----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:40:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.886560734632432 1.089206347982610 6.270333603333325 b -1.886560734632428 1.089206347982610 6.270333603333325 c 0.000000000000002 -2.178412695965224 6.270333603333325 Atomic positions (fractional): *1 O 0.37848475678229 0.37848475678229 0.37848475678229 15.999 2 O 0.62151524321771 0.62151524321772 0.62151524321771 15.999 *3 F 0.86983909353785 0.86983909353785 0.86983909353785 18.998 4 F 0.13016090646215 0.13016090646216 0.13016090646215 18.998 *5 Y 0.25872031123429 0.25872031123430 0.25872031123429 88.906 6 Y 0.74127968876571 0.74127968876571 0.74127968876571 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.773121469264860 0.000000000000000 0.000000000000000 b -1.886560734632430 3.267619043947834 0.000000000000000 c 0.000000000000000 0.000000000000000 18.811000809999996 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.71181809011562 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.95484857655105 15.999 > 2 3 O 0.33333333333333 0.66666666666667 0.04515142344895 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.28818190988438 15.999 > 2 5 O 0.00000000000000 0.00000000000000 0.37848475678229 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.62151524321771 15.999 > 2 *7 F 0.00000000000000 0.00000000000000 0.86983909353785 18.998 > 3 8 F 0.33333333333333 0.66666666666667 0.79682757312882 18.998 > 4 9 F 0.66666666666667 0.33333333333333 0.20317242687118 18.998 > 3 10 F 0.00000000000000 0.00000000000000 0.13016090646215 18.998 > 4 11 F 0.33333333333333 0.66666666666667 0.53650576020451 18.998 > 3 12 F 0.66666666666667 0.33333333333333 0.46349423979549 18.998 > 4 *13 Y 0.33333333333333 0.66666666666667 0.92538697790096 88.906 > 5 14 Y 0.00000000000000 0.00000000000000 0.74127968876571 88.906 > 6 15 Y 0.00000000000000 0.00000000000000 0.25872031123429 88.906 > 5 16 Y 0.66666666666667 0.33333333333333 0.07461302209904 88.906 > 6 17 Y 0.66666666666667 0.33333333333333 0.59205364456763 88.906 > 5 18 Y 0.33333333333333 0.66666666666667 0.40794635543237 88.906 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.546242938529720 0.000000000000000 0.000000000000000 b -3.773121469264860 6.535238087895668 0.000000000000000 c 0.000000000000000 0.000000000000000 18.811000809999996 Atomic positions (fractional): *1 O 0.33333333333333 0.16666666666667 0.71181809011562 15.999 > 1 2 O 0.83333333333333 0.16666666666667 0.71181809011562 15.999 > 1 3 O 0.33333333333333 0.66666666666667 0.71181809011562 15.999 > 1 4 O 0.83333333333333 0.66666666666667 0.71181809011562 15.999 > 1 5 O 0.33333333333333 0.16666666666667 0.95484857655105 15.999 > 2 6 O 0.83333333333333 0.16666666666667 0.95484857655105 15.999 > 2 7 O 0.33333333333333 0.66666666666667 0.95484857655105 15.999 > 2 8 O 0.83333333333333 0.66666666666667 0.95484857655105 15.999 > 2 9 O 0.16666666666667 0.33333333333333 0.04515142344895 15.999 > 1 10 O 0.66666666666667 0.33333333333333 0.04515142344895 15.999 > 1 11 O 0.16666666666667 0.83333333333333 0.04515142344895 15.999 > 1 12 O 0.66666666666667 0.83333333333333 0.04515142344895 15.999 > 1 13 O 0.16666666666667 0.33333333333333 0.28818190988438 15.999 > 2 14 O 0.66666666666667 0.33333333333333 0.28818190988438 15.999 > 2 15 O 0.16666666666667 0.83333333333333 0.28818190988438 15.999 > 2 16 O 0.66666666666667 0.83333333333333 0.28818190988438 15.999 > 2 17 O 0.00000000000000 0.00000000000000 0.37848475678229 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.37848475678229 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.37848475678229 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.37848475678229 15.999 > 1 21 O 0.00000000000000 0.00000000000000 0.62151524321771 15.999 > 2 22 O 0.50000000000000 0.00000000000000 0.62151524321771 15.999 > 2 23 O 0.00000000000000 0.50000000000000 0.62151524321771 15.999 > 2 24 O 0.50000000000000 0.50000000000000 0.62151524321771 15.999 > 2 *25 F 0.00000000000000 0.00000000000000 0.86983909353785 18.998 > 3 26 F 0.50000000000000 0.00000000000000 0.86983909353785 18.998 > 3 27 F 0.00000000000000 0.50000000000000 0.86983909353785 18.998 > 3 28 F 0.50000000000000 0.50000000000000 0.86983909353785 18.998 > 3 29 F 0.16666666666667 0.33333333333333 0.79682757312882 18.998 > 4 30 F 0.66666666666667 0.33333333333333 0.79682757312882 18.998 > 4 31 F 0.16666666666667 0.83333333333333 0.79682757312882 18.998 > 4 32 F 0.66666666666667 0.83333333333333 0.79682757312882 18.998 > 4 33 F 0.33333333333333 0.16666666666667 0.20317242687118 18.998 > 3 34 F 0.83333333333333 0.16666666666667 0.20317242687118 18.998 > 3 35 F 0.33333333333333 0.66666666666667 0.20317242687118 18.998 > 3 36 F 0.83333333333333 0.66666666666667 0.20317242687118 18.998 > 3 37 F 0.00000000000000 0.00000000000000 0.13016090646215 18.998 > 4 38 F 0.50000000000000 0.00000000000000 0.13016090646215 18.998 > 4 39 F 0.00000000000000 0.50000000000000 0.13016090646215 18.998 > 4 40 F 0.50000000000000 0.50000000000000 0.13016090646215 18.998 > 4 41 F 0.16666666666667 0.33333333333333 0.53650576020451 18.998 > 3 42 F 0.66666666666667 0.33333333333333 0.53650576020451 18.998 > 3 43 F 0.16666666666667 0.83333333333333 0.53650576020451 18.998 > 3 44 F 0.66666666666667 0.83333333333333 0.53650576020451 18.998 > 3 45 F 0.33333333333333 0.16666666666667 0.46349423979549 18.998 > 4 46 F 0.83333333333333 0.16666666666667 0.46349423979549 18.998 > 4 47 F 0.33333333333333 0.66666666666667 0.46349423979549 18.998 > 4 48 F 0.83333333333333 0.66666666666667 0.46349423979549 18.998 > 4 *49 Y 0.16666666666667 0.33333333333333 0.92538697790096 88.906 > 5 50 Y 0.66666666666667 0.33333333333333 0.92538697790096 88.906 > 5 51 Y 0.16666666666667 0.83333333333333 0.92538697790096 88.906 > 5 52 Y 0.66666666666667 0.83333333333333 0.92538697790096 88.906 > 5 53 Y 0.00000000000000 0.00000000000000 0.74127968876571 88.906 > 6 54 Y 0.50000000000000 0.00000000000000 0.74127968876571 88.906 > 6 55 Y 0.00000000000000 0.50000000000000 0.74127968876571 88.906 > 6 56 Y 0.50000000000000 0.50000000000000 0.74127968876571 88.906 > 6 57 Y 0.00000000000000 0.00000000000000 0.25872031123429 88.906 > 5 58 Y 0.50000000000000 0.00000000000000 0.25872031123429 88.906 > 5 59 Y 0.00000000000000 0.50000000000000 0.25872031123429 88.906 > 5 60 Y 0.50000000000000 0.50000000000000 0.25872031123429 88.906 > 5 61 Y 0.33333333333333 0.16666666666667 0.07461302209904 88.906 > 6 62 Y 0.83333333333333 0.16666666666667 0.07461302209904 88.906 > 6 63 Y 0.33333333333333 0.66666666666667 0.07461302209904 88.906 > 6 64 Y 0.83333333333333 0.66666666666667 0.07461302209904 88.906 > 6 65 Y 0.33333333333333 0.16666666666667 0.59205364456763 88.906 > 5 66 Y 0.83333333333333 0.16666666666667 0.59205364456763 88.906 > 5 67 Y 0.33333333333333 0.66666666666667 0.59205364456763 88.906 > 5 68 Y 0.83333333333333 0.66666666666667 0.59205364456763 88.906 > 5 69 Y 0.16666666666667 0.33333333333333 0.40794635543237 88.906 > 6 70 Y 0.66666666666667 0.33333333333333 0.40794635543237 88.906 > 6 71 Y 0.16666666666667 0.83333333333333 0.40794635543237 88.906 > 6 72 Y 0.66666666666667 0.83333333333333 0.40794635543237 88.906 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5630153 0.0000000 0.0000000 -0.0000000 3.5630153 0.0000000 0.0000000 0.0000000 3.3036754 -------------------------- Born effective charges -------------------------- 1 O -2.4156619 -0.0000000 0.0000000 0.0000000 -2.4156619 0.0000000 0.0000000 0.0000000 -1.8621339 2 O -2.4156619 -0.0000000 0.0000000 0.0000000 -2.4156619 0.0000000 0.0000000 0.0000000 -1.8621339 3 F -1.3527649 -0.0000000 0.0000000 0.0000000 -1.3527649 0.0000000 0.0000000 0.0000000 -1.6663267 4 F -1.3527649 -0.0000000 0.0000000 0.0000000 -1.3527649 0.0000000 0.0000000 0.0000000 -1.6663267 5 Y 3.7684268 0.0000000 0.0000000 -0.0000000 3.7684268 0.0000000 0.0000000 0.0000000 3.5284606 6 Y 3.7684268 0.0000000 0.0000000 -0.0000000 3.7684268 0.0000000 0.0000000 0.0000000 3.5284606 ---------------------------------------------------------------------------- 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: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 186 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.146 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.170 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 186 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), 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 19:40:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:40:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.886560734632432 1.089206347982610 6.270333603333325 b -1.886560734632428 1.089206347982610 6.270333603333325 c 0.000000000000002 -2.178412695965224 6.270333603333325 Atomic positions (fractional): 1 O 0.37848475678229 0.37848475678229 0.37848475678229 15.999 2 O 0.62151524321771 0.62151524321772 0.62151524321771 15.999 3 F 0.86983909353785 0.86983909353785 0.86983909353785 18.998 4 F 0.13016090646215 0.13016090646216 0.13016090646215 18.998 5 Y 0.25872031123429 0.25872031123430 0.25872031123429 88.906 6 Y 0.74127968876571 0.74127968876571 0.74127968876571 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.546242938529720 0.000000000000000 0.000000000000000 b -3.773121469264860 6.535238087895668 0.000000000000000 c 0.000000000000000 0.000000000000000 18.811000809999996 Atomic positions (fractional): 1 O 0.33333333333333 0.16666666666667 0.71181809011562 15.999 > 1 2 O 0.83333333333333 0.16666666666667 0.71181809011562 15.999 > 1 3 O 0.33333333333333 0.66666666666667 0.71181809011562 15.999 > 1 4 O 0.83333333333333 0.66666666666667 0.71181809011562 15.999 > 1 5 O 0.33333333333333 0.16666666666667 0.95484857655105 15.999 > 5 6 O 0.83333333333333 0.16666666666667 0.95484857655105 15.999 > 5 7 O 0.33333333333333 0.66666666666667 0.95484857655105 15.999 > 5 8 O 0.83333333333333 0.66666666666667 0.95484857655105 15.999 > 5 9 O 0.16666666666667 0.33333333333333 0.04515142344895 15.999 > 1 10 O 0.66666666666667 0.33333333333333 0.04515142344895 15.999 > 1 11 O 0.16666666666667 0.83333333333333 0.04515142344895 15.999 > 1 12 O 0.66666666666667 0.83333333333333 0.04515142344895 15.999 > 1 13 O 0.16666666666667 0.33333333333333 0.28818190988438 15.999 > 5 14 O 0.66666666666667 0.33333333333333 0.28818190988438 15.999 > 5 15 O 0.16666666666667 0.83333333333333 0.28818190988438 15.999 > 5 16 O 0.66666666666667 0.83333333333333 0.28818190988438 15.999 > 5 17 O 0.00000000000000 0.00000000000000 0.37848475678229 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.37848475678229 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.37848475678229 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.37848475678229 15.999 > 1 21 O 0.00000000000000 0.00000000000000 0.62151524321771 15.999 > 5 22 O 0.50000000000000 0.00000000000000 0.62151524321771 15.999 > 5 23 O 0.00000000000000 0.50000000000000 0.62151524321771 15.999 > 5 24 O 0.50000000000000 0.50000000000000 0.62151524321771 15.999 > 5 25 F 0.00000000000000 0.00000000000000 0.86983909353785 18.998 > 25 26 F 0.50000000000000 0.00000000000000 0.86983909353785 18.998 > 25 27 F 0.00000000000000 0.50000000000000 0.86983909353785 18.998 > 25 28 F 0.50000000000000 0.50000000000000 0.86983909353785 18.998 > 25 29 F 0.16666666666667 0.33333333333333 0.79682757312882 18.998 > 29 30 F 0.66666666666667 0.33333333333333 0.79682757312882 18.998 > 29 31 F 0.16666666666667 0.83333333333333 0.79682757312882 18.998 > 29 32 F 0.66666666666667 0.83333333333333 0.79682757312882 18.998 > 29 33 F 0.33333333333333 0.16666666666667 0.20317242687118 18.998 > 25 34 F 0.83333333333333 0.16666666666667 0.20317242687118 18.998 > 25 35 F 0.33333333333333 0.66666666666667 0.20317242687118 18.998 > 25 36 F 0.83333333333333 0.66666666666667 0.20317242687118 18.998 > 25 37 F 0.00000000000000 0.00000000000000 0.13016090646215 18.998 > 29 38 F 0.50000000000000 0.00000000000000 0.13016090646215 18.998 > 29 39 F 0.00000000000000 0.50000000000000 0.13016090646215 18.998 > 29 40 F 0.50000000000000 0.50000000000000 0.13016090646215 18.998 > 29 41 F 0.16666666666667 0.33333333333333 0.53650576020451 18.998 > 25 42 F 0.66666666666667 0.33333333333333 0.53650576020451 18.998 > 25 43 F 0.16666666666667 0.83333333333333 0.53650576020451 18.998 > 25 44 F 0.66666666666667 0.83333333333333 0.53650576020451 18.998 > 25 45 F 0.33333333333333 0.16666666666667 0.46349423979549 18.998 > 29 46 F 0.83333333333333 0.16666666666667 0.46349423979549 18.998 > 29 47 F 0.33333333333333 0.66666666666667 0.46349423979549 18.998 > 29 48 F 0.83333333333333 0.66666666666667 0.46349423979549 18.998 > 29 49 Y 0.16666666666667 0.33333333333333 0.92538697790096 88.906 > 49 50 Y 0.66666666666667 0.33333333333333 0.92538697790096 88.906 > 49 51 Y 0.16666666666667 0.83333333333333 0.92538697790096 88.906 > 49 52 Y 0.66666666666667 0.83333333333333 0.92538697790096 88.906 > 49 53 Y 0.00000000000000 0.00000000000000 0.74127968876571 88.906 > 53 54 Y 0.50000000000000 0.00000000000000 0.74127968876571 88.906 > 53 55 Y 0.00000000000000 0.50000000000000 0.74127968876571 88.906 > 53 56 Y 0.50000000000000 0.50000000000000 0.74127968876571 88.906 > 53 57 Y 0.00000000000000 0.00000000000000 0.25872031123429 88.906 > 49 58 Y 0.50000000000000 0.00000000000000 0.25872031123429 88.906 > 49 59 Y 0.00000000000000 0.50000000000000 0.25872031123429 88.906 > 49 60 Y 0.50000000000000 0.50000000000000 0.25872031123429 88.906 > 49 61 Y 0.33333333333333 0.16666666666667 0.07461302209904 88.906 > 53 62 Y 0.83333333333333 0.16666666666667 0.07461302209904 88.906 > 53 63 Y 0.33333333333333 0.66666666666667 0.07461302209904 88.906 > 53 64 Y 0.83333333333333 0.66666666666667 0.07461302209904 88.906 > 53 65 Y 0.33333333333333 0.16666666666667 0.59205364456763 88.906 > 49 66 Y 0.83333333333333 0.16666666666667 0.59205364456763 88.906 > 49 67 Y 0.33333333333333 0.66666666666667 0.59205364456763 88.906 > 49 68 Y 0.83333333333333 0.66666666666667 0.59205364456763 88.906 > 49 69 Y 0.16666666666667 0.33333333333333 0.40794635543237 88.906 > 53 70 Y 0.66666666666667 0.33333333333333 0.40794635543237 88.906 > 53 71 Y 0.16666666666667 0.83333333333333 0.40794635543237 88.906 > 53 72 Y 0.66666666666667 0.83333333333333 0.40794635543237 88.906 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5630153 0.0000000 0.0000000 -0.0000000 3.5630153 0.0000000 0.0000000 0.0000000 3.3036754 -------------------------- Born effective charges -------------------------- 1 O -2.4156619 -0.0000000 0.0000000 0.0000000 -2.4156619 0.0000000 0.0000000 0.0000000 -1.8621339 2 O -2.4156619 -0.0000000 0.0000000 0.0000000 -2.4156619 0.0000000 0.0000000 0.0000000 -1.8621339 3 F -1.3527649 -0.0000000 0.0000000 0.0000000 -1.3527649 0.0000000 0.0000000 0.0000000 -1.6663267 4 F -1.3527649 -0.0000000 0.0000000 0.0000000 -1.3527649 0.0000000 0.0000000 0.0000000 -1.6663267 5 Y 3.7684268 0.0000000 0.0000000 -0.0000000 3.7684268 0.0000000 0.0000000 0.0000000 3.5284606 6 Y 3.7684268 0.0000000 0.0000000 -0.0000000 3.7684268 0.0000000 0.0000000 0.0000000 3.5284606 ---------------------------------------------------------------------------- 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[ 25, 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: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 19:40:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:40:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.886560734632432 1.089206347982610 6.270333603333325 b -1.886560734632428 1.089206347982610 6.270333603333325 c 0.000000000000002 -2.178412695965224 6.270333603333325 Atomic positions (fractional): 1 O 0.37848475678229 0.37848475678229 0.37848475678229 15.999 2 O 0.62151524321771 0.62151524321772 0.62151524321771 15.999 3 F 0.86983909353785 0.86983909353785 0.86983909353785 18.998 4 F 0.13016090646215 0.13016090646216 0.13016090646215 18.998 5 Y 0.25872031123429 0.25872031123430 0.25872031123429 88.906 6 Y 0.74127968876571 0.74127968876571 0.74127968876571 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.546242938529720 0.000000000000000 0.000000000000000 b -3.773121469264860 6.535238087895668 0.000000000000000 c 0.000000000000000 0.000000000000000 18.811000809999996 Atomic positions (fractional): 1 O 0.33333333333333 0.16666666666667 0.71181809011562 15.999 > 1 2 O 0.83333333333333 0.16666666666667 0.71181809011562 15.999 > 1 3 O 0.33333333333333 0.66666666666667 0.71181809011562 15.999 > 1 4 O 0.83333333333333 0.66666666666667 0.71181809011562 15.999 > 1 5 O 0.33333333333333 0.16666666666667 0.95484857655105 15.999 > 5 6 O 0.83333333333333 0.16666666666667 0.95484857655105 15.999 > 5 7 O 0.33333333333333 0.66666666666667 0.95484857655105 15.999 > 5 8 O 0.83333333333333 0.66666666666667 0.95484857655105 15.999 > 5 9 O 0.16666666666667 0.33333333333333 0.04515142344895 15.999 > 1 10 O 0.66666666666667 0.33333333333333 0.04515142344895 15.999 > 1 11 O 0.16666666666667 0.83333333333333 0.04515142344895 15.999 > 1 12 O 0.66666666666667 0.83333333333333 0.04515142344895 15.999 > 1 13 O 0.16666666666667 0.33333333333333 0.28818190988438 15.999 > 5 14 O 0.66666666666667 0.33333333333333 0.28818190988438 15.999 > 5 15 O 0.16666666666667 0.83333333333333 0.28818190988438 15.999 > 5 16 O 0.66666666666667 0.83333333333333 0.28818190988438 15.999 > 5 17 O 0.00000000000000 0.00000000000000 0.37848475678229 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.37848475678229 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.37848475678229 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.37848475678229 15.999 > 1 21 O 0.00000000000000 0.00000000000000 0.62151524321771 15.999 > 5 22 O 0.50000000000000 0.00000000000000 0.62151524321771 15.999 > 5 23 O 0.00000000000000 0.50000000000000 0.62151524321771 15.999 > 5 24 O 0.50000000000000 0.50000000000000 0.62151524321771 15.999 > 5 25 F 0.00000000000000 0.00000000000000 0.86983909353785 18.998 > 25 26 F 0.50000000000000 0.00000000000000 0.86983909353785 18.998 > 25 27 F 0.00000000000000 0.50000000000000 0.86983909353785 18.998 > 25 28 F 0.50000000000000 0.50000000000000 0.86983909353785 18.998 > 25 29 F 0.16666666666667 0.33333333333333 0.79682757312882 18.998 > 29 30 F 0.66666666666667 0.33333333333333 0.79682757312882 18.998 > 29 31 F 0.16666666666667 0.83333333333333 0.79682757312882 18.998 > 29 32 F 0.66666666666667 0.83333333333333 0.79682757312882 18.998 > 29 33 F 0.33333333333333 0.16666666666667 0.20317242687118 18.998 > 25 34 F 0.83333333333333 0.16666666666667 0.20317242687118 18.998 > 25 35 F 0.33333333333333 0.66666666666667 0.20317242687118 18.998 > 25 36 F 0.83333333333333 0.66666666666667 0.20317242687118 18.998 > 25 37 F 0.00000000000000 0.00000000000000 0.13016090646215 18.998 > 29 38 F 0.50000000000000 0.00000000000000 0.13016090646215 18.998 > 29 39 F 0.00000000000000 0.50000000000000 0.13016090646215 18.998 > 29 40 F 0.50000000000000 0.50000000000000 0.13016090646215 18.998 > 29 41 F 0.16666666666667 0.33333333333333 0.53650576020451 18.998 > 25 42 F 0.66666666666667 0.33333333333333 0.53650576020451 18.998 > 25 43 F 0.16666666666667 0.83333333333333 0.53650576020451 18.998 > 25 44 F 0.66666666666667 0.83333333333333 0.53650576020451 18.998 > 25 45 F 0.33333333333333 0.16666666666667 0.46349423979549 18.998 > 29 46 F 0.83333333333333 0.16666666666667 0.46349423979549 18.998 > 29 47 F 0.33333333333333 0.66666666666667 0.46349423979549 18.998 > 29 48 F 0.83333333333333 0.66666666666667 0.46349423979549 18.998 > 29 49 Y 0.16666666666667 0.33333333333333 0.92538697790096 88.906 > 49 50 Y 0.66666666666667 0.33333333333333 0.92538697790096 88.906 > 49 51 Y 0.16666666666667 0.83333333333333 0.92538697790096 88.906 > 49 52 Y 0.66666666666667 0.83333333333333 0.92538697790096 88.906 > 49 53 Y 0.00000000000000 0.00000000000000 0.74127968876571 88.906 > 53 54 Y 0.50000000000000 0.00000000000000 0.74127968876571 88.906 > 53 55 Y 0.00000000000000 0.50000000000000 0.74127968876571 88.906 > 53 56 Y 0.50000000000000 0.50000000000000 0.74127968876571 88.906 > 53 57 Y 0.00000000000000 0.00000000000000 0.25872031123429 88.906 > 49 58 Y 0.50000000000000 0.00000000000000 0.25872031123429 88.906 > 49 59 Y 0.00000000000000 0.50000000000000 0.25872031123429 88.906 > 49 60 Y 0.50000000000000 0.50000000000000 0.25872031123429 88.906 > 49 61 Y 0.33333333333333 0.16666666666667 0.07461302209904 88.906 > 53 62 Y 0.83333333333333 0.16666666666667 0.07461302209904 88.906 > 53 63 Y 0.33333333333333 0.66666666666667 0.07461302209904 88.906 > 53 64 Y 0.83333333333333 0.66666666666667 0.07461302209904 88.906 > 53 65 Y 0.33333333333333 0.16666666666667 0.59205364456763 88.906 > 49 66 Y 0.83333333333333 0.16666666666667 0.59205364456763 88.906 > 49 67 Y 0.33333333333333 0.66666666666667 0.59205364456763 88.906 > 49 68 Y 0.83333333333333 0.66666666666667 0.59205364456763 88.906 > 49 69 Y 0.16666666666667 0.33333333333333 0.40794635543237 88.906 > 53 70 Y 0.66666666666667 0.33333333333333 0.40794635543237 88.906 > 53 71 Y 0.16666666666667 0.83333333333333 0.40794635543237 88.906 > 53 72 Y 0.66666666666667 0.83333333333333 0.40794635543237 88.906 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5630153 0.0000000 0.0000000 -0.0000000 3.5630153 0.0000000 0.0000000 0.0000000 3.3036754 -------------------------- Born effective charges -------------------------- 1 O -2.4156619 -0.0000000 0.0000000 0.0000000 -2.4156619 0.0000000 0.0000000 0.0000000 -1.8621339 2 O -2.4156619 -0.0000000 0.0000000 0.0000000 -2.4156619 0.0000000 0.0000000 0.0000000 -1.8621339 3 F -1.3527649 -0.0000000 0.0000000 0.0000000 -1.3527649 0.0000000 0.0000000 0.0000000 -1.6663267 4 F -1.3527649 -0.0000000 0.0000000 0.0000000 -1.3527649 0.0000000 0.0000000 0.0000000 -1.6663267 5 Y 3.7684268 0.0000000 0.0000000 -0.0000000 3.7684268 0.0000000 0.0000000 0.0000000 3.5284606 6 Y 3.7684268 0.0000000 0.0000000 -0.0000000 3.7684268 0.0000000 0.0000000 0.0000000 3.5284606 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) 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 ... [ 16 16 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: 0.97, Number of G-points: 325, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 417 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 4.067 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 6.853 ( 0.000 0.000 0.000) 0.000 6.853 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 9.080 ( 0.000 0.000 0.000) 0.000 9.080 ( 0.000 0.000 0.000) 0.000 10.610 ( 0.000 0.000 0.000) 0.000 12.400 ( 0.000 0.000 0.000) 0.000 12.400 ( 0.000 0.000 0.000) 0.000 13.831 ( 0.000 0.000 0.000) 0.000 13.831 ( 0.000 0.000 0.000) 0.000 14.105 ( 0.000 0.000 0.000) 0.000 14.470 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 31.423 18.142 -4.388) 36.548 0.732 ( 33.555 19.373 -6.192) 39.237 1.362 ( 57.418 33.150 22.366) 69.971 4.113 ( 3.946 2.278 0.653) 4.603 4.276 ( 18.427 10.639 -2.550) 21.429 6.835 ( -1.541 -0.890 -0.176) 1.788 6.993 ( -3.356 -1.938 -1.889) 4.311 7.196 ( 0.015 0.009 -9.109) 9.109 8.603 ( -24.390 -14.081 -20.870) 35.053 9.094 ( 1.023 0.591 1.285) 1.745 9.463 ( 0.889 0.513 42.906) 42.918 10.659 ( 4.167 2.406 -1.515) 5.044 12.353 ( -3.946 -2.278 -1.552) 4.814 13.601 ( -16.224 -9.367 -2.163) 18.858 13.831 ( -0.153 -0.088 0.915) 0.932 14.022 ( -5.247 -3.029 -9.215) 11.029 14.662 ( 15.597 9.005 -4.782) 18.633 17.746 ( -0.159 -0.092 -6.726) 6.728 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 32.738 18.901 -4.112) 38.026 1.430 ( 31.213 18.021 -5.400) 36.444 2.665 ( 53.461 30.866 21.841) 65.482 4.238 ( 6.898 3.983 0.868) 8.012 4.804 ( 28.887 16.678 -5.207) 33.760 6.785 ( -2.917 -1.684 -0.213) 3.374 6.848 ( -9.906 -5.719 -3.306) 11.906 7.152 ( -2.229 -1.287 -2.416) 3.530 7.994 ( -21.403 -12.357 -26.066) 35.920 9.132 ( 1.762 1.017 2.406) 3.151 9.505 ( -6.907 -3.988 27.115) 28.263 10.744 ( 3.041 1.756 -2.610) 4.375 12.221 ( -7.118 -4.110 -2.809) 8.686 13.204 ( -18.273 -10.550 -1.781) 21.175 13.828 ( -9.402 -5.428 -7.731) 13.327 13.830 ( -0.273 -0.158 1.573) 1.605 14.996 ( 14.397 8.312 1.279) 16.674 17.700 ( -3.176 -1.834 0.275) 3.678 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 27.636 15.956 -4.061) 32.169 2.075 ( 32.826 18.952 -3.474) 38.063 3.845 ( 46.398 26.788 20.966) 57.532 4.411 ( 8.240 4.757 0.404) 9.523 5.429 ( 26.977 15.575 -10.956) 33.021 6.531 ( -15.939 -9.202 2.248) 18.541 6.707 ( -4.020 -2.321 -0.002) 4.642 7.080 ( -4.399 -2.540 2.578) 5.696 7.576 ( -7.521 -4.342 -27.489) 28.829 9.185 ( 2.106 1.216 3.140) 3.972 9.372 ( -11.152 -6.439 17.507) 21.733 10.732 ( -3.485 -2.012 -6.860) 7.954 12.030 ( -8.996 -5.194 -3.538) 10.973 12.807 ( -16.885 -9.749 -0.166) 19.498 13.576 ( -10.893 -6.289 -5.603) 13.770 13.829 ( -0.287 -0.166 1.839) 1.869 15.288 ( 11.369 6.564 1.844) 13.256 17.603 ( -6.191 -3.575 3.470) 7.947 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 23.274 13.437 -2.304) 26.973 2.780 ( 31.720 18.314 -2.472) 36.710 4.591 ( 7.805 4.506 -0.678) 9.038 4.821 ( 34.973 20.192 18.953) 44.610 5.637 ( -6.590 -3.805 -13.331) 15.350 6.497 ( 14.237 8.220 13.770) 21.444 6.611 ( -4.680 -2.702 0.474) 5.425 6.967 ( -6.211 -3.586 -0.023) 7.172 7.461 ( 4.086 2.359 -23.269) 23.742 9.155 ( -12.155 -7.018 10.285) 17.401 9.242 ( 2.100 1.213 3.273) 4.074 10.523 ( -12.386 -7.151 -14.436) 20.321 11.812 ( -9.409 -5.433 -3.610) 11.449 12.475 ( -13.134 -7.583 1.862) 15.280 13.327 ( -10.105 -5.834 -2.657) 11.967 13.830 ( -0.141 -0.081 1.728) 1.736 15.506 ( 7.841 4.527 1.150) 9.127 17.453 ( -8.559 -4.941 5.092) 11.118 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 18.499 10.681 -0.491) 21.367 3.454 ( 29.806 17.209 -1.226) 34.439 4.739 ( 5.843 3.374 -1.973) 7.030 5.322 ( -2.535 -1.464 3.152) 4.301 5.565 ( 13.572 7.836 16.317) 22.624 6.509 ( -4.580 -2.644 1.042) 5.390 6.756 ( -7.426 -4.287 6.850) 10.975 6.987 ( 17.842 10.301 -4.718) 21.135 7.590 ( 12.635 7.295 -12.365) 19.125 8.926 ( -10.346 -5.973 4.481) 12.759 9.296 ( 1.819 1.050 2.774) 3.479 10.104 ( -19.265 -11.122 -21.955) 31.254 11.601 ( -8.462 -4.886 -3.061) 10.239 12.243 ( -8.796 -5.078 2.989) 10.588 13.122 ( -8.008 -4.623 0.105) 9.247 13.835 ( 0.101 0.058 1.362) 1.367 15.644 ( 4.607 2.660 0.155) 5.321 17.270 ( -9.346 -5.396 5.507) 12.116 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.429 ( 13.301 7.679 0.809) 15.380 4.085 ( 27.393 15.815 0.205) 31.631 4.831 ( 3.134 1.809 -2.728) 4.532 5.313 ( 2.699 1.558 12.898) 13.269 5.810 ( 0.424 0.245 12.783) 12.792 6.422 ( -3.535 -2.041 1.318) 4.289 6.575 ( -7.052 -4.071 -2.867) 8.632 7.336 ( 12.880 7.436 1.107) 14.914 7.877 ( 13.666 7.890 -5.250) 16.630 8.747 ( -6.262 -3.615 1.740) 7.437 9.339 ( 1.313 0.758 1.875) 2.411 9.578 ( -19.787 -11.424 -25.463) 34.211 11.427 ( -6.373 -3.679 -2.110) 7.655 12.097 ( -5.398 -3.117 2.589) 6.750 12.977 ( -5.369 -3.100 1.555) 6.392 13.843 ( 0.270 0.156 0.895) 0.948 15.717 ( 2.204 1.272 -0.545) 2.602 17.091 ( -8.021 -4.631 4.735) 10.402 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 7.211 4.163 0.996) 8.386 4.664 ( 24.722 14.273 1.713) 28.598 4.865 ( 0.952 0.550 -2.098) 2.369 5.465 ( 2.355 1.359 6.444) 6.994 5.701 ( -8.831 -5.098 12.545) 16.167 6.366 ( -1.849 -1.067 0.941) 2.333 6.457 ( -3.146 -1.816 -3.082) 4.764 7.553 ( 6.126 3.537 2.793) 7.605 8.061 ( 3.733 2.155 -6.993) 8.215 8.693 ( 0.674 0.389 7.459) 7.499 9.128 ( -12.610 -7.280 -22.176) 26.529 9.366 ( 0.672 0.388 0.900) 1.188 11.312 ( -3.422 -1.976 -1.040) 4.086 12.016 ( -2.634 -1.521 1.390) 3.344 12.894 ( -2.642 -1.525 1.337) 3.331 13.851 ( 0.227 0.131 0.433) 0.506 15.746 ( 0.777 0.448 -0.572) 1.064 16.961 ( -4.654 -2.687 2.781) 6.052 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.744 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 -0.000) 0.000 5.131 ( 0.000 0.000 -0.000) 0.000 5.239 ( -0.000 -0.000 0.000) 0.000 5.718 ( -0.000 -0.000 -0.000) 0.000 6.347 ( 0.000 0.000 -0.000) 0.000 6.410 ( 0.000 0.000 -0.000) 0.000 7.625 ( 0.000 0.000 -0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.769 ( 0.000 0.000 -0.000) 0.000 8.914 ( 0.000 0.000 0.000) 0.000 9.375 ( 0.000 0.000 0.000) 0.000 11.272 ( 0.000 0.000 0.000) 0.000 11.989 ( 0.000 0.000 -0.000) 0.000 12.867 ( 0.000 0.000 0.000) 0.000 13.855 ( 0.000 0.000 0.000) 0.000 15.753 ( 0.000 0.000 -0.000) 0.000 16.913 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.000 35.521 19.736) 40.635 0.879 ( 0.000 37.287 21.727) 43.155 1.266 ( -0.000 63.027 7.047) 63.419 4.095 ( -0.000 3.909 -3.042) 4.953 4.285 ( -0.000 21.856 -0.627) 21.865 6.837 ( 0.000 -1.748 0.102) 1.751 6.988 ( -0.000 -3.336 -3.002) 4.488 7.129 ( -0.000 1.640 -17.294) 17.371 9.022 ( 0.000 -17.216 30.794) 35.280 9.077 ( -0.000 0.484 -2.121) 2.175 9.230 ( 0.000 -17.975 20.015) 26.902 10.648 ( -0.000 4.686 -3.677) 5.956 12.372 ( 0.000 -3.750 2.317) 4.408 13.577 ( -0.000 -17.523 -7.630) 19.112 13.820 ( -0.000 -0.621 -1.234) 1.382 13.994 ( -0.000 -3.601 -12.354) 12.868 14.693 ( -0.000 23.509 0.513) 23.514 17.660 ( -0.000 1.521 -20.910) 20.965 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 7.122 31.024 17.070) 36.119 1.488 ( 11.769 41.767 -0.083) 43.393 2.287 ( 40.803 45.579 18.954) 64.043 4.214 ( 6.962 7.063 -3.141) 10.403 4.604 ( 12.117 25.945 -2.709) 28.763 6.796 ( -1.972 -3.095 -0.170) 3.674 6.903 ( -4.362 -5.387 -3.458) 7.746 7.103 ( 2.213 -2.397 -11.717) 12.163 8.356 ( -39.682 -8.675 -0.230) 40.620 9.032 ( 4.177 -7.546 6.660) 10.897 9.526 ( 12.553 -10.943 16.203) 23.235 10.711 ( 2.868 4.293 -4.209) 6.661 12.283 ( -5.677 -4.816 0.614) 7.470 13.296 ( -9.911 -17.781 -4.065) 20.759 13.796 ( -1.184 -3.362 -3.223) 4.806 13.876 ( -3.335 -4.759 -6.944) 9.055 14.973 ( 5.764 18.602 7.772) 20.968 17.639 ( 3.689 -4.800 -11.045) 12.595 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 22.883 25.250 7.750) 34.947 2.069 ( 13.438 36.801 -2.751) 39.274 3.442 ( 43.027 33.577 19.728) 58.034 4.408 ( 6.144 12.706 -1.469) 14.190 5.119 ( 22.373 20.886 -8.050) 31.648 6.684 ( -10.325 -6.790 -0.504) 12.368 6.733 ( -4.028 -5.704 -0.490) 7.000 7.075 ( 1.809 -3.634 -6.690) 7.825 7.713 ( -25.923 -5.533 -10.299) 28.438 9.064 ( 5.556 -7.945 6.132) 11.472 9.556 ( -3.227 -4.631 10.747) 12.139 10.746 ( -1.148 0.956 -6.045) 6.227 12.113 ( -8.341 -5.665 -1.380) 10.177 12.926 ( -13.030 -16.473 -0.686) 21.015 13.620 ( -7.031 -9.697 -7.786) 14.286 13.841 ( 0.317 0.346 0.345) 0.583 15.257 ( 5.897 14.218 7.468) 17.109 17.590 ( 0.803 -8.516 -3.680) 9.312 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 25.510 23.040 3.359) 34.538 2.618 ( 15.813 29.661 -2.352) 33.696 4.363 ( 26.918 12.309 9.756) 31.166 4.723 ( 15.088 26.909 7.176) 31.674 5.542 ( 11.138 6.288 -15.461) 20.065 6.467 ( -4.650 -2.731 10.958) 12.213 6.640 ( -1.054 -4.273 -0.522) 4.432 7.048 ( -1.770 -1.938 2.185) 3.415 7.348 ( -6.900 -3.778 -18.568) 20.166 9.084 ( 3.129 -8.275 4.693) 10.015 9.460 ( -8.736 2.299 6.599) 11.187 10.614 ( -10.003 -3.882 -11.948) 16.059 11.900 ( -9.411 -6.121 -2.549) 11.512 12.573 ( -11.309 -14.403 1.893) 18.410 13.381 ( -7.239 -9.893 -5.192) 13.313 13.860 ( -0.136 2.443 0.968) 2.631 15.479 ( 4.289 9.849 5.463) 12.052 17.477 ( -2.370 -11.032 0.649) 11.302 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 16.696 22.791 1.625) 28.299 3.178 ( 23.682 22.237 -1.372) 32.515 4.673 ( 7.570 5.848 -1.247) 9.647 5.325 ( 10.752 14.292 3.094) 18.150 5.551 ( 2.475 6.559 7.796) 10.485 6.454 ( 1.106 -11.513 4.848) 12.541 6.763 ( 13.906 4.277 -3.189) 14.894 6.945 ( -11.415 4.105 8.126) 14.601 7.329 ( 14.842 -2.424 -14.597) 20.958 9.014 ( -4.603 -5.874 1.599) 7.632 9.401 ( -5.636 6.555 5.426) 10.206 10.262 ( -18.668 -8.124 -19.401) 28.123 11.679 ( -8.648 -5.988 -3.204) 10.996 12.299 ( -7.782 -11.926 3.670) 14.706 13.170 ( -5.817 -8.676 -2.056) 10.646 13.888 ( -1.273 5.168 1.001) 5.416 15.622 ( 2.494 5.515 3.108) 6.804 17.312 ( -4.351 -12.508 2.975) 13.573 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( 9.615 19.228 1.801) 21.573 3.796 ( 26.511 18.926 -1.348) 32.601 4.805 ( 3.391 5.120 -2.776) 6.739 5.357 ( -0.687 2.995 6.517) 7.205 5.867 ( 3.753 10.563 14.396) 18.246 6.363 ( 1.396 -12.720 2.862) 13.112 6.683 ( -10.348 -2.444 -7.497) 13.010 7.145 ( 15.801 4.882 4.549) 17.152 7.618 ( 20.484 1.875 -3.729) 20.905 8.863 ( -8.475 -1.170 -1.012) 8.615 9.413 ( -3.685 6.614 5.654) 9.449 9.757 ( -21.917 -8.323 -24.002) 33.552 11.490 ( -6.601 -4.311 -3.403) 8.588 12.103 ( -4.358 -11.169 3.902) 12.608 13.012 ( -3.962 -6.606 0.051) 7.703 13.922 ( -2.763 8.087 0.807) 8.584 15.693 ( 1.400 1.576 1.053) 2.356 17.127 ( -4.435 -12.609 3.697) 13.868 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 4.581 14.908 1.824) 15.703 4.383 ( 24.585 14.819 -1.741) 28.759 4.879 ( 1.293 5.320 -2.358) 5.962 5.481 ( 3.958 7.241 9.796) 12.809 5.883 ( -10.972 0.728 7.832) 13.500 6.287 ( 3.000 -12.476 2.343) 13.043 6.496 ( -6.317 -1.846 -5.161) 8.363 7.440 ( 12.626 2.197 4.149) 13.471 7.910 ( 13.221 -0.855 -3.360) 13.668 8.736 ( -4.656 -0.643 0.040) 4.700 9.252 ( -17.490 -3.727 -13.900) 22.649 9.467 ( -4.237 8.320 -0.768) 9.369 11.361 ( -4.491 -1.142 -2.921) 5.478 11.963 ( -0.420 -12.067 2.847) 12.406 12.911 ( -2.170 -4.265 0.389) 4.801 13.953 ( -4.509 10.512 0.539) 11.451 15.716 ( 1.355 -1.469 -0.188) 2.008 16.963 ( -2.451 -11.261 2.943) 11.894 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( -1.700 10.453 0.546) 10.604 4.778 ( 10.234 -0.782 -2.018) 10.461 5.031 ( 10.568 13.802 -0.440) 17.389 5.469 ( -16.500 3.394 -5.476) 17.713 5.767 ( -3.921 1.886 6.603) 7.908 6.243 ( 4.807 -11.388 0.769) 12.385 6.399 ( -1.174 -2.238 -1.971) 3.205 7.600 ( 3.995 -0.106 0.990) 4.117 8.012 ( 4.765 -3.187 -0.868) 5.798 8.704 ( 2.324 -5.358 1.840) 6.124 9.014 ( -7.956 6.830 -3.210) 10.966 9.484 ( -4.768 8.939 2.944) 10.550 11.301 ( -2.467 2.222 -1.662) 3.713 11.881 ( 4.147 -12.586 0.980) 13.288 12.859 ( -0.335 -2.314 -0.743) 2.453 13.973 ( -6.194 11.681 0.256) 13.224 15.718 ( 1.931 -3.080 -0.375) 3.654 16.862 ( 1.268 -8.843 0.910) 8.980 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.803 ( -8.634 6.045 -1.158) 10.603 4.785 ( -4.446 -8.405 -0.914) 9.553 5.024 ( -15.935 -1.089 -1.996) 16.097 5.479 ( 5.237 14.625 -2.810) 15.787 5.651 ( -5.792 1.297 -16.134) 17.191 6.231 ( 6.923 -10.790 -1.567) 12.915 6.425 ( 3.753 1.194 2.815) 4.841 7.582 ( -3.022 -4.289 -1.951) 5.598 8.053 ( 2.580 -5.733 6.756) 9.228 8.693 ( 0.326 0.210 0.343) 0.518 9.090 ( 5.442 8.084 10.520) 14.340 9.498 ( -5.782 9.528 5.936) 12.627 11.310 ( 0.067 4.257 0.071) 4.258 11.870 ( 8.162 -10.932 -1.264) 13.701 12.851 ( 1.987 -1.040 -2.339) 3.240 13.972 ( -7.218 11.161 -0.043) 13.292 15.721 ( 1.984 -3.095 0.216) 3.683 16.848 ( 5.917 -6.072 -1.816) 8.671 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( -14.849 2.748 -1.536) 15.179 4.382 ( -24.945 -12.361 -2.193) 27.926 4.902 ( -4.520 1.556 2.282) 5.297 5.343 ( -8.154 -0.388 -16.947) 18.811 5.788 ( 3.554 10.306 -10.613) 15.214 6.260 ( 9.564 -10.115 -3.005) 14.242 6.536 ( 5.012 5.515 1.922) 7.696 7.412 ( -8.067 -10.296 -1.186) 13.133 7.953 ( -6.290 -13.516 5.650) 15.943 8.758 ( 0.866 8.694 4.271) 9.724 9.332 ( 6.657 5.213 2.731) 8.885 9.579 ( 3.196 13.316 20.476) 24.633 11.384 ( 3.464 4.513 1.649) 5.923 11.932 ( 10.648 -7.126 -3.205) 13.207 12.893 ( 5.126 -0.228 -3.188) 6.041 13.949 ( -7.116 9.242 -0.360) 11.670 15.721 ( 0.504 -2.136 0.878) 2.364 16.927 ( 10.254 -3.625 -4.299) 11.694 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.362 ( -20.694 0.619 -0.258) 20.705 3.803 ( -29.161 -12.926 -0.465) 31.901 4.829 ( -6.364 -0.671 1.890) 6.672 5.279 ( 3.413 5.855 -8.607) 10.955 5.723 ( -13.985 1.707 -13.794) 19.717 6.328 ( 10.999 -9.393 -4.015) 15.011 6.709 ( 6.199 9.952 -3.441) 12.219 7.128 ( -11.689 -14.406 1.949) 18.654 7.683 ( -9.206 -16.402 9.041) 20.869 8.885 ( 1.911 9.575 3.171) 10.266 9.369 ( -3.604 4.912 -2.979) 6.782 9.998 ( 16.681 13.606 23.745) 32.050 11.521 ( 7.110 4.071 2.579) 8.590 12.062 ( 12.350 -2.920 -4.030) 13.315 13.000 ( 8.795 0.560 -2.466) 9.151 13.914 ( -5.957 6.678 -0.683) 8.975 15.693 ( -2.624 -1.170 1.060) 3.062 17.079 ( 12.968 -1.898 -5.759) 14.316 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -27.652 -4.616 1.405) 28.070 3.195 ( -30.291 -9.109 1.688) 31.676 4.677 ( -9.827 -4.947 -0.315) 11.006 5.234 ( -30.763 -2.023 -11.895) 33.045 5.544 ( 11.929 8.013 3.685) 14.835 6.388 ( 7.713 -10.737 -8.459) 15.695 6.738 ( -13.974 -1.694 -8.696) 16.546 6.915 ( 4.259 0.984 3.537) 5.623 7.491 ( -0.405 -12.805 16.929) 21.231 9.004 ( 3.169 3.929 -0.605) 5.083 9.351 ( -3.348 7.717 -4.278) 9.437 10.442 ( 13.553 9.914 16.373) 23.453 11.710 ( 9.698 4.067 2.853) 10.896 12.264 ( 15.230 0.324 -3.057) 15.537 13.179 ( 12.086 1.467 -0.353) 12.180 13.878 ( -4.201 4.129 -0.953) 5.967 15.610 ( -6.870 -0.736 0.785) 6.954 17.268 ( 13.344 -1.014 -5.942) 14.642 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -32.738 -13.599 1.960) 35.504 2.654 ( -32.779 0.702 4.590) 33.106 4.255 ( -33.770 -18.179 -10.618) 39.795 4.667 ( -24.309 4.706 -4.444) 25.156 5.690 ( -12.864 -9.539 13.029) 20.645 6.356 ( 11.187 5.579 -10.390) 16.255 6.644 ( 4.064 -0.768 0.260) 4.144 7.017 ( 4.425 2.758 -3.395) 6.222 7.547 ( 8.974 -3.803 20.215) 22.442 9.038 ( 2.764 -4.966 -4.670) 7.356 9.396 ( -0.410 10.772 -6.235) 12.453 10.714 ( 5.821 4.655 7.805) 10.792 11.926 ( 10.264 3.905 2.637) 11.293 12.558 ( 19.305 2.519 -0.933) 19.491 13.417 ( 14.002 1.967 1.863) 14.261 13.850 ( -2.338 2.045 -1.026) 3.271 15.453 ( -11.523 -0.785 0.443) 11.558 17.450 ( 11.541 -0.797 -4.883) 12.557 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -34.191 -12.854 1.984) 36.582 2.114 ( -37.873 4.159 5.758) 38.533 3.282 ( -54.184 -15.787 -11.516) 57.600 4.410 ( -13.737 2.899 -1.119) 14.084 5.179 ( -30.582 -11.520 3.669) 32.885 6.690 ( 13.038 5.163 0.723) 14.042 6.736 ( 7.998 0.709 0.314) 8.035 7.099 ( 4.496 0.969 -1.737) 4.917 7.861 ( 19.934 6.147 18.247) 27.715 8.998 ( 3.110 -7.923 -6.694) 10.828 9.462 ( -0.126 6.764 -7.916) 10.413 10.787 ( -1.276 0.690 2.119) 2.568 12.129 ( 9.199 2.539 1.794) 9.710 12.931 ( 21.897 3.010 0.321) 22.106 13.672 ( 13.254 1.027 2.312) 13.494 13.837 ( -0.227 1.054 -0.534) 1.203 15.219 ( -15.709 -0.885 0.346) 15.738 17.596 ( 8.391 -0.701 -2.637) 8.824 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -33.814 0.000 0.000) 33.814 1.495 ( -42.063 0.000 0.000) 42.063 2.186 ( -63.017 0.000 0.000) 63.017 4.230 ( -9.557 0.000 0.000) 9.557 4.618 ( -28.789 0.000 0.000) 28.789 6.797 ( 3.627 -0.000 -0.000) 3.627 6.920 ( 7.585 -0.000 -0.000) 7.585 7.169 ( 3.499 -0.000 -0.000) 3.499 8.358 ( 26.841 -0.000 -0.000) 26.841 8.987 ( 3.888 -0.000 -0.000) 3.888 9.446 ( -3.749 0.000 0.000) 3.749 10.732 ( -4.964 0.000 0.000) 4.964 12.280 ( 6.918 -0.000 -0.000) 6.918 13.316 ( 21.808 -0.000 -0.000) 21.808 13.808 ( 1.978 -0.000 -0.000) 1.978 13.922 ( 9.293 -0.000 -0.000) 9.293 14.930 ( -18.096 0.000 0.000) 18.096 17.698 ( 5.017 -0.000 -0.000) 5.017 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 34.270 15.367) 37.558 1.694 ( 0.000 33.170 19.192) 38.322 2.489 ( -0.000 59.477 7.271) 59.920 4.176 ( -0.000 7.495 -5.311) 9.186 4.823 ( -0.000 33.225 -2.859) 33.348 6.785 ( 0.000 -3.674 -0.196) 3.680 6.864 ( 0.000 -8.622 -1.638) 8.776 7.013 ( -0.000 -2.725 -11.779) 12.090 8.793 ( 0.000 -33.330 44.902) 55.920 9.017 ( -0.000 -2.171 -19.949) 20.067 9.079 ( -0.000 1.655 -2.636) 3.112 10.715 ( -0.000 4.861 -5.224) 7.135 12.282 ( 0.000 -7.691 2.973) 8.246 13.182 ( 0.000 -18.811 -3.987) 19.229 13.797 ( -0.000 -0.563 -1.556) 1.655 13.798 ( -0.000 -9.777 -8.372) 12.872 15.156 ( 0.000 18.798 14.384) 23.670 17.501 ( -0.000 -4.665 -17.128) 17.752 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -1.213 33.377 16.143) 37.095 2.230 ( 10.990 33.070 6.106) 35.379 3.290 ( 25.101 47.363 11.561) 54.836 4.338 ( 10.953 9.476 -5.965) 15.664 5.156 ( 3.781 31.774 -5.155) 32.410 6.705 ( -2.744 -9.124 0.377) 9.535 6.747 ( -3.237 -8.221 0.841) 8.876 6.966 ( 1.326 -2.925 -9.871) 10.380 8.180 ( -35.640 -13.152 8.645) 38.960 8.939 ( 3.242 -4.679 2.752) 6.323 9.384 ( 16.947 -7.890 0.714) 18.708 10.747 ( 0.416 2.560 -5.690) 6.253 12.166 ( -4.997 -8.437 1.710) 9.954 12.928 ( -7.657 -18.412 -0.549) 19.948 13.602 ( -6.074 -11.195 -7.920) 14.999 13.816 ( 2.252 -0.265 -1.267) 2.597 15.389 ( 1.400 15.909 14.773) 21.755 17.427 ( 3.640 -8.643 -13.072) 16.088 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 12.584 31.705 10.202) 35.604 2.713 ( 9.535 30.012 1.968) 31.552 4.136 ( 24.573 26.763 9.396) 37.528 4.677 ( 18.334 17.775 -4.399) 25.912 5.478 ( 4.820 21.236 -8.199) 23.269 6.532 ( -3.553 -16.184 5.854) 17.573 6.635 ( -4.706 -0.603 3.897) 6.140 6.934 ( 3.644 -4.873 -8.765) 10.670 7.603 ( -25.586 -3.230 2.056) 25.871 8.981 ( 4.295 -2.397 1.154) 5.052 9.489 ( 4.870 -5.384 0.307) 7.266 10.689 ( -6.242 -1.759 -9.264) 11.308 11.983 ( -7.969 -7.701 0.646) 11.101 12.606 ( -10.034 -16.807 2.754) 19.767 13.358 ( -5.953 -12.363 -7.119) 15.458 13.862 ( 2.573 2.113 -0.554) 3.375 15.585 ( 0.196 12.350 11.887) 17.143 17.342 ( 2.312 -13.133 -6.925) 15.026 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 18.661 30.281 5.625) 36.011 3.138 ( 9.733 24.697 1.423) 26.584 4.588 ( 10.692 9.748 0.260) 14.471 5.224 ( 19.581 16.873 -7.495) 26.913 5.642 ( 0.953 14.538 4.854) 15.357 6.353 ( -1.323 -17.564 8.646) 19.621 6.654 ( 1.890 3.972 5.055) 6.701 6.978 ( 13.443 -6.181 -8.574) 17.101 7.270 ( -17.310 4.621 3.386) 18.233 9.018 ( 0.504 1.077 -2.697) 2.947 9.494 ( 0.707 -1.520 0.802) 1.858 10.423 ( -15.899 -6.229 -16.150) 23.503 11.763 ( -9.770 -7.374 0.017) 12.240 12.326 ( -7.995 -12.771 5.083) 15.902 13.137 ( -3.924 -12.087 -4.537) 13.494 13.936 ( 2.199 5.288 -0.274) 5.733 15.703 ( -1.809 8.188 8.165) 11.704 17.204 ( 0.100 -16.491 -2.138) 16.629 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( 6.960 26.332 5.581) 27.802 3.583 ( 21.908 21.850 -1.231) 30.966 4.781 ( 5.155 6.106 -2.921) 8.508 5.399 ( 1.636 4.336 -2.803) 5.416 5.973 ( 7.265 15.795 12.038) 21.147 6.211 ( 0.380 -15.502 7.748) 17.334 6.705 ( 1.408 -2.386 -4.734) 5.484 7.072 ( 1.924 -0.812 -3.168) 3.794 7.295 ( 14.159 5.623 8.700) 17.544 8.982 ( -5.982 3.679 -6.523) 9.585 9.514 ( 1.113 1.594 2.576) 3.227 9.969 ( -21.677 -7.645 -21.213) 31.279 11.543 ( -7.639 -6.687 -1.002) 10.202 12.116 ( -7.562 -9.346 5.924) 13.403 12.974 ( -1.487 -10.370 -1.869) 10.641 14.032 ( 0.893 9.261 -0.157) 9.305 15.738 ( -3.161 3.591 4.533) 6.591 17.026 ( -0.821 -18.262 0.781) 18.297 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.786 ( 3.124 19.872 5.005) 20.730 4.151 ( 21.152 19.570 -3.662) 29.049 4.886 ( 3.285 5.122 -2.770) 6.686 5.520 ( 4.603 8.418 7.934) 12.450 6.058 ( 3.255 -15.506 6.974) 17.311 6.149 ( -8.191 6.195 3.442) 10.832 6.597 ( -8.123 -0.663 -7.776) 11.265 7.239 ( 14.079 1.655 7.053) 15.834 7.620 ( 17.545 -2.015 3.814) 18.068 8.848 ( -9.944 1.617 -8.463) 13.157 9.498 ( -18.975 -1.624 -19.045) 26.933 9.569 ( 0.754 3.778 4.131) 5.648 11.395 ( -3.262 -3.593 -2.314) 5.376 11.921 ( -7.433 -9.645 5.723) 13.455 12.874 ( 0.087 -7.564 -0.749) 7.601 14.136 ( -1.670 13.550 -0.027) 13.652 15.708 ( -2.742 -1.061 1.640) 3.367 16.847 ( 0.165 -18.194 1.859) 18.290 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( -2.089 15.808 2.876) 16.203 4.570 ( 14.525 6.357 -5.851) 16.900 5.022 ( 6.023 10.575 0.001) 12.170 5.684 ( -1.233 8.198 1.769) 8.477 5.962 ( -8.731 -1.067 6.859) 11.154 6.041 ( -0.261 -7.222 -0.104) 7.228 6.432 ( -7.039 -0.769 -6.108) 9.351 7.483 ( 10.081 -1.224 5.266) 11.439 7.822 ( 11.559 -7.432 1.441) 13.817 8.679 ( -4.843 -2.482 -2.690) 6.071 9.238 ( -11.034 8.929 -10.919) 17.908 9.629 ( -0.688 4.903 5.680) 7.535 11.353 ( 0.048 2.123 -3.031) 3.700 11.732 ( -4.212 -12.635 5.041) 14.240 12.819 ( 0.779 -5.068 -1.531) 5.351 14.224 ( -5.647 16.821 0.136) 17.744 15.655 ( -0.096 -4.619 0.002) 4.620 16.709 ( 2.848 -16.516 1.228) 16.805 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.026 ( -8.215 10.531 -1.087) 13.401 4.725 ( 4.885 -2.193 -1.693) 5.616 5.178 ( -2.858 2.806 -2.194) 4.566 5.643 ( -6.298 13.006 -3.923) 14.974 5.792 ( -13.910 4.274 -10.444) 17.912 6.003 ( 3.871 -10.834 -0.653) 11.523 6.388 ( 2.875 2.981 0.378) 4.159 7.547 ( 1.071 -6.246 0.369) 6.348 7.908 ( 7.960 -10.846 5.947) 14.709 8.677 ( 3.659 1.843 8.555) 9.485 9.196 ( -3.832 12.646 -5.516) 14.319 9.677 ( -2.109 5.114 8.577) 10.207 11.401 ( -1.536 9.876 -1.267) 10.075 11.597 ( 4.805 -16.810 2.349) 17.640 12.789 ( 1.730 -3.812 -3.324) 5.345 14.260 ( -9.883 16.998 0.191) 19.663 15.632 ( 3.277 -5.167 -0.222) 6.123 16.642 ( 6.734 -13.929 -0.667) 15.486 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.918 ( -12.893 5.992 -3.262) 14.587 4.640 ( -14.718 -4.249 0.199) 15.320 5.014 ( -8.226 -0.585 -0.825) 8.288 5.458 ( -13.253 -0.475 -18.959) 23.137 5.844 ( 4.380 14.299 -4.228) 15.541 5.975 ( 5.309 -8.239 -5.120) 11.058 6.520 ( 5.037 8.025 0.813) 9.509 7.417 ( -5.707 -12.358 -0.121) 13.612 7.876 ( 0.638 -16.784 7.287) 18.309 8.850 ( 3.839 10.430 10.971) 15.617 9.310 ( 4.433 11.511 -1.737) 12.457 9.732 ( -0.446 5.721 14.315) 15.423 11.427 ( -2.301 2.565 3.786) 5.120 11.639 ( 12.512 -5.644 -3.576) 14.185 12.786 ( 4.051 -3.550 -4.746) 7.178 14.223 ( -11.981 13.590 0.061) 18.118 15.661 ( 4.144 -2.628 0.534) 4.936 16.665 ( 11.184 -10.998 -2.982) 15.967 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.709 ( -16.807 4.166 -2.405) 17.482 4.191 ( -29.904 -6.280 -0.449) 30.559 4.928 ( -4.705 -0.389 1.324) 4.904 5.283 ( -2.131 5.492 -13.763) 14.971 5.955 ( -9.305 14.167 -11.088) 20.254 5.983 ( 12.956 -14.761 -2.139) 19.757 6.702 ( 5.677 11.402 -2.050) 12.902 7.147 ( -9.111 -16.073 -0.019) 18.476 7.670 ( -6.343 -20.128 9.257) 23.045 9.017 ( -0.891 12.767 6.517) 14.362 9.443 ( 0.019 5.633 -3.113) 6.436 9.957 ( 12.080 10.023 20.645) 25.934 11.457 ( 4.912 -2.148 3.377) 6.337 11.814 ( 11.336 1.906 -4.256) 12.258 12.836 ( 7.994 -3.157 -4.504) 9.704 14.135 ( -11.240 8.865 -0.125) 14.316 15.703 ( 1.421 0.127 1.269) 1.910 16.781 ( 14.990 -7.821 -4.567) 17.514 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( -24.749 3.643 0.053) 25.016 3.602 ( -30.323 -7.312 -0.277) 31.193 4.809 ( -9.210 -2.098 0.218) 9.448 5.419 ( 10.357 11.350 0.179) 15.367 5.735 ( -25.713 8.038 -11.455) 29.274 6.051 ( 13.597 -14.872 -5.793) 20.967 6.837 ( -4.020 -15.179 7.012) 17.197 6.904 ( -0.872 14.181 -14.628) 20.392 7.411 ( -3.746 -19.267 14.327) 24.301 9.100 ( -4.227 8.747 4.116) 10.551 9.442 ( -2.124 3.877 -3.328) 5.534 10.357 ( 14.765 9.051 15.281) 23.096 11.579 ( 10.176 -0.710 2.350) 10.469 12.013 ( 12.314 1.876 -3.602) 12.966 12.968 ( 12.249 -1.735 -2.480) 12.617 14.031 ( -8.881 4.762 -0.254) 10.080 15.702 ( -3.157 1.170 1.263) 3.595 16.971 ( 16.573 -4.628 -4.544) 17.797 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( -37.084 -3.645 0.548) 37.267 3.149 ( -24.694 0.626 1.237) 24.733 4.556 ( -18.871 -4.548 -1.665) 19.482 5.209 ( -35.468 3.355 -4.924) 35.965 5.756 ( 6.524 5.920 11.645) 14.602 6.114 ( 14.670 -7.099 -13.152) 20.942 6.621 ( -5.600 -5.394 0.707) 7.808 6.988 ( 0.715 5.231 -5.727) 7.790 7.367 ( 9.418 -8.329 10.807) 16.579 9.064 ( -6.466 1.635 0.962) 6.739 9.458 ( 0.122 4.321 -2.377) 4.934 10.661 ( 9.267 4.107 6.353) 11.962 11.777 ( 11.815 1.209 1.341) 11.953 12.253 ( 17.044 0.445 -1.509) 17.117 13.183 ( 14.970 -0.215 -0.347) 14.975 13.937 ( -6.014 1.809 -0.257) 6.286 15.622 ( -8.053 0.779 0.685) 8.119 17.196 ( 15.421 -1.942 -2.867) 15.805 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -37.416 0.000 0.000) 37.416 2.707 ( -30.383 0.000 0.000) 30.383 4.018 ( -42.355 0.000 0.000) 42.355 4.720 ( -22.947 0.000 0.000) 22.947 5.594 ( -23.203 0.000 0.000) 23.203 6.436 ( 21.862 -0.000 -0.000) 21.862 6.609 ( 5.557 -0.000 -0.000) 5.557 7.031 ( 3.396 -0.000 -0.000) 3.396 7.579 ( 17.415 -0.000 -0.000) 17.415 8.971 ( -4.142 0.000 0.000) 4.142 9.485 ( 0.325 -0.000 -0.000) 0.325 10.787 ( 2.984 -0.000 -0.000) 2.984 11.976 ( 10.861 -0.000 -0.000) 10.861 12.577 ( 21.457 -0.000 -0.000) 21.457 13.439 ( 15.417 -0.000 -0.000) 15.417 13.869 ( -3.090 0.000 0.000) 3.090 15.455 ( -12.550 0.000 0.000) 12.550 17.414 ( 12.318 -0.000 -0.000) 12.318 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 0.000 30.662 9.919) 32.227 2.384 ( 0.000 26.771 14.947) 30.661 3.615 ( -0.000 52.654 6.309) 53.030 4.309 ( -0.000 10.344 -6.184) 12.052 5.421 ( -0.000 30.723 -8.804) 31.959 6.589 ( 0.000 -21.683 4.498) 22.144 6.692 ( 0.000 -5.703 -0.920) 5.777 6.948 ( -0.000 3.759 -5.270) 6.474 8.408 ( 0.000 -26.291 16.012) 30.783 8.890 ( -0.000 -1.819 -6.572) 6.819 9.118 ( -0.000 3.900 -0.841) 3.990 10.749 ( -0.000 2.074 -5.093) 5.499 12.113 ( 0.000 -11.483 1.375) 11.565 12.819 ( 0.000 -17.810 0.800) 17.828 13.517 ( -0.000 -13.600 -8.018) 15.787 13.785 ( -0.000 0.191 -0.753) 0.777 15.577 ( 0.000 13.167 18.622) 22.807 17.266 ( -0.000 -7.679 -16.794) 18.467 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 0.374 29.625 9.796) 31.205 2.822 ( 10.947 23.873 7.781) 27.392 4.186 ( 8.831 37.291 4.542) 38.591 4.520 ( 14.665 15.646 -6.429) 22.387 5.650 ( -0.150 23.380 -10.655) 25.693 6.373 ( 0.067 -26.401 8.310) 27.678 6.632 ( 0.643 -6.499 -1.102) 6.623 6.956 ( -5.030 7.404 -0.494) 8.965 7.989 ( -22.710 -10.757 6.022) 25.840 8.901 ( 3.938 0.642 -2.639) 4.784 9.285 ( 10.937 -1.486 -0.797) 11.066 10.725 ( -2.808 -0.810 -6.364) 7.003 11.982 ( -2.261 -11.450 0.645) 11.689 12.599 ( -6.823 -16.882 3.739) 18.588 13.303 ( -5.245 -14.011 -8.080) 17.003 13.822 ( 3.551 1.387 -0.617) 3.862 15.748 ( -0.300 9.846 17.341) 19.944 17.152 ( 1.820 -10.241 -13.713) 17.212 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 11.328 29.403 4.722) 31.861 3.232 ( 9.795 21.252 7.040) 24.437 4.549 ( 7.022 14.725 -0.856) 16.336 5.012 ( 20.482 19.646 -10.336) 30.204 5.795 ( -0.381 14.293 -1.811) 14.412 6.167 ( 2.095 -25.737 11.579) 28.299 6.624 ( 7.841 -5.935 -2.340) 10.109 6.906 ( -10.149 7.497 3.606) 13.123 7.637 ( -17.850 4.844 5.346) 19.252 8.991 ( 4.875 4.061 -4.936) 8.039 9.388 ( 5.500 -3.417 -2.387) 6.901 10.552 ( -11.674 -5.132 -11.997) 17.508 11.829 ( -5.536 -9.004 1.776) 10.718 12.341 ( -6.825 -13.934 6.619) 16.868 13.059 ( -4.415 -13.842 -6.961) 16.111 13.917 ( 4.954 4.120 -0.888) 6.504 15.858 ( -2.473 6.697 13.643) 15.398 17.019 ( 0.686 -14.492 -8.476) 16.803 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( 15.596 22.363 -1.251) 27.293 3.628 ( 9.669 25.366 9.919) 28.902 4.742 ( 4.898 7.175 -4.072) 9.594 5.347 ( 9.087 8.462 -11.470) 16.904 5.887 ( 5.235 -16.132 7.985) 18.746 6.135 ( 7.638 4.093 10.959) 13.971 6.771 ( 16.264 -6.864 -7.223) 19.074 6.804 ( -10.843 7.743 8.267) 15.681 7.504 ( -12.322 12.818 8.848) 19.860 9.076 ( -0.218 7.779 -7.797) 11.016 9.417 ( 5.222 -5.219 -3.682) 8.250 10.173 ( -19.234 -7.649 -17.941) 27.392 11.625 ( -9.636 -7.716 3.479) 12.825 12.176 ( -4.761 -7.193 7.319) 11.312 12.862 ( -0.859 -13.480 -4.479) 14.231 14.056 ( 5.353 7.717 -1.133) 9.460 15.880 ( -5.512 3.768 9.308) 11.455 16.842 ( -0.299 -18.514 -3.919) 18.926 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.864 ( 10.931 13.475 3.909) 17.787 4.108 ( 10.943 29.085 1.352) 31.105 4.844 ( 4.802 3.027 -4.695) 7.366 5.529 ( 6.897 9.113 2.379) 11.674 5.790 ( 5.961 -23.758 8.540) 25.941 6.354 ( 2.544 9.650 -2.694) 10.336 6.682 ( -7.673 1.124 0.851) 7.802 7.034 ( 15.824 1.012 4.071) 16.371 7.511 ( -3.087 7.198 11.746) 14.117 9.029 ( -10.827 5.918 -10.697) 16.330 9.456 ( 7.554 -5.938 -8.084) 12.557 9.739 ( -16.498 -3.030 -13.989) 21.841 11.428 ( -6.980 -5.813 4.500) 10.137 12.040 ( -9.403 -2.766 5.462) 11.221 12.752 ( 3.093 -11.379 -1.975) 11.956 14.232 ( 4.735 12.002 -1.125) 12.951 15.812 ( -7.968 0.686 5.127) 9.500 16.643 ( 0.710 -21.194 -0.815) 21.221 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.143 ( 4.549 12.626 7.125) 15.195 4.443 ( 5.909 12.726 -9.248) 16.804 5.003 ( 8.938 9.399 1.149) 13.021 5.678 ( 3.509 -11.735 5.760) 13.535 5.804 ( 10.262 2.862 10.189) 14.741 6.345 ( -12.473 12.648 -8.160) 19.549 6.555 ( -8.611 0.804 -6.439) 10.782 7.308 ( 12.733 -0.593 9.436) 15.859 7.582 ( 5.842 -6.037 8.113) 11.679 8.795 ( -12.473 -0.235 -8.904) 15.327 9.417 ( -4.980 5.101 -17.775) 19.151 9.611 ( 3.519 -2.341 2.628) 4.977 11.328 ( -1.253 -4.019 4.906) 6.464 11.851 ( -12.490 -0.618 3.657) 13.029 12.715 ( 3.750 -8.135 -1.718) 9.121 14.425 ( 1.827 16.666 -0.741) 16.782 15.678 ( -7.547 -3.082 1.839) 8.357 16.470 ( 3.578 -21.656 0.514) 21.956 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.247 ( -6.730 9.016 0.293) 11.255 4.589 ( 9.024 1.498 -3.738) 9.882 5.225 ( 3.062 6.987 1.158) 7.716 5.640 ( 3.988 -10.325 5.822) 12.506 5.961 ( -4.796 3.100 0.417) 5.726 6.201 ( -16.665 19.243 -10.897) 27.690 6.419 ( -3.258 5.817 -7.265) 9.860 7.445 ( 3.686 -7.187 6.026) 10.077 7.640 ( 10.677 -14.706 6.936) 19.451 8.691 ( 0.327 3.741 5.595) 6.738 9.361 ( -4.650 10.935 -13.131) 17.709 9.675 ( 5.475 -3.685 3.020) 7.258 11.324 ( 4.031 -7.478 4.952) 9.833 11.680 ( -11.188 6.640 2.822) 13.313 12.692 ( 2.760 -6.615 -3.626) 8.033 14.576 ( -5.503 19.477 -0.053) 20.240 15.552 ( -1.569 -5.684 0.006) 5.897 16.360 ( 7.263 -20.012 0.068) 21.289 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.142 ( -10.499 3.115 -4.704) 11.919 4.730 ( 3.718 2.635 3.667) 5.849 5.171 ( -10.902 -1.525 -2.253) 11.237 5.616 ( -5.199 -4.488 -5.731) 8.945 5.713 ( -8.366 -7.716 -5.563) 12.668 6.172 ( -9.205 25.077 -8.555) 28.050 6.542 ( 4.287 13.924 -2.959) 14.867 7.358 ( -2.290 -14.364 2.296) 14.726 7.663 ( 7.161 -19.406 8.923) 22.527 8.887 ( 8.397 10.450 14.755) 19.935 9.384 ( -0.881 11.451 -9.328) 14.796 9.738 ( 5.357 -3.708 4.729) 8.050 11.302 ( 4.498 -14.350 3.057) 15.346 11.680 ( -4.223 17.121 3.569) 17.991 12.657 ( 3.240 -7.126 -5.856) 9.776 14.581 ( -13.925 15.165 0.282) 20.590 15.551 ( 5.790 -2.033 -0.029) 6.137 16.335 ( 11.452 -16.894 -1.457) 20.462 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( -12.013 1.058 -4.052) 12.722 4.649 ( -23.776 2.664 3.693) 24.209 4.973 ( -3.505 -2.607 -1.333) 4.568 5.370 ( -8.867 4.498 -16.486) 19.252 5.654 ( 7.400 -14.668 2.858) 16.676 6.252 ( -7.973 22.967 -7.416) 25.418 6.734 ( 3.203 12.703 -2.294) 13.300 7.134 ( -6.816 -14.723 -0.498) 16.232 7.553 ( 0.186 -22.016 9.870) 24.128 9.154 ( 3.041 12.666 9.231) 15.965 9.467 ( 1.519 5.271 -4.192) 6.904 9.871 ( 12.004 1.087 9.121) 15.115 11.272 ( 7.352 -11.547 0.977) 13.723 11.823 ( -0.729 15.810 2.921) 16.094 12.645 ( 6.894 -7.200 -6.045) 11.658 14.439 ( -15.444 7.854 0.113) 17.327 15.660 ( 5.319 2.383 0.916) 5.900 16.416 ( 15.952 -11.774 -2.787) 20.022 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.742 ( -14.102 0.908 -1.498) 14.210 4.132 ( -36.123 -0.769 0.432) 36.133 4.914 ( -4.544 -0.951 0.162) 4.645 5.381 ( 5.631 10.651 -4.998) 13.044 5.666 ( 10.500 -14.202 -1.952) 17.770 6.211 ( -19.523 14.561 -5.355) 24.937 6.757 ( -1.324 -13.120 5.516) 14.294 7.021 ( -0.935 15.651 -12.515) 20.061 7.338 ( -4.647 -21.169 12.233) 24.887 9.274 ( -3.740 8.848 3.583) 10.253 9.469 ( -0.675 -1.051 -2.361) 2.671 10.198 ( 17.500 4.258 8.209) 19.793 11.354 ( 12.306 -5.347 0.198) 13.418 11.943 ( 1.212 7.346 0.238) 7.449 12.733 ( 11.816 -3.530 -2.911) 12.671 14.250 ( -13.004 2.976 -0.016) 13.340 15.739 ( 0.862 1.853 0.889) 2.228 16.617 ( 18.640 -5.010 -2.277) 19.435 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( -27.786 0.000 0.000) 27.786 3.531 ( -28.551 0.000 0.000) 28.551 4.781 ( -10.955 0.000 0.000) 10.955 5.664 ( 11.824 -0.000 -0.000) 11.824 5.723 ( 9.406 -0.000 -0.000) 9.406 5.830 ( -26.074 0.000 0.000) 26.074 6.674 ( -2.812 0.000 0.000) 2.812 7.082 ( -8.025 0.000 0.000) 8.025 7.195 ( 6.686 -0.000 -0.000) 6.686 9.212 ( -8.292 0.000 0.000) 8.292 9.464 ( 0.679 -0.000 -0.000) 0.679 10.502 ( 14.038 -0.000 -0.000) 14.038 11.561 ( 14.376 -0.000 -0.000) 14.376 12.042 ( 8.182 -0.000 -0.000) 8.182 12.934 ( 14.329 -0.000 -0.000) 14.329 14.076 ( -9.614 0.000 0.000) 9.614 15.726 ( -3.660 0.000 0.000) 3.660 16.900 ( 18.088 -0.000 -0.000) 18.088 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( -0.000 25.028 4.651) 25.456 2.908 ( 0.000 19.473 9.634) 21.726 4.484 ( -0.000 11.729 -5.575) 12.987 4.537 ( -0.000 39.247 0.452) 39.249 5.808 ( -0.000 17.229 -13.154) 21.676 6.114 ( 0.000 -31.544 10.895) 33.372 6.558 ( 0.000 -7.168 -1.526) 7.328 7.115 ( 0.000 12.514 3.873) 13.100 8.064 ( 0.000 -12.808 -0.324) 12.812 8.874 ( -0.000 2.951 -0.773) 3.051 9.223 ( 0.000 6.503 2.415) 6.937 10.722 ( -0.000 -1.624 -4.660) 4.935 11.866 ( 0.000 -14.060 -1.483) 14.138 12.517 ( 0.000 -15.703 5.073) 16.502 13.185 ( -0.000 -14.884 -8.789) 17.285 13.795 ( 0.000 0.972 0.400) 1.051 15.883 ( 0.000 5.423 18.046) 18.843 17.008 ( -0.000 -7.444 -14.790) 16.558 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 4.402 23.656 3.010) 24.250 3.249 ( 10.619 15.953 6.658) 20.288 4.607 ( 2.992 12.758 -3.579) 13.584 4.929 ( 9.425 23.317 -9.357) 26.834 5.797 ( 1.128 -24.913 5.513) 25.540 5.993 ( 2.412 6.045 1.601) 6.703 6.479 ( 0.500 -7.441 -2.323) 7.811 7.181 ( -7.132 10.014 5.536) 13.483 7.917 ( -8.530 3.399 0.637) 9.204 8.932 ( 2.816 4.574 -2.338) 5.858 9.326 ( 2.310 4.986 1.642) 5.735 10.627 ( -6.797 -4.613 -7.453) 11.091 11.749 ( 2.431 -12.335 -1.120) 12.622 12.338 ( -5.965 -14.247 7.703) 17.259 12.973 ( -4.130 -14.253 -8.675) 17.189 13.857 ( 5.290 2.379 0.114) 5.801 15.969 ( -0.263 1.193 15.029) 15.079 16.885 ( -1.577 -7.875 -11.158) 13.748 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 9.748 20.380 -1.915) 22.672 3.644 ( 16.695 16.778 9.353) 25.450 4.751 ( 1.899 8.892 -4.776) 10.270 5.211 ( 11.409 9.390 -14.312) 20.571 5.601 ( 5.417 -29.197 10.188) 31.394 6.133 ( 2.638 7.072 7.432) 10.593 6.483 ( 9.014 -3.513 -3.101) 10.159 7.136 ( -11.186 10.380 7.292) 16.913 7.861 ( -10.917 14.248 4.430) 18.488 9.034 ( 6.164 3.497 -5.078) 8.718 9.368 ( -2.233 3.403 -2.276) 4.663 10.336 ( -16.030 -8.190 -14.096) 22.863 11.678 ( -1.780 -7.635 1.937) 8.076 12.163 ( -1.997 -10.533 10.096) 14.726 12.746 ( -3.523 -13.636 -7.426) 15.921 14.006 ( 7.884 5.672 -0.749) 9.741 15.993 ( -1.631 -2.307 11.291) 11.639 16.716 ( -4.770 -10.422 -6.901) 13.379 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( 11.173 12.759 0.449) 16.966 4.168 ( 18.092 22.723 6.564) 29.778 4.790 ( 0.258 2.064 -8.330) 8.585 5.401 ( 12.248 -12.083 3.365) 17.531 5.535 ( 7.349 -4.111 1.727) 8.596 6.269 ( 7.954 0.805 3.349) 8.668 6.629 ( 10.282 -4.414 -2.162) 11.396 7.107 ( -9.049 15.049 10.510) 20.465 7.815 ( -13.593 13.160 7.012) 20.177 9.159 ( 7.194 2.781 -7.160) 10.524 9.287 ( -7.874 -0.893 -8.249) 11.439 9.912 ( -16.831 -7.270 -15.827) 24.221 11.537 ( -8.403 -4.531 6.518) 11.560 12.133 ( -0.516 -2.901 7.183) 7.764 12.567 ( 1.496 -13.990 -4.691) 14.831 14.217 ( 8.847 9.890 -1.351) 13.338 15.945 ( -4.182 -4.201 7.893) 9.871 16.486 ( -6.238 -14.248 -3.780) 16.006 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.099 ( 11.877 8.749 3.419) 15.142 4.546 ( -1.295 13.130 -4.713) 14.010 4.876 ( 14.455 3.657 -0.412) 14.916 5.444 ( 10.377 -14.396 9.350) 20.059 5.759 ( 9.585 11.482 5.293) 15.865 6.417 ( 7.140 2.591 -6.872) 10.243 6.654 ( -0.830 -3.916 -3.545) 5.347 7.204 ( 1.066 8.392 11.901) 14.601 7.699 ( -14.093 5.134 8.747) 17.363 9.003 ( -16.649 -1.624 -13.203) 21.311 9.284 ( 9.965 -2.868 -9.020) 13.744 9.636 ( -6.837 -0.619 -9.291) 11.552 11.399 ( -7.230 -2.135 10.118) 12.617 12.055 ( -9.123 1.194 0.653) 9.224 12.524 ( 7.724 -11.041 -0.650) 13.491 14.476 ( 8.795 14.450 -1.490) 16.981 15.824 ( -8.604 -3.487 4.666) 10.390 16.233 ( -2.783 -19.572 -1.623) 19.835 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.366 ( 7.290 6.258 6.470) 11.583 4.494 ( -3.287 1.774 -10.140) 10.806 5.132 ( 11.463 -4.301 1.678) 12.358 5.571 ( 4.214 4.799 12.435) 13.979 6.036 ( 5.464 10.072 5.457) 12.692 6.463 ( -2.104 5.691 -17.092) 18.137 6.563 ( -5.605 6.910 -7.924) 11.914 7.323 ( 5.636 -5.097 11.353) 13.661 7.511 ( -10.759 -6.694 8.505) 15.261 8.770 ( -5.101 2.270 -2.124) 5.974 9.375 ( 7.412 -1.769 -10.548) 13.012 9.557 ( -0.470 0.008 -6.042) 6.060 11.312 ( -5.320 -3.381 10.952) 12.636 11.926 ( -8.653 6.418 -0.476) 10.784 12.546 ( 5.201 -8.105 -1.673) 9.774 14.761 ( 5.848 19.038 -1.025) 19.942 15.626 ( -11.926 -3.220 1.554) 12.451 16.040 ( 5.025 -23.056 -0.138) 23.598 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.307 ( -9.512 0.514 -4.212) 10.416 4.641 ( 10.480 3.304 2.782) 11.335 5.200 ( 3.799 -6.316 -1.130) 7.457 5.642 ( -6.293 1.370 14.659) 16.011 5.938 ( -18.435 -0.093 -13.664) 22.947 6.542 ( -4.381 21.430 -10.247) 24.154 6.606 ( 3.659 18.779 -8.909) 21.105 7.276 ( -6.197 -15.018 6.726) 17.584 7.366 ( 7.504 -18.995 10.705) 23.059 8.886 ( 8.530 9.636 11.549) 17.291 9.427 ( 3.818 0.457 -9.603) 10.344 9.563 ( 5.239 -3.320 -5.388) 8.216 11.210 ( -4.279 -7.030 6.885) 10.730 11.931 ( -3.789 14.644 3.768) 15.588 12.511 ( 2.084 -9.312 -5.063) 10.802 14.947 ( -9.169 18.135 0.129) 20.322 15.467 ( 0.131 -1.878 -0.261) 1.901 15.961 ( 11.015 -21.012 -0.263) 23.726 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.129 ( -10.375 -0.217 -2.713) 10.726 4.827 ( 6.449 2.906 3.698) 7.981 5.110 ( -11.481 -2.257 -1.858) 11.847 5.526 ( -7.849 -3.049 2.402) 8.756 5.573 ( -14.896 -1.627 -7.574) 16.790 6.597 ( -9.179 23.546 -6.578) 26.114 6.833 ( -1.376 12.448 -3.918) 13.123 7.073 ( -0.212 -10.080 -0.283) 10.087 7.310 ( 6.250 -23.500 10.675) 26.556 9.211 ( 8.928 12.474 12.334) 19.684 9.449 ( 2.830 -2.590 -5.871) 7.013 9.648 ( 11.913 -2.564 -3.542) 12.690 11.117 ( 0.171 -5.954 2.098) 6.315 12.054 ( -4.291 16.409 6.464) 18.151 12.433 ( 5.069 -11.414 -6.980) 14.307 14.790 ( -18.970 5.517 0.183) 19.757 15.592 ( 7.271 5.460 0.308) 9.098 16.018 ( 16.688 -12.934 -1.070) 21.141 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( -11.190 0.000 0.000) 11.190 4.708 ( -31.542 0.000 0.000) 31.542 4.931 ( 1.965 -0.000 -0.000) 1.965 5.401 ( -3.193 0.000 0.000) 3.193 5.473 ( 2.880 -0.000 -0.000) 2.880 6.598 ( -14.854 0.000 0.000) 14.854 6.694 ( -1.932 0.000 0.000) 1.932 7.120 ( -0.745 0.000 0.000) 0.745 7.249 ( 2.271 -0.000 -0.000) 2.271 9.382 ( -0.631 0.000 0.000) 0.631 9.437 ( 1.588 -0.000 -0.000) 1.588 9.914 ( 19.630 -0.000 -0.000) 19.630 11.151 ( 7.515 -0.000 -0.000) 7.515 12.045 ( -6.570 0.000 0.000) 6.570 12.508 ( 11.386 -0.000 -0.000) 11.386 14.513 ( -16.742 0.000 0.000) 16.742 15.712 ( 3.946 -0.000 -0.000) 3.946 16.265 ( 19.523 -0.000 -0.000) 19.523 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 0.000 13.073 4.840) 13.940 3.335 ( -0.000 18.720 0.671) 18.732 4.671 ( -0.000 10.944 -4.244) 11.738 5.016 ( -0.000 13.586 -12.957) 18.774 5.497 ( 0.000 -34.671 10.631) 36.264 6.097 ( -0.000 15.472 -0.442) 15.478 6.408 ( 0.000 -7.244 -1.464) 7.391 7.313 ( 0.000 3.633 1.991) 4.143 8.038 ( -0.000 11.913 -0.819) 11.941 8.987 ( -0.000 8.279 1.088) 8.350 9.390 ( 0.000 7.914 5.309) 9.530 10.626 ( -0.000 -5.038 -4.903) 7.030 11.571 ( 0.000 -14.368 -4.022) 14.920 12.291 ( 0.000 -12.559 8.497) 15.163 12.846 ( -0.000 -13.729 -9.646) 16.779 13.823 ( 0.000 1.270 1.055) 1.651 15.998 ( 0.000 -3.810 10.894) 11.541 16.824 ( -0.000 -3.237 -7.747) 8.396 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( 12.327 14.989 0.234) 19.408 3.539 ( 6.204 12.212 2.929) 14.007 4.788 ( 2.456 8.874 -3.877) 9.991 5.061 ( 5.238 -5.514 -9.563) 12.219 5.269 ( 5.237 -22.752 3.980) 23.683 6.213 ( -2.420 5.057 3.522) 6.621 6.370 ( 3.864 0.153 -0.405) 3.888 7.336 ( -1.867 5.942 1.994) 6.539 8.148 ( -4.903 17.047 1.592) 17.810 9.050 ( -2.356 7.827 1.424) 8.297 9.467 ( -2.195 7.422 2.947) 8.282 10.451 ( -11.512 -7.833 -9.142) 16.658 11.513 ( 8.945 -10.643 -2.359) 14.101 12.161 ( -5.053 -10.663 10.853) 16.032 12.656 ( -3.405 -12.288 -9.373) 15.826 13.909 ( 7.729 2.697 0.528) 8.203 15.975 ( 0.223 -7.560 6.438) 9.932 16.739 ( -5.421 -2.249 -3.389) 6.777 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.758 ( 7.558 11.091 0.198) 13.423 3.975 ( 24.560 12.376 2.894) 27.654 4.815 ( -2.537 1.075 -7.957) 8.421 5.039 ( 10.625 -22.200 7.909) 25.851 5.348 ( 14.803 3.225 -8.021) 17.143 6.200 ( 1.134 -2.369 5.816) 6.381 6.485 ( 5.488 1.642 0.883) 5.796 7.385 ( -3.937 11.366 4.335) 12.786 8.180 ( -11.195 14.882 3.052) 18.871 9.074 ( -1.236 2.792 0.850) 3.169 9.462 ( -7.258 7.273 -3.301) 10.792 10.066 ( -17.797 -9.726 -14.050) 24.673 11.576 ( 4.000 -3.888 1.162) 5.698 12.064 ( 2.028 -7.890 12.582) 14.989 12.450 ( -4.077 -11.388 -8.632) 14.861 14.120 ( 11.921 6.371 -0.332) 13.521 15.902 ( -0.129 -11.119 3.664) 11.708 16.569 ( -11.376 -2.704 -0.772) 11.718 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.998 ( 10.223 7.547 1.573) 12.804 4.500 ( 22.463 6.091 2.899) 23.454 4.729 ( -2.457 -1.762 -8.725) 9.234 5.119 ( 17.376 -9.833 7.317) 21.264 5.667 ( 16.673 8.957 -1.494) 18.986 6.268 ( 6.966 -2.303 3.952) 8.334 6.553 ( 3.099 -3.310 0.483) 4.559 7.432 ( -6.471 11.681 6.373) 14.797 8.072 ( -17.301 9.395 4.027) 20.095 9.045 ( -1.983 -5.899 -4.990) 7.977 9.321 ( -13.573 6.208 -9.140) 17.502 9.707 ( -8.888 -4.870 -9.261) 13.729 11.547 ( -5.912 0.632 7.697) 9.726 12.140 ( 2.326 -0.537 3.414) 4.166 12.274 ( 3.833 -13.287 -3.577) 14.284 14.412 ( 13.356 10.981 -0.876) 17.313 15.788 ( 0.139 -14.181 2.171) 14.347 16.309 ( -16.083 -3.610 0.189) 16.484 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.246 ( 11.761 4.572 2.334) 12.832 4.582 ( -6.044 -0.469 -5.631) 8.274 4.839 ( 15.593 -7.627 1.496) 17.423 5.506 ( 21.467 10.255 7.262) 24.874 6.015 ( 11.558 11.022 5.552) 16.909 6.386 ( 10.019 -1.749 -6.037) 11.827 6.518 ( -1.163 -6.866 -2.664) 7.456 7.417 ( -8.803 6.020 6.920) 12.713 7.817 ( -21.730 2.539 4.571) 22.351 8.848 ( -6.544 -4.192 -9.341) 12.152 9.222 ( 0.093 -0.462 -4.065) 4.092 9.584 ( -2.862 0.532 -6.100) 6.759 11.468 ( -8.923 1.293 10.481) 13.825 12.050 ( -4.081 -0.363 -6.742) 7.889 12.357 ( 9.502 -6.276 3.215) 11.832 14.760 ( 13.452 15.530 -1.049) 20.573 15.665 ( 1.936 -15.683 1.419) 15.865 15.978 ( -18.567 -5.162 0.165) 19.272 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.443 ( -7.887 -0.472 -1.647) 8.071 4.485 ( 11.801 2.261 0.394) 12.022 5.001 ( 11.497 -5.188 0.369) 12.619 5.835 ( -0.983 7.235 12.430) 14.415 6.187 ( -12.795 3.786 -5.336) 14.370 6.437 ( 15.865 2.960 -6.511) 17.403 6.611 ( 15.561 1.658 -6.200) 16.832 7.301 ( -9.400 -2.151 5.592) 11.147 7.448 ( -23.023 -3.934 4.175) 23.727 8.843 ( 8.047 3.694 2.377) 9.167 9.228 ( 5.204 -5.204 -5.274) 9.054 9.547 ( -1.142 1.548 -4.087) 4.517 11.328 ( -10.843 -1.212 5.691) 12.306 12.046 ( 2.477 5.206 -1.224) 5.894 12.403 ( 1.441 -5.074 -0.414) 5.291 15.133 ( 10.360 19.698 -0.687) 22.267 15.573 ( -1.150 -8.528 1.098) 8.675 15.619 ( -10.127 -14.077 -0.414) 17.346 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.289 ( -9.589 0.000 0.000) 9.589 4.691 ( 10.948 -0.000 -0.000) 10.948 5.120 ( 5.238 -0.000 -0.000) 5.238 5.746 ( -13.668 0.000 0.000) 13.668 5.851 ( -20.616 0.000 0.000) 20.616 6.821 ( 18.616 -0.000 -0.000) 18.616 6.829 ( 6.346 -0.000 -0.000) 6.346 7.057 ( -17.495 0.000 0.000) 17.495 7.145 ( -5.813 0.000 0.000) 5.813 9.119 ( 17.053 -0.000 -0.000) 17.053 9.266 ( 5.644 -0.000 -0.000) 5.644 9.546 ( 1.162 -0.000 -0.000) 1.162 11.165 ( -7.794 0.000 0.000) 7.794 12.184 ( 7.956 -0.000 -0.000) 7.956 12.312 ( -6.661 0.000 0.000) 6.661 15.158 ( -20.643 0.000 0.000) 20.643 15.529 ( 5.654 -0.000 -0.000) 5.654 15.638 ( 17.446 -0.000 -0.000) 17.446 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( -0.000 8.121 1.829) 8.324 3.633 ( -0.000 12.904 -1.247) 12.964 4.833 ( -0.000 8.230 -2.914) 8.731 4.838 ( 0.000 -27.238 5.823) 27.854 5.084 ( -0.000 -5.401 -12.314) 13.447 6.273 ( 0.000 -5.776 -0.876) 5.842 6.341 ( -0.000 6.757 1.563) 6.935 7.405 ( -0.000 7.926 1.276) 8.028 8.365 ( -0.000 17.791 1.665) 17.868 9.184 ( -0.000 10.337 2.765) 10.701 9.578 ( 0.000 7.188 6.309) 9.564 10.470 ( -0.000 -7.278 -5.817) 9.317 11.284 ( -0.000 -11.985 -5.072) 13.015 12.153 ( 0.000 -8.453 10.726) 13.656 12.545 ( -0.000 -10.526 -10.180) 14.643 13.853 ( 0.000 1.087 1.042) 1.505 15.912 ( 0.000 -8.111 2.166) 8.395 16.775 ( 0.000 -0.172 0.070) 0.186 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 15.946 5.584 3.624) 17.280 3.770 ( 4.478 10.725 -3.535) 12.148 4.649 ( 5.588 -24.070 6.382) 25.521 4.888 ( -0.797 2.264 -4.231) 4.864 5.099 ( 11.837 0.127 -9.829) 15.386 6.200 ( -1.483 -3.133 2.393) 4.212 6.427 ( 4.144 1.211 -0.469) 4.342 7.507 ( 0.605 9.774 1.972) 9.989 8.476 ( -6.380 14.350 1.705) 15.797 9.232 ( -6.623 8.450 4.910) 11.806 9.622 ( -4.371 6.197 2.765) 8.072 10.221 ( -16.007 -9.000 -9.873) 20.850 11.324 ( 15.758 -7.098 -2.478) 17.459 12.075 ( -4.450 -6.308 12.316) 14.535 12.390 ( -3.348 -8.543 -10.046) 13.606 13.962 ( 10.679 2.267 0.554) 10.931 15.826 ( -1.465 -8.510 0.368) 8.643 16.720 ( -6.955 -0.154 1.401) 7.096 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( 6.980 5.576 1.985) 9.152 4.130 ( 24.864 3.200 -0.915) 25.086 4.622 ( 10.020 -12.049 0.945) 15.699 4.870 ( 3.029 -1.226 -1.788) 3.725 5.378 ( 20.976 3.063 -4.402) 21.651 6.203 ( 2.242 -0.950 5.396) 5.920 6.489 ( 3.431 -1.025 -0.695) 3.648 7.597 ( -1.177 7.678 1.926) 8.003 8.430 ( -13.447 8.939 1.547) 16.221 9.156 ( -11.681 3.070 5.356) 13.212 9.570 ( -9.932 6.263 -4.839) 12.700 9.804 ( -15.702 -8.823 -9.006) 20.137 11.543 ( 12.024 -0.307 0.123) 12.028 12.022 ( 1.573 -5.677 13.254) 14.505 12.213 ( -5.072 -6.217 -10.212) 12.987 14.232 ( 16.845 4.916 0.047) 17.547 15.700 ( -3.391 -9.208 -0.097) 9.813 16.551 ( -13.442 -0.413 1.346) 13.516 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 9.702 2.733 1.066) 10.136 4.482 ( 17.606 -3.938 1.178) 18.080 4.645 ( -0.276 -1.535 -3.621) 3.943 5.134 ( 27.853 2.747 2.018) 28.061 5.787 ( 24.681 3.680 -0.955) 24.972 6.252 ( 2.047 -1.496 2.837) 3.805 6.511 ( -0.031 -1.228 0.285) 1.261 7.612 ( -5.085 4.040 1.893) 6.764 8.214 ( -19.993 3.427 1.220) 20.321 8.937 ( -13.966 -2.368 -1.980) 14.303 9.350 ( -13.601 1.787 -4.444) 14.420 9.614 ( -3.025 -1.192 -2.128) 3.885 11.642 ( -3.425 3.304 5.288) 7.114 12.027 ( -0.819 -6.969 -5.596) 8.975 12.159 ( 9.270 -0.793 3.184) 9.833 14.591 ( 19.309 6.410 -0.199) 20.346 15.550 ( -3.881 -8.433 -0.016) 9.283 16.283 ( -18.579 -0.542 0.678) 18.599 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.299 ( 11.572 -0.000 -0.000) 11.572 4.551 ( -5.223 0.000 0.000) 5.223 4.755 ( 14.582 -0.000 -0.000) 14.582 5.666 ( 28.264 -0.000 -0.000) 28.264 6.231 ( 24.639 -0.000 -0.000) 24.639 6.254 ( 1.532 -0.000 -0.000) 1.532 6.432 ( -9.121 0.000 0.000) 9.121 7.500 ( -11.090 0.000 0.000) 11.090 7.857 ( -24.656 0.000 0.000) 24.656 8.772 ( -1.308 0.000 0.000) 1.308 9.202 ( -4.577 0.000 0.000) 4.577 9.570 ( -1.785 0.000 0.000) 1.785 11.532 ( -11.517 0.000 0.000) 11.517 12.000 ( 2.827 -0.000 -0.000) 2.827 12.317 ( 7.448 -0.000 -0.000) 7.448 14.961 ( 19.879 -0.000 -0.000) 19.879 15.447 ( -1.753 0.000 0.000) 1.753 15.943 ( -21.643 0.000 0.000) 21.643 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.608 ( -0.000 3.963 0.490) 3.993 3.818 ( -0.000 7.224 -1.137) 7.313 4.407 ( 0.000 -19.046 5.868) 19.930 4.922 ( -0.000 -3.747 -9.835) 10.525 4.940 ( -0.000 4.383 -1.553) 4.650 6.182 ( 0.000 -3.182 -0.306) 3.197 6.391 ( -0.000 0.011 -0.504) 0.505 7.598 ( -0.000 8.605 1.962) 8.826 8.658 ( -0.000 10.813 1.189) 10.878 9.391 ( 0.000 8.137 3.740) 8.955 9.729 ( 0.000 4.383 4.518) 6.295 10.290 ( -0.000 -6.729 -5.498) 8.689 11.067 ( -0.000 -7.005 -3.777) 7.959 12.110 ( 0.000 -3.751 11.223) 11.833 12.317 ( -0.000 -6.058 -10.331) 11.976 13.875 ( 0.000 0.612 0.605) 0.860 15.776 ( 0.000 -5.521 -0.560) 5.549 16.784 ( 0.000 0.040 1.656) 1.657 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.786 ( 16.810 1.505 1.561) 16.949 3.893 ( 3.242 3.952 -1.797) 5.418 4.348 ( 8.021 -9.350 2.824) 12.638 4.853 ( -1.015 -1.043 -3.620) 3.902 5.088 ( 13.529 1.294 -2.014) 13.739 6.174 ( 1.805 -0.972 1.302) 2.429 6.415 ( 3.169 -0.668 -0.957) 3.376 7.668 ( -0.167 4.554 1.006) 4.667 8.679 ( -7.399 5.420 0.668) 9.196 9.403 ( -8.004 4.761 4.172) 10.205 9.722 ( -5.257 2.504 1.020) 5.912 10.016 ( -19.572 -5.319 -5.742) 21.079 11.219 ( 20.330 -2.503 -1.113) 20.513 12.078 ( -4.449 -1.624 10.221) 11.265 12.206 ( -3.466 -3.516 -9.160) 10.405 13.997 ( 12.984 0.926 0.240) 13.019 15.704 ( -3.404 -3.445 -0.421) 4.862 16.728 ( -7.271 -0.031 0.967) 7.335 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.987 ( 6.487 -0.000 -0.000) 6.487 4.138 ( 21.881 -0.000 -0.000) 21.881 4.511 ( 14.427 -0.000 -0.000) 14.427 4.857 ( 4.907 -0.000 -0.000) 4.907 5.394 ( 22.374 -0.000 -0.000) 22.374 6.218 ( 2.787 -0.000 -0.000) 2.787 6.469 ( 3.651 -0.000 -0.000) 3.651 7.680 ( -1.300 0.000 0.000) 1.300 8.523 ( -14.467 0.000 0.000) 14.467 9.218 ( -17.467 0.000 0.000) 17.467 9.631 ( -19.913 0.000 0.000) 19.913 9.656 ( -3.820 0.000 0.000) 3.820 11.546 ( 17.222 -0.000 -0.000) 17.222 12.016 ( -3.803 0.000 0.000) 3.803 12.109 ( -2.523 0.000 0.000) 2.523 14.284 ( 19.591 -0.000 -0.000) 19.591 15.604 ( -5.860 0.000 0.000) 5.860 16.553 ( -13.783 0.000 0.000) 13.783 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.647 ( -0.000 0.000 0.000) 0.000 3.886 ( -0.000 0.000 -0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.846 ( -0.000 0.000 0.000) 0.000 4.977 ( -0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.384 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 8.769 ( 0.000 0.000 0.000) 0.000 9.495 ( 0.000 0.000 0.000) 0.000 9.789 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 10.984 ( 0.000 0.000 0.000) 0.000 12.138 ( -0.000 0.000 -0.000) 0.000 12.198 ( 0.000 0.000 0.000) 0.000 13.884 ( -0.000 0.000 0.000) 0.000 15.718 ( 0.000 0.000 0.000) 0.000 16.791 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 0.000 -0.000 38.824) 38.824 0.389 ( 0.000 -0.000 38.824) 38.824 0.624 ( 0.000 -0.000 62.390) 62.390 4.055 ( -0.000 0.000 -2.435) 2.435 4.055 ( -0.000 0.000 -2.435) 2.435 6.853 ( -0.000 0.000 -0.019) 0.019 6.853 ( -0.000 0.000 -0.019) 0.019 7.004 ( -0.000 0.000 -5.417) 5.417 9.075 ( -0.000 0.000 -1.078) 1.078 9.075 ( -0.000 0.000 -1.078) 1.078 10.579 ( -0.000 0.000 -5.924) 5.924 11.765 ( 0.000 -0.000 6.852) 6.852 12.405 ( 0.000 -0.000 0.999) 0.999 12.405 ( 0.000 -0.000 0.999) 0.999 13.829 ( -0.000 0.000 -0.436) 0.436 13.829 ( -0.000 0.000 -0.436) 0.436 14.103 ( -0.000 0.000 -0.429) 0.429 17.266 ( -0.000 0.000 -0.512) 0.512 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 26.366 15.223 13.373) 33.253 0.785 ( 19.900 11.489 26.015) 34.711 1.657 ( 52.411 30.259 35.193) 70.007 4.108 ( 4.552 2.628 -1.725) 5.532 4.236 ( 17.575 10.147 -5.322) 20.980 6.833 ( -1.609 -0.929 -0.222) 1.871 6.949 ( -3.054 -1.763 -7.236) 8.050 7.032 ( 6.268 3.619 -16.640) 18.146 8.564 ( -36.134 -20.862 4.354) 41.951 9.102 ( 1.786 1.031 0.246) 2.077 9.973 ( -22.415 -12.941 53.948) 59.835 10.620 ( 4.959 2.863 -5.806) 8.155 12.342 ( -4.788 -2.764 -0.562) 5.557 13.523 ( -10.590 -6.114 -14.693) 19.116 13.838 ( 0.301 0.174 0.479) 0.592 13.862 ( 0.454 0.262 -16.626) 16.634 14.626 ( 25.399 14.664 -1.928) 29.392 17.588 ( 10.714 6.185 -19.455) 23.056 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 28.343 16.364 10.710) 34.436 1.424 ( 28.983 16.733 4.207) 33.730 2.919 ( 51.272 29.602 28.309) 65.623 4.236 ( 7.230 4.174 -1.349) 8.456 4.732 ( 27.628 15.951 -8.969) 33.139 6.782 ( -2.896 -1.672 -0.376) 3.365 6.801 ( -8.630 -4.982 -6.061) 11.663 7.064 ( 2.416 1.395 -13.553) 13.837 7.845 ( -27.602 -15.936 -5.265) 32.304 9.153 ( 2.424 1.399 1.704) 3.277 9.771 ( -12.796 -7.388 25.745) 29.684 10.701 ( 2.545 1.469 -5.748) 6.455 12.197 ( -7.783 -4.493 -2.074) 9.223 13.174 ( -16.386 -9.460 -4.096) 19.359 13.722 ( -7.187 -4.150 -12.167) 14.728 13.844 ( 0.024 0.014 1.238) 1.239 15.048 ( 14.217 8.208 8.110) 18.310 17.657 ( 1.180 0.681 -8.344) 8.455 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 26.868 15.512 1.649) 31.068 2.077 ( 30.876 17.826 4.137) 35.891 4.076 ( 44.782 25.855 24.392) 57.174 4.405 ( 8.238 4.756 -1.546) 9.637 5.293 ( 23.497 13.566 -15.370) 31.182 6.560 ( -9.604 -5.545 3.100) 11.515 6.705 ( -3.860 -2.228 -0.371) 4.472 7.074 ( 1.339 0.773 -5.926) 6.125 7.354 ( -13.376 -7.722 -14.735) 21.346 9.216 ( 2.501 1.444 3.077) 4.220 9.540 ( -14.288 -8.249 16.099) 23.052 10.646 ( -5.818 -3.359 -10.264) 12.267 11.996 ( -9.351 -5.399 -3.278) 11.285 12.806 ( -15.760 -9.099 0.008) 18.198 13.504 ( -8.904 -5.141 -8.518) 13.352 13.847 ( -0.193 -0.111 1.660) 1.675 15.339 ( 9.901 5.716 7.930) 13.914 17.608 ( -3.745 -2.162 -2.377) 4.934 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 23.186 13.386 1.176) 26.798 2.770 ( 30.951 17.870 0.957) 35.752 4.576 ( 7.562 4.366 -2.234) 9.013 5.011 ( 31.435 18.149 16.867) 40.026 5.516 ( 2.224 1.284 -9.411) 9.755 6.606 ( 12.508 7.221 8.055) 16.537 6.612 ( -4.392 -2.536 -0.172) 5.075 6.981 ( -9.952 -5.746 1.899) 11.648 7.239 ( 8.755 5.055 -20.011) 22.419 9.262 ( -14.592 -8.425 11.174) 20.218 9.279 ( 2.092 1.208 4.057) 4.722 10.364 ( -15.371 -8.874 -17.140) 24.674 11.774 ( -9.380 -5.416 -3.963) 11.533 12.496 ( -12.466 -7.197 2.204) 14.562 13.289 ( -8.267 -4.773 -4.782) 10.676 13.848 ( -0.226 -0.131 1.704) 1.724 15.540 ( 6.313 3.645 5.518) 9.143 17.483 ( -7.157 -4.132 0.965) 8.321 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 18.653 10.769 1.401) 21.584 3.442 ( 29.739 17.170 -0.790) 34.348 4.715 ( 5.610 3.239 -2.959) 7.121 5.335 ( 1.371 0.791 -0.852) 1.798 5.742 ( 13.790 7.962 18.325) 24.277 6.515 ( -4.282 -2.472 0.077) 4.945 6.724 ( -8.685 -5.014 -9.592) 13.877 7.009 ( 16.238 9.375 5.679) 19.591 7.491 ( 16.644 9.610 -6.730) 20.364 8.990 ( -12.423 -7.173 8.165) 16.506 9.333 ( 1.404 0.811 4.413) 4.701 9.883 ( -21.203 -12.242 -21.853) 32.818 11.565 ( -8.076 -4.663 -4.015) 10.153 12.271 ( -8.769 -5.063 2.653) 10.467 13.112 ( -6.718 -3.879 -1.992) 8.009 13.849 ( -0.093 -0.054 1.452) 1.456 15.660 ( 3.404 1.965 2.816) 4.835 17.310 ( -8.749 -5.051 2.562) 10.422 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( 13.322 7.692 1.415) 15.448 4.075 ( 27.858 16.084 -1.840) 32.220 4.802 ( 3.272 1.889 -2.950) 4.793 5.413 ( 4.923 2.842 6.240) 8.441 5.921 ( -2.370 -1.368 8.521) 8.949 6.429 ( -3.414 -1.971 0.039) 3.943 6.523 ( -5.777 -3.335 -5.896) 8.902 7.364 ( 13.249 7.649 4.240) 15.876 7.831 ( 13.351 7.708 -4.127) 15.960 8.800 ( -6.218 -3.590 8.103) 10.827 9.347 ( -19.358 -11.176 -19.656) 29.766 9.370 ( 0.637 0.368 4.175) 4.239 11.398 ( -5.762 -3.327 -3.522) 7.528 12.119 ( -5.773 -3.333 1.797) 6.904 12.980 ( -4.821 -2.783 -0.922) 5.642 13.853 ( 0.040 0.023 1.050) 1.051 15.718 ( 1.541 0.890 0.672) 1.902 17.129 ( -8.155 -4.709 2.690) 9.794 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( 6.872 3.967 0.589) 7.957 4.658 ( 25.469 14.705 -2.650) 29.528 4.847 ( 1.685 0.973 -1.546) 2.485 5.460 ( -5.680 -3.279 -7.352) 9.852 5.806 ( -5.824 -3.362 7.446) 10.033 6.368 ( -1.984 -1.145 -0.550) 2.356 6.428 ( -2.271 -1.311 -2.212) 3.431 7.578 ( 4.786 2.763 1.491) 5.724 8.009 ( 4.946 2.855 -2.539) 6.250 8.784 ( 0.068 0.039 5.828) 5.828 8.981 ( -7.565 -4.368 -2.445) 9.071 9.388 ( -0.102 -0.059 3.586) 3.588 11.293 ( -2.727 -1.574 -2.722) 4.162 12.025 ( -3.118 -1.800 0.449) 3.629 12.893 ( -2.695 -1.556 -1.495) 3.453 13.857 ( 0.001 0.001 0.625) 0.625 15.741 ( 0.720 0.416 -0.411) 0.927 16.982 ( -5.441 -3.141 1.461) 6.450 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.740 ( -0.443 -0.256 -0.761) 0.917 4.874 ( 0.952 0.549 0.799) 1.358 5.100 ( -12.434 -7.179 -7.324) 16.118 5.188 ( 14.976 8.646 -8.496) 19.267 5.662 ( -9.552 -5.515 -11.174) 15.701 6.340 ( -0.237 -0.137 -1.524) 1.548 6.419 ( 1.616 0.933 1.617) 2.469 7.611 ( -0.875 -0.505 -2.156) 2.381 8.107 ( 3.341 1.929 8.271) 9.126 8.702 ( -3.674 -2.121 -5.551) 6.987 9.068 ( 7.224 4.171 22.976) 24.443 9.389 ( -0.816 -0.471 2.825) 2.978 11.263 ( 0.726 0.419 -1.794) 1.980 11.984 ( -0.488 -0.282 -0.973) 1.124 12.852 ( -0.248 -0.143 -2.929) 2.943 13.856 ( -0.221 -0.127 0.224) 0.339 15.752 ( 0.351 0.203 -0.286) 0.496 16.908 ( -1.164 -0.672 -0.884) 1.609 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.650 ( -7.211 -4.163 -1.234) 8.417 4.616 ( -22.638 -13.070 -8.212) 27.400 4.888 ( -0.498 -0.287 2.343) 2.412 5.338 ( -9.381 -5.416 -18.171) 21.155 5.578 ( 13.242 7.645 -11.537) 19.155 6.350 ( 1.777 1.026 -2.313) 3.092 6.479 ( 2.976 1.718 0.837) 3.537 7.531 ( -5.913 -3.414 -1.672) 7.030 8.135 ( -5.330 -3.077 7.649) 9.818 8.673 ( 1.768 1.021 3.616) 4.153 9.371 ( -1.552 -0.896 1.861) 2.584 9.380 ( 13.693 7.906 27.426) 31.657 11.314 ( 4.189 2.419 -0.744) 4.894 11.997 ( 2.189 1.264 -2.312) 3.425 12.866 ( 2.700 1.559 -4.071) 5.128 13.848 ( -0.461 -0.266 -0.171) 0.559 15.752 ( -0.451 -0.260 0.695) 0.868 16.928 ( 3.594 2.075 -3.732) 5.582 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( -12.793 -7.386 -0.111) 14.773 4.064 ( -25.546 -14.749 -4.337) 29.816 4.855 ( -3.308 -1.910 2.143) 4.380 5.170 ( 1.368 0.790 -15.112) 15.194 5.683 ( -2.080 -1.201 -12.103) 12.339 6.403 ( 3.760 2.171 -2.416) 4.969 6.563 ( 5.299 3.060 -5.214) 8.039 7.343 ( -11.068 -6.390 2.074) 12.947 7.940 ( -12.606 -7.278 7.599) 16.420 8.767 ( 4.540 2.621 5.425) 7.544 9.333 ( -2.225 -1.284 0.615) 2.641 9.838 ( 18.521 10.693 26.167) 33.794 11.440 ( 7.149 4.127 0.466) 8.268 12.068 ( 5.172 2.986 -3.203) 6.777 12.949 ( 6.071 3.505 -3.945) 8.044 13.836 ( -0.526 -0.304 -0.597) 0.852 15.729 ( -2.244 -1.296 1.892) 3.209 17.036 ( 7.454 4.303 -6.240) 10.631 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( -17.739 -10.241 2.286) 20.610 3.459 ( -28.360 -16.374 -0.546) 32.752 4.753 ( -6.314 -3.645 0.710) 7.325 5.277 ( -1.445 -0.834 -5.663) 5.904 5.433 ( -4.569 -2.638 -9.596) 10.951 6.495 ( 4.989 2.881 -1.861) 6.054 6.619 ( -0.123 -0.071 -17.653) 17.653 7.075 ( -12.827 -7.405 10.270) 18.023 7.724 ( -8.420 -4.861 13.793) 16.875 8.900 ( 6.821 3.938 -0.688) 7.907 9.278 ( -2.608 -1.506 -0.796) 3.115 10.312 ( 16.296 9.409 19.448) 27.062 11.625 ( 9.120 5.265 1.722) 10.671 12.213 ( 9.115 5.262 -2.804) 10.892 13.109 ( 9.330 5.387 -2.417) 11.041 13.823 ( -0.353 -0.204 -1.056) 1.132 15.658 ( -5.051 -2.916 3.013) 6.565 17.202 ( 9.390 5.421 -7.919) 13.427 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -22.537 -13.012 5.461) 26.591 2.811 ( -30.637 -17.688 3.445) 35.544 4.589 ( -8.215 -4.743 -1.039) 9.542 4.656 ( -36.704 -21.191 -13.495) 44.479 5.767 ( 13.503 7.796 12.536) 20.007 6.338 ( -12.750 -7.361 -17.587) 22.936 6.603 ( 5.079 2.932 -1.060) 5.960 6.984 ( 0.982 0.567 3.126) 3.325 7.688 ( -0.208 -0.120 21.757) 21.759 9.057 ( 8.496 4.905 -9.392) 13.582 9.216 ( -2.567 -1.482 -2.032) 3.593 10.647 ( 9.066 5.234 10.271) 14.666 11.844 ( 9.786 5.650 2.753) 11.630 12.461 ( 13.885 8.017 -0.953) 16.061 13.339 ( 11.671 6.738 -0.434) 13.483 13.814 ( -0.041 -0.024 -1.483) 1.483 15.521 ( -8.541 -4.931 4.324) 10.768 17.383 ( 9.208 5.316 -8.822) 13.816 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -27.121 -15.658 9.140) 32.623 2.135 ( -32.113 -18.540 7.945) 37.922 3.673 ( -47.533 -27.443 -13.030) 56.412 4.397 ( -8.362 -4.828 -2.432) 9.957 5.500 ( -29.525 -17.046 3.034) 34.228 6.522 ( 20.458 11.811 0.820) 23.637 6.705 ( 4.284 2.473 -0.379) 4.961 7.044 ( 3.934 2.271 -4.290) 6.248 7.871 ( 9.757 5.633 30.774) 32.772 9.155 ( -2.144 -1.238 -2.729) 3.685 9.193 ( 7.495 4.327 -18.133) 20.092 10.780 ( 1.364 0.788 2.632) 3.067 12.064 ( 8.988 5.189 3.275) 10.883 12.809 ( 17.371 10.029 0.290) 20.060 13.607 ( 12.194 7.040 0.339) 14.084 13.811 ( 0.259 0.149 -1.745) 1.770 15.310 ( -12.107 -6.990 6.314) 15.339 17.539 ( 7.461 4.308 -9.335) 12.703 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -32.196 -18.588 13.760) 39.642 1.527 ( -30.893 -17.836 13.697) 38.211 2.503 ( -54.227 -31.308 -9.626) 63.352 4.218 ( -6.650 -3.839 -3.117) 8.287 4.834 ( -29.235 -16.879 0.828) 33.768 6.786 ( 3.016 1.741 0.012) 3.483 6.868 ( 9.502 5.486 0.822) 11.003 7.117 ( 4.144 2.393 -8.163) 9.462 8.347 ( 21.631 12.489 42.397) 49.208 9.106 ( -1.416 -0.818 -2.731) 3.183 9.243 ( 3.005 1.735 -24.868) 25.109 10.750 ( -3.549 -2.049 -1.531) 4.374 12.251 ( 6.723 3.882 3.128) 8.370 13.208 ( 18.261 10.543 -1.076) 21.114 13.814 ( 0.457 0.264 -1.691) 1.772 13.856 ( 10.001 5.774 -2.202) 11.756 15.035 ( -14.933 -8.622 8.832) 19.374 17.645 ( 4.977 2.874 -10.690) 12.137 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 0.000 36.550 16.322) 40.029 1.135 ( 0.000 32.057 28.425) 42.844 1.520 ( 0.000 43.017 39.334) 58.290 4.052 ( -0.000 3.319 -5.382) 6.323 4.266 ( -0.000 22.098 -3.086) 22.312 6.837 ( 0.000 -1.772 0.011) 1.773 6.927 ( -0.000 -1.080 -10.037) 10.094 6.973 ( -0.000 3.491 -11.136) 11.670 8.989 ( -0.000 -2.746 -7.969) 8.429 9.053 ( -0.000 0.079 -2.623) 2.624 9.837 ( 0.000 -64.274 64.262) 90.889 10.591 ( -0.000 5.176 -7.413) 9.041 12.398 ( 0.000 -3.232 2.738) 4.236 13.437 ( -0.000 -6.167 -19.537) 20.487 13.807 ( -0.000 -0.921 -1.386) 1.664 13.867 ( -0.000 0.201 -9.852) 9.854 14.683 ( -0.000 38.718 -1.609) 38.752 17.443 ( -0.000 6.095 -18.888) 19.847 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.596 27.191 26.997) 38.321 1.517 ( 6.790 41.496 6.715) 42.581 2.531 ( 42.401 37.468 28.629) 63.414 4.169 ( 8.803 6.000 -5.841) 12.149 4.566 ( 9.881 26.552 -4.816) 28.737 6.793 ( -2.241 -3.109 -0.573) 3.875 6.848 ( -3.900 -2.834 -7.699) 9.084 6.974 ( 2.646 -0.480 -12.421) 12.708 8.357 ( -44.510 -6.647 0.317) 45.005 9.081 ( 3.550 -4.270 2.670) 6.161 9.748 ( 10.371 -28.075 26.275) 39.827 10.654 ( 3.372 4.352 -6.758) 8.717 12.292 ( -7.643 -3.989 1.075) 8.688 13.237 ( -7.240 -14.090 -7.489) 17.522 13.727 ( -5.061 -4.852 -9.094) 11.483 13.833 ( 1.039 -1.565 -1.948) 2.706 15.064 ( 5.440 23.024 9.553) 25.514 17.502 ( 8.794 -3.254 -15.100) 17.775 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 16.417 24.832 16.216) 33.899 2.069 ( 12.107 35.930 2.979) 38.032 3.657 ( 42.982 27.916 22.295) 55.891 4.381 ( 8.668 11.934 -4.116) 15.313 5.029 ( 18.373 21.478 -9.452) 29.803 6.676 ( -8.246 -3.211 -1.533) 8.981 6.725 ( -3.208 -4.819 -1.006) 5.876 6.975 ( 4.251 -1.809 -12.251) 13.094 7.658 ( -31.969 -3.631 -1.398) 32.205 9.116 ( 5.288 -6.728 4.235) 9.548 9.670 ( -2.773 -13.286 11.851) 18.018 10.670 ( -2.603 0.128 -8.829) 9.206 12.102 ( -9.912 -4.766 -0.790) 11.026 12.918 ( -11.825 -14.589 -0.800) 18.797 13.530 ( -6.360 -8.158 -9.698) 14.180 13.844 ( 1.320 -0.216 0.235) 1.358 15.356 ( 3.733 15.023 11.889) 19.519 17.527 ( 5.125 -7.987 -8.630) 12.828 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 21.553 23.566 8.578) 33.067 2.614 ( 15.410 29.039 1.737) 32.920 4.429 ( 17.477 6.783 3.163) 19.012 4.802 ( 25.074 25.533 6.722) 36.412 5.410 ( 10.637 10.601 -8.860) 17.437 6.562 ( -2.569 -0.818 7.317) 7.798 6.635 ( -0.699 -3.393 -0.122) 3.466 7.025 ( 8.974 -1.219 -9.157) 12.879 7.220 ( -19.185 0.561 -4.534) 19.721 9.132 ( 3.565 -10.362 4.988) 12.040 9.525 ( -7.882 -2.044 6.364) 10.335 10.480 ( -12.878 -5.266 -14.767) 20.289 11.877 ( -10.665 -5.158 -2.047) 12.022 12.595 ( -10.851 -13.026 2.458) 17.130 13.319 ( -5.619 -8.618 -6.946) 12.413 13.869 ( 0.417 1.818 0.779) 2.022 15.556 ( 1.840 9.672 9.609) 13.758 17.463 ( 0.557 -10.742 -3.530) 11.321 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 14.674 23.741 4.359) 28.249 3.175 ( 23.292 21.660 0.979) 31.822 4.652 ( 6.582 5.817 -2.858) 9.237 5.286 ( 8.049 6.305 -8.957) 13.593 5.696 ( 12.487 15.432 18.429) 27.087 6.485 ( -1.141 -9.761 1.376) 9.924 6.722 ( 4.164 -0.164 -3.786) 5.630 6.999 ( -6.309 6.603 -0.403) 9.142 7.237 ( 17.998 3.422 -1.674) 18.396 9.040 ( -3.637 -11.196 3.722) 12.346 9.455 ( -5.033 5.697 5.215) 9.219 10.063 ( -20.894 -9.281 -19.995) 30.373 11.648 ( -9.518 -5.240 -3.029) 11.279 12.336 ( -8.046 -10.752 3.700) 13.930 13.140 ( -4.357 -7.722 -3.944) 9.704 13.898 ( -0.958 4.589 0.895) 4.773 15.669 ( 0.350 5.069 6.107) 7.944 17.326 ( -2.623 -12.344 -0.303) 12.623 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( 8.739 20.076 3.062) 22.109 3.782 ( 25.959 18.387 -1.190) 31.834 4.774 ( 3.453 5.098 -3.432) 7.049 5.397 ( 4.297 5.829 0.802) 7.286 5.992 ( 0.353 7.136 9.691) 12.040 6.384 ( 0.622 -10.706 1.426) 10.818 6.600 ( -8.540 -2.118 -7.320) 11.445 7.196 ( 14.843 5.900 5.243) 16.811 7.607 ( 19.016 4.476 0.943) 19.558 8.868 ( -6.323 -6.901 1.854) 9.541 9.468 ( -4.037 6.013 0.978) 7.308 9.542 ( -21.315 -7.368 -14.274) 26.690 11.455 ( -6.809 -4.008 -3.691) 8.720 12.139 ( -5.311 -10.040 3.445) 11.869 13.001 ( -3.186 -6.080 -2.315) 7.244 13.930 ( -2.619 7.631 0.799) 8.108 15.713 ( -0.129 1.159 2.794) 3.027 17.152 ( -3.718 -12.620 1.225) 13.214 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( 3.600 15.397 1.837) 15.919 4.354 ( 24.589 13.834 -3.686) 28.453 4.856 ( 2.017 5.986 -2.159) 6.675 5.518 ( -0.670 6.844 -3.217) 7.592 5.937 ( -9.589 0.001 2.966) 10.037 6.307 ( 1.625 -10.788 1.885) 11.071 6.450 ( -4.660 -2.170 -3.588) 6.269 7.487 ( 10.657 2.366 4.708) 11.889 7.885 ( 11.300 0.843 -1.327) 11.409 8.755 ( -0.500 -5.490 3.176) 6.362 9.125 ( -13.702 -1.469 -8.924) 16.418 9.511 ( -4.351 8.639 7.686) 12.355 11.328 ( -3.975 -1.096 -3.708) 5.545 11.989 ( -1.832 -10.978 2.329) 11.371 12.901 ( -2.066 -4.196 -2.442) 5.276 13.959 ( -4.501 10.223 0.627) 11.187 15.717 ( 0.611 -1.673 0.449) 1.837 16.984 ( -2.612 -11.521 1.225) 11.877 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.814 ( -2.640 10.294 -0.163) 10.629 4.747 ( 12.485 -0.708 -4.270) 13.214 5.019 ( 9.613 13.395 -1.794) 16.585 5.370 ( -17.439 5.676 -13.682) 22.881 5.771 ( -11.542 -2.575 -6.234) 13.368 6.245 ( 3.002 -10.615 -0.429) 11.040 6.393 ( 1.550 -1.670 0.801) 2.415 7.598 ( 1.958 -0.044 -0.939) 2.172 8.042 ( 8.054 -1.372 6.788) 10.622 8.722 ( -0.836 -3.079 2.221) 3.887 9.038 ( 2.065 2.337 7.539) 8.159 9.548 ( -5.485 10.352 9.328) 14.975 11.278 ( -1.604 2.623 -2.888) 4.219 11.889 ( 2.627 -11.963 0.653) 12.265 12.836 ( -0.549 -2.553 -3.779) 4.593 13.976 ( -6.299 11.533 0.425) 13.148 15.714 ( 1.944 -3.000 -0.485) 3.607 16.866 ( 0.408 -9.340 -0.124) 9.349 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( -8.820 5.572 -1.575) 10.550 4.749 ( -7.434 -8.306 -6.910) 13.115 4.995 ( -11.195 1.805 -3.227) 11.790 5.420 ( -4.102 5.887 -10.923) 13.069 5.464 ( -0.647 8.291 -18.171) 19.984 6.212 ( 6.115 -10.864 -2.217) 12.662 6.448 ( 3.517 1.155 1.662) 4.058 7.569 ( -3.350 -3.626 -0.630) 4.976 8.136 ( 2.444 -6.896 9.613) 12.081 8.723 ( -0.821 5.280 5.829) 7.907 9.200 ( 10.231 0.041 11.041) 15.053 9.603 ( -4.642 12.381 14.669) 19.748 11.303 ( 0.687 5.514 -1.387) 5.727 11.856 ( 7.045 -11.205 -1.368) 13.307 12.813 ( 1.950 -1.307 -5.256) 5.757 13.972 ( -7.405 11.099 0.173) 13.344 15.723 ( 2.449 -2.841 0.041) 3.751 16.826 ( 4.710 -6.607 -2.467) 8.481 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( -14.131 2.450 -1.039) 14.379 4.335 ( -23.912 -9.663 -7.458) 26.848 4.923 ( -4.025 1.330 1.866) 4.631 5.158 ( -5.712 1.184 -19.709) 20.554 5.682 ( 2.266 10.589 -10.303) 14.947 6.228 ( 9.325 -10.589 -3.296) 14.490 6.529 ( 3.291 4.884 -2.911) 6.569 7.414 ( -7.424 -9.383 1.234) 12.028 8.027 ( -6.678 -13.137 9.152) 17.347 8.817 ( 0.064 8.871 7.196) 11.423 9.356 ( 2.380 1.536 3.128) 4.220 9.810 ( 8.579 13.194 23.978) 28.682 11.394 ( 3.609 6.221 0.252) 7.196 11.900 ( 10.271 -7.963 -3.065) 13.353 12.848 ( 5.679 -0.225 -5.733) 8.072 13.946 ( -7.360 9.242 -0.135) 11.815 15.733 ( 0.950 -1.982 1.564) 2.698 16.879 ( 9.169 -3.854 -5.112) 11.183 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( -19.562 0.624 1.344) 19.618 3.782 ( -27.679 -11.455 -3.863) 30.203 4.843 ( -6.817 -1.125 0.893) 6.967 5.194 ( 9.349 9.827 -8.035) 15.765 5.601 ( -15.317 1.543 -10.664) 18.727 6.284 ( 10.517 -10.559 -4.740) 15.639 6.628 ( 2.189 9.229 -11.157) 14.643 7.174 ( -8.608 -14.181 6.093) 17.673 7.791 ( -7.504 -14.680 12.136) 20.472 8.922 ( -0.273 9.279 3.855) 10.051 9.355 ( -4.162 3.074 0.133) 5.176 10.220 ( 14.848 11.155 20.417) 27.600 11.541 ( 7.097 5.265 1.431) 8.952 12.025 ( 12.762 -3.453 -3.240) 13.612 12.964 ( 9.964 0.978 -4.725) 11.071 13.908 ( -6.249 6.767 -0.474) 9.223 15.715 ( -2.439 -1.414 3.391) 4.410 17.014 ( 12.265 -1.460 -7.218) 14.307 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( -26.804 -5.386 4.110) 27.647 3.206 ( -28.136 -8.218 0.338) 29.314 4.669 ( -11.151 -6.051 -1.214) 12.745 5.127 ( -32.862 -1.117 -9.017) 34.095 5.593 ( 20.269 13.264 5.709) 24.887 6.284 ( 2.737 -13.098 -12.252) 18.143 6.640 ( -5.233 5.901 -9.356) 12.237 6.976 ( -1.376 -8.232 7.322) 11.103 7.654 ( 2.359 -12.434 15.327) 19.877 8.997 ( -0.477 5.520 -1.032) 5.636 9.318 ( -4.146 6.160 -2.262) 7.762 10.581 ( 10.671 6.960 11.326) 17.046 11.735 ( 9.845 4.330 2.073) 10.953 12.241 ( 16.168 0.387 -1.355) 16.229 13.162 ( 13.467 2.097 -3.023) 13.961 13.869 ( -4.519 4.366 -0.799) 6.335 15.640 ( -6.811 -1.602 5.234) 8.738 17.196 ( 12.944 0.401 -8.372) 15.421 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -31.426 -15.427 6.253) 35.562 2.704 ( -30.722 -0.077 5.090) 31.141 4.173 ( -38.727 -16.230 -5.316) 42.325 4.625 ( -21.207 5.588 -4.280) 22.345 5.777 ( -19.129 -13.630 3.322) 23.721 6.281 ( 20.913 11.143 -3.384) 23.937 6.644 ( 3.998 0.352 -0.140) 4.016 6.986 ( 3.513 0.470 -2.661) 4.432 7.739 ( 13.545 -8.989 17.822) 24.122 8.990 ( -0.486 -2.410 -4.979) 5.553 9.340 ( -2.552 11.692 -4.836) 12.907 10.767 ( 3.721 2.383 2.769) 5.215 11.951 ( 10.556 3.260 2.297) 11.284 12.556 ( 19.847 2.599 0.489) 20.022 13.415 ( 15.027 2.316 -2.284) 15.375 13.839 ( -2.613 2.516 -1.019) 3.768 15.491 ( -11.310 -2.511 7.224) 13.653 17.381 ( 11.220 1.919 -8.695) 14.324 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -32.158 -16.785 10.502) 37.765 2.173 ( -35.956 -0.907 5.737) 36.422 3.226 ( -55.573 -9.046 0.572) 56.307 4.386 ( -13.634 4.111 -3.643) 14.699 5.190 ( -30.604 -12.639 -1.342) 33.139 6.698 ( 12.036 3.882 0.864) 12.676 6.740 ( 8.940 1.051 0.529) 9.017 7.052 ( 3.912 3.200 -7.133) 8.743 8.046 ( 25.933 -10.179 17.396) 32.844 8.943 ( 1.241 -2.396 -3.543) 4.453 9.401 ( -2.735 13.054 -4.043) 13.937 10.787 ( -2.019 -0.112 -2.146) 2.949 12.147 ( 9.451 0.960 1.925) 9.693 12.932 ( 21.582 2.844 -0.166) 21.769 13.663 ( 13.325 0.778 -3.952) 13.921 13.829 ( -0.352 1.759 -1.152) 2.131 15.267 ( -15.213 -3.908 9.053) 18.130 17.538 ( 7.758 3.644 -8.774) 12.266 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.000 32.579 15.300) 35.993 1.900 ( 0.000 29.672 21.718) 36.771 2.640 ( 0.000 50.967 21.641) 55.372 4.113 ( -0.000 7.452 -7.283) 10.420 4.781 ( -0.000 32.125 -5.166) 32.538 6.782 ( 0.000 -3.913 -0.378) 3.931 6.832 ( -0.000 -3.125 -5.670) 6.474 6.896 ( -0.000 -2.501 -10.587) 10.879 8.834 ( -0.000 -7.315 -15.759) 17.374 9.055 ( -0.000 2.082 -2.145) 2.989 9.226 ( 0.000 -38.647 39.995) 55.616 10.651 ( -0.000 5.552 -7.204) 9.095 12.309 ( 0.000 -8.019 2.354) 8.357 13.131 ( -0.000 -14.555 -5.892) 15.702 13.710 ( -0.000 -9.074 -8.593) 12.497 13.783 ( -0.000 -0.400 -1.163) 1.230 15.301 ( 0.000 23.270 14.107) 27.212 17.324 ( -0.000 -4.095 -17.542) 18.013 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -1.662 28.722 19.096) 34.531 2.305 ( 5.548 33.801 9.244) 35.478 3.437 ( 27.116 40.420 16.790) 51.487 4.269 ( 11.107 9.511 -7.855) 16.599 5.096 ( 3.773 30.164 -6.410) 31.068 6.706 ( -2.686 -7.121 -0.115) 7.612 6.754 ( -2.672 -4.610 0.177) 5.331 6.860 ( 1.096 -0.768 -11.102) 11.182 8.221 ( -37.938 -9.033 0.293) 39.000 8.985 ( 2.966 -7.848 5.266) 9.906 9.419 ( 17.402 -15.433 6.492) 24.148 10.678 ( -0.353 2.821 -7.753) 8.258 12.180 ( -5.566 -8.567 1.182) 10.284 12.922 ( -6.464 -15.620 -0.673) 16.918 13.516 ( -6.302 -10.751 -8.771) 15.239 13.805 ( 2.486 -0.023 -0.986) 2.674 15.549 ( -0.616 17.625 16.772) 24.338 17.285 ( 7.248 -8.388 -14.944) 18.607 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 10.174 28.297 13.401) 32.921 2.751 ( 7.235 31.238 5.687) 32.565 4.222 ( 21.746 19.883 6.840) 30.249 4.619 ( 21.116 17.024 -7.568) 28.160 5.416 ( 5.755 22.602 -3.238) 23.547 6.569 ( -2.539 -12.188 1.777) 12.576 6.694 ( -3.232 1.970 7.181) 8.118 6.837 ( 3.177 -3.147 -10.436) 11.354 7.625 ( -27.623 -0.698 2.272) 27.725 8.997 ( 4.399 -6.356 2.156) 8.024 9.492 ( 5.691 -8.681 0.277) 10.384 10.581 ( -8.912 -2.353 -12.029) 15.154 11.991 ( -8.566 -7.034 0.838) 11.116 12.638 ( -9.479 -14.945 3.608) 18.062 13.281 ( -5.062 -11.565 -8.220) 15.064 13.856 ( 2.958 1.844 -0.643) 3.545 15.720 ( -2.677 12.628 14.869) 19.690 17.259 ( 6.178 -13.029 -9.591) 17.317 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( 17.401 27.401 7.234) 33.256 3.171 ( 7.606 26.858 5.177) 28.390 4.578 ( 9.152 8.257 -2.489) 12.575 5.111 ( 17.896 11.787 -14.096) 25.650 5.738 ( 9.404 19.011 13.068) 24.912 6.412 ( -1.890 -14.231 3.324) 14.735 6.718 ( -3.514 4.944 6.591) 8.957 6.888 ( 13.666 -6.521 -7.547) 16.918 7.319 ( -14.585 8.580 5.710) 17.859 8.997 ( 0.384 -3.470 -1.342) 3.740 9.494 ( 2.858 -3.719 -0.930) 4.781 10.252 ( -18.587 -6.995 -17.800) 26.669 11.767 ( -11.031 -6.015 0.854) 12.593 12.379 ( -8.117 -11.381 5.574) 15.050 13.085 ( -2.403 -11.328 -5.890) 12.992 13.933 ( 2.613 4.787 -0.476) 5.475 15.799 ( -4.697 7.933 10.849) 14.237 17.170 ( 3.003 -16.436 -4.749) 17.369 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( 5.052 27.451 7.004) 28.778 3.577 ( 20.999 20.666 0.264) 29.464 4.743 ( 5.214 5.559 -4.688) 8.948 5.356 ( 8.432 8.347 -6.028) 13.308 6.086 ( 5.813 9.564 10.199) 15.142 6.265 ( -1.512 -12.544 2.824) 12.946 6.680 ( -5.231 -0.756 -0.366) 5.298 7.046 ( 11.891 0.157 0.046) 11.892 7.399 ( 8.741 8.129 10.430) 15.851 8.923 ( -5.654 -0.515 -4.867) 7.478 9.513 ( 2.010 -1.884 -4.349) 5.148 9.779 ( -20.342 -6.306 -15.063) 26.086 11.539 ( -9.569 -4.932 0.288) 10.769 12.175 ( -8.061 -8.526 5.792) 13.085 12.946 ( -0.403 -9.753 -3.818) 10.482 14.029 ( 1.320 8.726 -0.359) 8.833 15.794 ( -5.621 3.199 6.466) 9.145 17.023 ( 0.936 -18.224 -1.503) 18.310 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.838 ( 1.339 21.242 5.395) 21.957 4.111 ( 20.148 17.342 -4.039) 26.888 4.856 ( 4.412 6.054 -3.199) 8.146 5.563 ( 5.559 10.877 0.209) 12.217 6.136 ( 4.141 -17.792 7.040) 19.577 6.140 ( -10.469 6.684 -2.976) 12.773 6.540 ( -8.930 -0.803 -3.697) 9.698 7.319 ( 14.494 2.528 9.103) 17.301 7.668 ( 13.358 -0.382 5.003) 14.270 8.779 ( -7.340 -1.606 -4.873) 8.956 9.302 ( -13.052 -1.040 -17.788) 22.088 9.633 ( 0.616 2.196 6.376) 6.772 11.380 ( -5.285 -1.758 -0.625) 5.604 11.976 ( -8.004 -9.035 5.335) 13.197 12.853 ( 0.314 -7.246 -3.391) 8.007 14.135 ( -1.277 13.146 -0.138) 13.208 15.730 ( -4.454 -1.380 2.712) 5.395 16.857 ( 0.831 -18.242 0.043) 18.261 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.006 ( -4.354 15.876 1.807) 16.561 4.508 ( 15.604 5.744 -6.488) 17.849 5.019 ( 5.788 11.764 -0.680) 13.129 5.655 ( -8.140 11.172 -7.170) 15.572 5.957 ( -14.090 2.623 -7.633) 16.238 6.079 ( 3.537 -13.951 6.915) 15.968 6.379 ( -4.531 -2.025 -3.886) 6.303 7.531 ( 6.100 -0.656 3.964) 7.304 7.858 ( 12.123 -5.660 6.011) 14.667 8.695 ( 0.630 -2.072 5.709) 6.106 9.131 ( -6.143 6.996 -9.483) 13.289 9.700 ( 0.873 3.347 7.514) 8.272 11.332 ( -1.246 3.662 -1.056) 4.010 11.780 ( -5.312 -11.633 4.632) 13.601 12.788 ( 0.464 -5.143 -4.575) 6.899 14.226 ( -5.416 16.635 0.186) 17.496 15.657 ( -0.854 -4.737 0.254) 4.820 16.715 ( 2.584 -16.737 0.032) 16.935 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( -9.133 9.198 -1.999) 13.116 4.699 ( 6.034 0.401 -3.545) 7.010 5.142 ( -5.031 3.624 -5.053) 7.999 5.582 ( -9.220 10.465 -9.712) 16.996 5.649 ( -16.649 9.619 -16.257) 25.179 6.002 ( 2.754 -13.367 0.760) 13.669 6.395 ( 4.639 1.859 1.120) 5.122 7.557 ( -0.125 -5.308 1.653) 5.561 7.991 ( 8.633 -10.909 10.353) 17.341 8.785 ( 3.881 4.872 12.123) 13.629 9.147 ( 1.901 7.986 -2.901) 8.707 9.772 ( 0.558 3.486 9.389) 10.030 11.392 ( -0.421 10.959 -0.191) 10.969 11.625 ( 1.427 -15.334 3.117) 15.712 12.740 ( 1.447 -4.106 -6.376) 7.720 14.263 ( -9.911 16.954 0.350) 19.641 15.629 ( 3.447 -5.016 -0.411) 6.100 16.632 ( 5.806 -14.258 -1.244) 15.445 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( -12.249 4.870 -2.805) 13.477 4.621 ( -17.135 0.012 -4.215) 17.646 5.003 ( -5.188 -0.384 -1.433) 5.396 5.251 ( -12.789 0.833 -21.993) 25.455 5.789 ( -0.660 22.403 -7.225) 23.549 5.945 ( 7.178 -14.760 -0.331) 16.416 6.511 ( 4.359 6.352 -2.078) 7.980 7.432 ( -5.904 -11.943 2.749) 13.604 7.970 ( 0.434 -16.814 11.123) 20.164 8.942 ( 0.478 11.532 6.746) 13.368 9.314 ( 7.300 6.798 3.475) 10.563 9.874 ( 4.690 4.071 13.122) 14.517 11.463 ( -2.993 5.543 3.333) 7.127 11.615 ( 11.056 -6.537 -1.004) 12.884 12.725 ( 4.343 -3.635 -7.409) 9.326 14.225 ( -12.137 13.559 0.149) 18.199 15.667 ( 4.778 -2.338 0.771) 5.375 16.633 ( 10.008 -11.134 -3.301) 15.330 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( -15.237 3.605 -0.629) 15.670 4.169 ( -30.437 -3.516 -3.833) 30.879 4.937 ( -4.388 -0.900 0.369) 4.495 5.151 ( 2.570 9.496 -12.393) 15.823 5.831 ( -6.852 7.368 -12.692) 16.197 5.989 ( 7.410 -6.829 2.406) 10.360 6.645 ( 3.476 11.428 -8.140) 14.455 7.173 ( -8.491 -17.492 4.636) 19.989 7.783 ( -5.554 -19.460 12.849) 23.972 9.061 ( -1.661 12.534 2.343) 12.859 9.432 ( -0.639 3.318 0.932) 3.505 10.136 ( 14.112 6.389 14.762) 21.398 11.489 ( 4.855 -2.845 3.037) 6.394 11.785 ( 9.860 3.696 -1.270) 10.606 12.780 ( 8.951 -2.487 -6.555) 11.370 14.134 ( -11.384 8.879 -0.207) 14.439 15.724 ( 1.928 -0.013 2.876) 3.462 16.731 ( 14.062 -7.166 -5.211) 16.621 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( -23.146 3.081 3.264) 23.577 3.588 ( -30.037 -6.197 -2.579) 30.778 4.808 ( -9.660 -2.376 -0.374) 9.955 5.424 ( 16.534 15.813 1.027) 22.901 5.622 ( -23.003 7.175 -11.309) 26.618 6.015 ( 7.006 -13.124 -1.456) 14.949 6.755 ( -3.119 11.820 -14.117) 18.674 6.913 ( -2.104 -15.242 7.456) 17.098 7.557 ( -3.127 -18.594 14.354) 23.697 9.125 ( -4.794 8.834 0.657) 10.073 9.416 ( -2.609 3.132 -1.959) 4.522 10.473 ( 13.725 4.262 7.712) 16.310 11.603 ( 10.188 -1.523 2.592) 10.622 11.992 ( 12.009 2.938 -0.210) 12.365 12.933 ( 13.213 -0.367 -4.422) 13.938 14.027 ( -8.997 4.897 -0.477) 10.254 15.731 ( -2.843 0.012 4.662) 5.461 16.919 ( 15.989 -2.596 -5.840) 17.219 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -36.478 -5.183 3.575) 37.017 3.161 ( -23.524 -0.177 1.247) 23.557 4.547 ( -19.638 -3.528 -0.207) 19.954 5.158 ( -34.095 7.077 -5.435) 35.244 5.862 ( 1.120 -2.745 7.090) 7.685 6.003 ( 19.559 3.335 -6.214) 20.792 6.632 ( -5.232 -3.569 1.227) 6.451 6.930 ( 3.195 4.128 -5.262) 7.412 7.475 ( 7.908 -14.492 10.418) 19.521 9.062 ( -7.409 1.635 -1.447) 7.724 9.434 ( -0.115 6.121 -2.392) 6.573 10.689 ( 8.441 -0.071 -0.643) 8.466 11.792 ( 11.687 0.034 1.743) 11.817 12.253 ( 17.238 0.980 1.572) 17.338 13.166 ( 15.320 1.027 -3.187) 15.682 13.933 ( -6.096 2.123 -0.565) 6.479 15.655 ( -7.660 -1.491 5.875) 9.768 17.156 ( 14.953 1.552 -5.034) 15.854 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -36.469 -3.022 5.676) 37.032 2.706 ( -30.545 -3.612 -0.062) 30.757 4.053 ( -40.558 4.676 6.575) 41.353 4.709 ( -23.408 3.477 -2.103) 23.758 5.558 ( -21.997 -3.953 -6.695) 23.331 6.468 ( 19.756 2.778 5.858) 20.792 6.613 ( 4.921 -1.662 0.991) 5.288 7.005 ( 3.176 4.404 -5.155) 7.488 7.586 ( 16.841 -12.511 1.333) 21.022 8.973 ( -2.989 2.512 0.467) 3.932 9.486 ( 0.797 3.740 0.258) 3.833 10.761 ( 3.418 -2.332 -5.110) 6.575 11.978 ( 10.811 -1.676 0.359) 10.946 12.585 ( 20.946 -0.059 1.511) 21.000 13.417 ( 14.887 0.566 -4.272) 15.499 13.867 ( -3.108 0.594 -0.345) 3.183 15.490 ( -12.012 -3.090 6.791) 14.141 17.395 ( 11.746 4.508 -3.652) 13.100 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 0.000 27.408 12.583) 30.158 2.536 ( 0.000 23.620 15.092) 28.029 3.702 ( -0.000 47.645 10.127) 48.709 4.241 ( -0.000 10.945 -7.390) 13.206 5.329 ( -0.000 27.878 -9.019) 29.300 6.630 ( 0.000 -17.647 3.452) 17.982 6.682 ( 0.000 -6.023 -0.983) 6.103 6.892 ( -0.000 9.339 -5.909) 11.051 8.441 ( -0.000 -22.555 -7.838) 23.878 8.934 ( 0.000 -12.142 14.052) 18.571 9.115 ( -0.000 5.047 0.351) 5.059 10.688 ( -0.000 2.858 -6.981) 7.543 12.120 ( 0.000 -12.423 0.004) 12.423 12.830 ( 0.000 -15.132 1.239) 15.182 13.431 ( -0.000 -13.526 -8.965) 16.227 13.781 ( -0.000 0.574 0.005) 0.574 15.774 ( 0.000 13.778 20.373) 24.594 17.093 ( -0.000 -7.028 -17.647) 18.995 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 0.180 25.293 11.408) 27.747 2.911 ( 9.300 22.943 9.830) 26.637 4.226 ( 8.130 31.071 2.649) 32.226 4.450 ( 14.062 16.881 -7.608) 23.250 5.559 ( 2.385 22.297 -6.745) 23.417 6.452 ( 0.047 -22.040 7.230) 23.195 6.619 ( 1.123 -7.784 -1.362) 7.982 6.953 ( -5.052 13.271 -0.228) 14.202 8.012 ( -20.562 -11.016 -1.304) 23.364 8.894 ( 2.298 -2.866 1.344) 3.912 9.284 ( 9.346 -1.359 0.438) 9.455 10.647 ( -4.800 -0.514 -9.019) 10.230 11.983 ( -1.368 -12.017 -0.347) 12.100 12.642 ( -6.112 -14.847 4.857) 16.774 13.217 ( -4.870 -13.879 -8.946) 17.216 13.818 ( 3.060 1.658 -0.157) 3.483 15.933 ( -2.160 9.222 19.496) 21.674 17.008 ( 4.453 -9.359 -14.885) 18.138 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 10.023 24.866 6.195) 27.517 3.316 ( 9.617 22.449 9.474) 26.195 4.527 ( 6.462 12.633 -3.772) 14.683 4.892 ( 17.703 17.168 -13.459) 28.094 5.809 ( 6.084 15.833 4.435) 17.532 6.275 ( 1.084 -21.479 9.831) 23.647 6.598 ( 8.045 -8.747 -2.432) 12.130 6.959 ( -10.202 11.647 6.497) 16.791 7.674 ( -16.097 5.323 2.129) 17.087 8.942 ( 4.082 1.555 -4.405) 6.204 9.363 ( 4.226 -3.412 -2.600) 6.022 10.417 ( -14.853 -5.484 -14.818) 21.685 11.846 ( -4.449 -8.699 1.519) 9.888 12.413 ( -6.823 -12.327 7.691) 16.052 12.985 ( -3.256 -13.540 -7.682) 15.904 13.909 ( 4.683 4.099 -0.796) 6.274 16.005 ( -4.994 5.785 15.542) 17.320 16.928 ( 3.708 -13.934 -9.784) 17.425 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( 14.887 20.333 1.107) 25.225 3.731 ( 8.757 25.829 10.589) 29.257 4.685 ( 4.755 5.801 -7.520) 10.621 5.237 ( 13.630 11.660 -10.313) 20.691 5.974 ( 5.481 -14.769 9.354) 18.321 6.226 ( 4.124 0.962 7.155) 8.314 6.711 ( 11.862 -5.337 -4.062) 13.627 6.912 ( -7.096 8.530 12.699) 16.864 7.577 ( -9.302 13.221 5.823) 17.182 8.996 ( -0.876 6.069 -7.930) 10.024 9.369 ( 4.467 -6.584 -6.097) 10.024 9.993 ( -19.916 -7.245 -17.619) 27.560 11.662 ( -9.486 -6.217 3.787) 11.957 12.251 ( -5.823 -6.741 7.661) 11.749 12.812 ( 0.669 -13.079 -5.442) 14.182 14.044 ( 5.381 7.490 -1.216) 9.303 15.981 ( -8.168 3.040 10.744) 13.834 16.796 ( 2.207 -18.335 -5.281) 19.207 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.891 ( 14.296 13.785 1.689) 19.931 4.136 ( 4.097 27.035 4.025) 27.638 4.791 ( 7.381 3.784 -5.735) 10.084 5.538 ( 11.024 12.561 -0.674) 16.726 5.887 ( 5.380 -23.249 10.522) 26.080 6.311 ( -1.593 5.863 -5.012) 7.876 6.683 ( -7.831 -0.369 -0.783) 7.879 7.122 ( 14.413 4.331 12.650) 19.660 7.611 ( -2.369 7.005 8.164) 11.015 8.925 ( -11.023 4.276 -9.790) 15.351 9.327 ( 1.499 -6.270 -16.492) 17.708 9.644 ( -6.880 -2.995 -5.638) 9.386 11.478 ( -8.166 -3.016 5.560) 10.329 12.096 ( -9.952 -4.096 5.631) 12.146 12.723 ( 3.676 -10.537 -3.699) 11.757 14.220 ( 5.047 11.704 -1.256) 12.807 15.869 ( -10.339 0.164 6.115) 12.013 16.629 ( 2.346 -21.144 -2.159) 21.383 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.211 ( 4.579 12.704 6.483) 14.980 4.348 ( 3.957 10.583 -9.674) 14.874 5.015 ( 9.837 12.324 1.213) 15.815 5.738 ( 1.397 -5.192 5.557) 7.732 5.888 ( 10.494 -0.699 6.491) 12.359 6.236 ( -11.929 8.282 -12.089) 18.896 6.500 ( -12.005 -0.358 -4.782) 12.927 7.415 ( 11.366 -0.174 11.483) 16.158 7.654 ( 3.598 -4.860 6.010) 8.525 8.740 ( -6.452 0.303 -1.852) 6.720 9.245 ( -3.220 6.011 -16.248) 17.621 9.624 ( 6.101 -5.091 -0.100) 7.947 11.388 ( -3.425 -0.051 7.093) 7.877 11.890 ( -12.012 -2.913 3.928) 12.969 12.685 ( 3.060 -7.482 -4.179) 9.100 14.417 ( 2.371 16.430 -0.806) 16.619 15.699 ( -9.208 -3.415 2.342) 10.097 16.470 ( 4.123 -21.620 -0.593) 22.018 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.233 ( -9.125 6.662 -2.996) 11.688 4.562 ( 11.744 4.973 -1.670) 12.863 5.235 ( 0.691 7.495 0.815) 7.571 5.692 ( -0.976 -4.949 2.008) 5.429 5.933 ( -13.147 -4.449 -5.303) 14.858 6.072 ( -12.076 21.117 -12.948) 27.557 6.368 ( 0.342 4.162 -2.754) 5.002 7.501 ( 0.340 -6.287 5.132) 8.123 7.728 ( 11.743 -13.910 10.533) 21.032 8.782 ( 5.806 4.900 12.038) 14.235 9.231 ( -2.264 10.528 -12.552) 16.538 9.687 ( 8.118 -6.869 -0.833) 10.667 11.389 ( 1.279 -4.379 8.095) 9.292 11.711 ( -10.466 5.528 3.199) 12.261 12.642 ( 1.764 -6.486 -6.317) 9.224 14.576 ( -5.060 19.447 0.043) 20.094 15.552 ( -2.222 -5.795 -0.019) 6.206 16.358 ( 6.884 -20.057 -0.528) 21.212 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( -10.395 2.646 -4.040) 11.462 4.756 ( 4.644 5.285 1.521) 7.198 5.150 ( -12.611 -0.327 -1.876) 12.754 5.447 ( -18.420 0.610 -22.324) 28.948 5.755 ( 0.108 -10.850 7.911) 13.429 6.088 ( -8.324 26.619 -7.624) 28.914 6.503 ( 5.059 11.066 -4.116) 12.845 7.394 ( -3.309 -14.034 4.662) 15.154 7.769 ( 7.084 -19.487 11.922) 23.918 9.028 ( 6.520 10.581 11.927) 17.226 9.305 ( 3.240 10.722 -5.171) 12.337 9.758 ( 9.768 -7.186 -0.750) 12.150 11.344 ( 2.226 -14.216 5.252) 15.318 11.726 ( -4.610 18.542 5.651) 19.925 12.586 ( 2.915 -7.178 -8.326) 11.373 14.584 ( -14.008 15.123 0.312) 20.616 15.551 ( 6.299 -1.775 -0.018) 6.544 16.319 ( 10.528 -16.906 -1.582) 19.979 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.927 ( -11.277 1.717 -1.801) 11.548 4.672 ( -27.495 4.358 0.574) 27.844 4.957 ( -0.999 -2.693 -2.136) 3.580 5.210 ( -4.864 8.221 -14.991) 17.775 5.684 ( 2.984 -12.362 2.728) 13.007 6.192 ( -7.610 22.922 -4.217) 24.518 6.681 ( 3.678 14.237 -7.088) 16.324 7.158 ( -7.931 -18.079 4.791) 20.315 7.670 ( 0.588 -22.216 12.803) 25.648 9.208 ( -0.125 12.822 1.200) 12.878 9.447 ( 2.614 3.008 0.393) 4.004 9.930 ( 17.113 -1.955 2.732) 17.440 11.292 ( 6.568 -12.320 3.191) 14.322 11.865 ( -2.909 16.424 5.503) 17.565 12.577 ( 7.866 -5.998 -7.632) 12.494 14.438 ( -15.569 7.815 -0.179) 17.421 15.675 ( 5.960 2.337 1.976) 6.700 16.387 ( 15.115 -11.087 -2.977) 18.980 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( -13.395 1.400 1.113) 13.514 4.130 ( -36.431 -0.152 -0.789) 36.440 4.910 ( -4.294 -0.889 -0.929) 4.482 5.342 ( 10.079 14.489 -2.703) 17.856 5.640 ( 4.986 -10.508 -3.397) 12.117 6.181 ( -16.827 14.737 -0.538) 22.375 6.807 ( 1.148 -7.808 2.280) 8.214 6.902 ( -6.030 7.420 -8.255) 12.632 7.474 ( -3.398 -21.506 14.131) 25.956 9.289 ( -4.141 8.600 -0.459) 9.556 9.444 ( -0.508 -1.171 -2.807) 3.083 10.235 ( 18.150 -1.127 -0.812) 18.203 11.370 ( 12.264 -6.236 2.949) 14.071 11.959 ( -0.034 6.630 3.072) 7.307 12.699 ( 12.542 -0.565 -3.809) 13.120 14.248 ( -13.042 3.098 -0.502) 13.414 15.761 ( 1.201 0.417 3.356) 3.589 16.591 ( 18.263 -2.718 -2.923) 18.694 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( -27.928 -1.658 4.259) 28.299 3.522 ( -28.194 0.886 -1.717) 28.260 4.780 ( -10.656 0.307 -0.419) 10.669 5.578 ( 0.423 -4.772 -11.334) 12.305 5.768 ( 15.023 15.652 4.533) 22.163 5.892 ( -20.706 -2.393 10.914) 23.528 6.687 ( -2.851 -4.392 2.685) 5.884 6.990 ( -2.255 17.509 -12.390) 21.568 7.285 ( 0.559 -18.612 12.141) 22.229 9.195 ( -8.150 -1.846 -3.385) 9.016 9.459 ( 0.789 2.868 -0.916) 3.113 10.458 ( 14.432 -5.515 -8.587) 17.676 11.570 ( 13.931 -1.600 1.707) 14.126 12.060 ( 8.267 0.308 3.509) 8.986 12.925 ( 14.019 2.316 -1.706) 14.311 14.073 ( -9.585 0.279 -0.477) 9.601 15.745 ( -3.260 -2.284 3.734) 5.457 16.893 ( 17.870 3.280 -1.267) 18.213 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -36.891 1.934 2.960) 37.060 3.137 ( -25.627 -1.853 -0.873) 25.709 4.576 ( -16.479 4.846 1.914) 17.283 5.248 ( -33.459 3.023 1.942) 33.651 5.656 ( 0.436 -7.518 -7.033) 10.304 6.245 ( 15.896 8.332 12.572) 21.912 6.623 ( -5.359 3.649 1.399) 6.633 7.025 ( -2.455 4.456 0.253) 5.094 7.277 ( 9.695 -5.390 -5.736) 12.488 9.045 ( -4.371 -1.283 -2.521) 5.207 9.480 ( 0.483 -1.682 1.884) 2.572 10.566 ( 11.095 -7.785 -12.247) 18.268 11.766 ( 11.650 -2.887 -0.734) 12.025 12.281 ( 16.201 -0.215 3.819) 16.647 13.173 ( 13.898 1.487 -2.409) 14.184 13.938 ( -5.874 -1.331 -0.032) 6.023 15.641 ( -7.481 -3.198 4.244) 9.177 17.212 ( 15.170 5.317 0.444) 16.081 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 0.000 21.421 9.040) 23.251 3.000 ( 0.000 16.888 8.500) 18.906 4.425 ( -0.000 12.617 -5.950) 13.949 4.520 ( -0.000 33.374 -4.494) 33.675 5.711 ( -0.000 18.821 -5.882) 19.719 6.224 ( 0.000 -28.797 11.074) 30.853 6.545 ( 0.000 -7.322 -1.171) 7.415 7.146 ( -0.000 15.390 2.381) 15.573 8.018 ( -0.000 -12.490 -8.495) 15.105 8.885 ( 0.000 0.766 2.565) 2.677 9.252 ( 0.000 7.766 3.478) 8.510 10.660 ( -0.000 -0.859 -7.545) 7.594 11.844 ( 0.000 -15.032 -2.801) 15.291 12.576 ( 0.000 -13.971 6.592) 15.448 13.092 ( -0.000 -14.949 -9.711) 17.826 13.803 ( 0.000 1.194 1.054) 1.593 16.072 ( 0.000 2.439 19.388) 19.541 16.860 ( -0.000 -4.634 -14.799) 15.508 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 3.089 19.924 5.124) 20.803 3.325 ( 12.044 14.569 8.179) 20.596 4.565 ( 3.554 12.673 -4.710) 13.979 4.812 ( 7.209 19.278 -13.900) 24.836 5.843 ( 1.852 -4.873 4.509) 6.892 6.061 ( 4.769 -9.794 10.910) 15.418 6.463 ( -0.036 -7.264 -0.952) 7.326 7.231 ( -5.684 9.624 4.427) 12.022 7.894 ( -5.332 4.860 -5.132) 8.854 8.912 ( 0.271 4.924 -1.642) 5.198 9.344 ( -0.244 5.820 1.965) 6.148 10.534 ( -9.776 -4.367 -11.068) 15.399 11.733 ( 4.318 -12.821 -1.932) 13.666 12.424 ( -5.324 -12.820 9.317) 16.718 12.883 ( -3.410 -14.266 -9.251) 17.341 13.861 ( 4.553 2.517 0.517) 5.228 16.120 ( -0.438 -2.907 14.791) 15.080 16.779 ( -0.955 -4.384 -9.809) 10.787 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( 9.374 18.202 1.295) 20.515 3.739 ( 17.783 15.338 9.626) 25.380 4.685 ( 0.225 8.167 -8.719) 11.949 5.080 ( 13.877 11.561 -11.502) 21.413 5.716 ( 4.932 -28.914 12.491) 31.881 6.208 ( 3.582 4.983 7.342) 9.569 6.470 ( 8.540 -2.177 0.383) 8.821 7.208 ( -8.614 9.105 7.133) 14.422 7.882 ( -8.324 15.155 -0.319) 17.294 8.981 ( 3.322 5.552 -5.441) 8.454 9.343 ( -5.030 3.062 -2.561) 6.421 10.182 ( -18.433 -7.862 -16.334) 25.853 11.694 ( 0.757 -7.666 1.163) 7.791 12.269 ( -2.908 -9.336 10.920) 14.658 12.670 ( -2.269 -13.813 -7.644) 15.949 14.000 ( 7.260 5.778 -0.546) 9.295 16.103 ( -1.529 -6.039 10.476) 12.189 16.653 ( -4.573 -7.545 -5.519) 10.407 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.801 ( 11.896 13.246 0.371) 17.807 4.251 ( 17.029 20.235 9.610) 28.139 4.693 ( 1.074 1.861 -11.059) 11.266 5.408 ( 16.322 6.269 -1.135) 17.521 5.602 ( 7.113 -21.082 10.716) 24.696 6.298 ( 3.754 0.456 2.376) 4.466 6.621 ( 8.455 -3.564 0.203) 9.177 7.214 ( -5.914 12.949 10.925) 17.945 7.865 ( -11.264 13.005 2.898) 17.447 9.081 ( 4.186 5.904 -8.480) 11.148 9.195 ( -11.026 -3.374 -10.006) 15.267 9.763 ( -14.639 -5.425 -13.630) 20.725 11.598 ( -6.148 -3.300 5.701) 9.010 12.203 ( -3.921 -4.076 6.767) 8.820 12.521 ( 3.970 -13.522 -4.450) 14.779 14.203 ( 8.522 9.976 -1.234) 13.178 16.023 ( -4.415 -6.796 7.415) 10.984 16.450 ( -6.101 -12.492 -3.272) 14.282 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.117 ( 13.127 9.173 0.365) 16.018 4.506 ( -6.199 8.682 -3.413) 11.200 4.890 ( 18.737 7.675 3.339) 20.521 5.546 ( 10.392 -15.986 10.823) 21.924 5.802 ( 12.223 13.340 3.217) 18.377 6.347 ( 0.172 2.531 -7.130) 7.568 6.624 ( -2.788 -4.419 -2.430) 5.762 7.325 ( 2.022 6.367 12.142) 13.858 7.765 ( -12.521 4.585 4.150) 13.966 8.885 ( -13.132 -2.222 -9.933) 16.614 9.183 ( 6.470 1.815 -11.172) 13.037 9.553 ( -4.113 -1.599 -7.231) 8.471 11.502 ( -6.313 -0.260 10.272) 12.060 12.059 ( -9.261 -2.788 0.012) 9.672 12.514 ( 7.102 -8.911 -1.272) 11.466 14.461 ( 8.829 14.499 -1.401) 17.033 15.872 ( -9.974 -4.479 4.671) 11.890 16.215 ( -1.913 -19.179 -1.941) 19.371 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.395 ( 3.907 4.015 -8.242) 9.965 4.424 ( 0.536 4.975 3.673) 6.207 5.179 ( 10.066 -5.268 7.585) 13.660 5.679 ( 5.183 6.865 7.934) 11.702 6.071 ( -0.402 6.636 1.261) 6.767 6.294 ( -3.104 9.130 -15.566) 18.311 6.491 ( -7.025 3.790 -6.016) 9.995 7.438 ( 5.695 -6.033 11.429) 14.123 7.575 ( -10.181 -6.440 4.323) 12.799 8.782 ( 2.436 3.174 4.232) 5.824 9.259 ( 4.600 3.303 -12.348) 13.585 9.495 ( 1.835 -3.277 -6.282) 7.319 11.428 ( -6.295 -3.771 12.196) 14.234 11.920 ( -6.164 4.890 -0.972) 7.928 12.522 ( 2.999 -6.823 -3.049) 8.052 14.751 ( 6.348 19.058 -0.906) 20.108 15.641 ( -13.338 -3.618 1.552) 13.907 16.037 ( 5.522 -22.895 -0.556) 23.558 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.268 ( -9.374 1.685 -3.467) 10.135 4.657 ( 11.024 3.603 0.258) 11.601 5.223 ( 1.725 -7.470 5.555) 9.467 5.689 ( -14.954 2.932 -14.011) 20.701 5.860 ( -14.687 0.698 7.177) 16.361 6.453 ( -4.322 23.028 -7.440) 24.583 6.522 ( 5.295 16.098 -7.566) 18.559 7.339 ( -6.699 -14.574 5.886) 17.086 7.477 ( 7.934 -19.355 11.304) 23.777 9.008 ( 11.813 8.824 11.799) 18.885 9.326 ( 4.271 3.479 -9.712) 11.166 9.498 ( 6.111 -4.751 -7.527) 10.797 11.286 ( -6.056 -9.606 8.104) 13.951 11.971 ( -1.025 15.139 4.143) 15.730 12.454 ( -0.097 -8.715 -6.272) 10.738 14.948 ( -8.773 18.243 0.221) 20.244 15.464 ( -0.085 -2.005 -0.372) 2.041 15.958 ( 10.539 -20.829 -0.362) 23.346 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( -10.176 1.684 -0.292) 10.318 4.837 ( 7.789 1.205 -1.608) 8.044 5.125 ( -13.959 -2.090 4.618) 14.851 5.361 ( -12.868 5.579 -19.659) 24.149 5.676 ( -10.788 -4.270 12.489) 17.047 6.538 ( -8.399 23.504 -5.015) 25.459 6.763 ( 2.080 18.308 -8.824) 20.429 7.108 ( -4.032 -17.138 6.088) 18.629 7.426 ( 6.592 -23.976 12.098) 27.653 9.298 ( 5.359 11.192 2.724) 12.704 9.384 ( 5.362 -5.510 -5.484) 9.444 9.613 ( 14.529 0.643 -2.489) 14.754 11.152 ( -0.692 -8.490 4.650) 9.705 12.121 ( -5.432 14.926 6.819) 17.286 12.359 ( 6.221 -9.230 -7.651) 13.507 14.790 ( -19.102 5.392 -0.188) 19.850 15.598 ( 7.878 5.469 1.016) 9.644 16.007 ( 16.110 -12.311 -1.156) 20.308 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.960 ( -11.182 1.624 2.827) 11.647 4.696 ( -30.128 -2.601 -2.511) 30.344 4.926 ( 0.645 1.985 -0.988) 2.309 5.358 ( 2.969 13.376 -4.703) 14.486 5.535 ( -3.312 -6.772 8.544) 11.394 6.574 ( -12.240 16.070 -3.797) 20.554 6.719 ( -3.046 -14.336 3.399) 15.045 7.058 ( -2.093 14.029 -7.084) 15.855 7.337 ( 2.485 -17.735 12.795) 22.009 9.348 ( 1.622 -9.489 -6.450) 11.588 9.432 ( 0.618 8.669 -1.238) 8.778 9.890 ( 17.501 -2.282 -4.613) 18.242 11.170 ( 7.578 -1.740 3.768) 8.640 12.044 ( -5.585 -4.860 -0.090) 7.405 12.512 ( 10.760 5.923 0.718) 12.304 14.510 ( -16.756 0.118 -0.547) 16.765 15.720 ( 4.186 -1.574 1.646) 4.765 16.263 ( 19.461 2.220 -0.393) 19.591 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.770 ( -14.790 -0.516 3.976) 15.324 4.122 ( -35.416 0.464 -1.427) 35.448 4.906 ( -4.434 1.093 -1.501) 4.807 5.437 ( 0.406 -6.307 5.863) 8.621 5.685 ( 14.037 16.004 2.378) 21.420 6.281 ( -19.308 -11.478 7.859) 23.797 6.707 ( -0.237 7.948 -4.201) 8.993 7.095 ( 0.411 -1.987 -1.275) 2.397 7.280 ( -6.581 7.601 4.357) 10.957 9.219 ( -2.759 -10.136 -7.288) 12.786 9.490 ( -0.802 3.444 1.577) 3.871 10.078 ( 16.194 -9.075 -15.269) 24.036 11.363 ( 11.575 3.134 1.873) 12.137 11.954 ( 3.197 -7.395 2.491) 8.433 12.755 ( 10.723 5.916 1.558) 12.346 14.248 ( -12.943 -2.715 -0.452) 13.233 15.743 ( 1.172 -3.531 1.515) 4.017 16.636 ( 18.736 7.300 1.444) 20.160 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( -25.785 -5.092 3.090) 26.464 3.596 ( -30.408 7.901 -1.266) 31.443 4.802 ( -8.529 1.664 -1.333) 8.792 5.416 ( 2.987 -6.027 -0.757) 6.769 5.852 ( -23.489 -5.564 12.044) 26.977 6.125 ( 15.433 12.536 8.619) 21.671 6.766 ( -1.059 9.264 -6.903) 11.602 7.040 ( -0.663 -11.973 10.694) 16.067 7.289 ( -7.599 20.342 -8.363) 23.270 9.047 ( -2.724 -8.283 -6.293) 10.753 9.479 ( -2.015 -2.697 3.900) 5.152 10.178 ( 16.239 -12.624 -20.045) 28.721 11.557 ( 9.964 -0.997 -1.877) 10.188 12.059 ( 12.233 -1.509 5.393) 13.454 12.982 ( 11.004 2.945 0.294) 11.395 14.032 ( -8.698 -4.399 0.044) 9.748 15.705 ( -2.664 -2.717 1.914) 4.260 17.008 ( 16.654 6.622 2.836) 18.146 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 0.000 11.492 3.741) 12.086 3.369 ( 0.000 15.523 6.329) 16.764 4.628 ( -0.000 11.702 -4.341) 12.481 4.866 ( -0.000 11.611 -16.657) 20.304 5.620 ( 0.000 -34.427 13.680) 37.045 6.122 ( 0.000 15.566 4.862) 16.308 6.397 ( 0.000 -7.207 -0.619) 7.233 7.328 ( 0.000 1.811 1.139) 2.140 8.007 ( -0.000 16.203 -5.402) 17.080 8.987 ( -0.000 8.967 -0.995) 9.022 9.444 ( 0.000 8.671 5.417) 10.224 10.554 ( -0.000 -4.263 -9.089) 10.039 11.528 ( -0.000 -14.933 -4.575) 15.618 12.387 ( 0.000 -11.676 10.502) 15.704 12.747 ( -0.000 -13.764 -10.002) 17.014 13.835 ( 0.000 1.224 1.358) 1.828 16.093 ( 0.000 -8.741 7.478) 11.503 16.767 ( -0.000 0.882 -3.048) 3.173 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( 7.498 14.007 0.532) 15.897 3.600 ( 11.534 9.400 7.617) 16.716 4.739 ( 0.578 8.647 -6.246) 10.683 4.938 ( 7.827 5.490 -12.536) 15.765 5.368 ( 4.663 -33.852 14.068) 36.954 6.252 ( -1.151 3.170 4.033) 5.257 6.373 ( 4.534 1.127 0.967) 4.771 7.354 ( -0.357 5.350 1.672) 5.616 8.140 ( -4.192 19.389 -3.008) 20.064 9.052 ( -2.861 10.146 -1.126) 10.601 9.495 ( -5.423 7.554 2.688) 9.680 10.339 ( -14.629 -7.231 -12.915) 20.811 11.487 ( 10.898 -10.792 -2.831) 15.596 12.277 ( -4.253 -9.997 12.298) 16.409 12.563 ( -2.734 -12.460 -9.176) 15.714 13.916 ( 7.129 2.683 0.712) 7.650 16.023 ( 0.955 -11.106 3.089) 11.567 16.726 ( -5.930 0.308 0.980) 6.018 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( 8.004 11.624 0.301) 14.117 4.030 ( 25.274 8.929 7.286) 27.778 4.727 ( -3.760 2.870 -9.234) 10.375 5.125 ( 12.515 -14.409 7.935) 20.669 5.306 ( 15.100 -6.700 0.850) 16.542 6.256 ( 1.729 -2.006 5.179) 5.817 6.494 ( 5.662 0.805 0.573) 5.748 7.425 ( -1.702 10.027 3.586) 10.784 8.188 ( -10.046 15.774 -1.396) 18.753 9.078 ( -3.590 6.375 -0.466) 7.331 9.419 ( -11.866 6.550 -5.347) 14.571 9.922 ( -17.958 -7.884 -14.108) 24.159 11.583 ( 7.240 -4.091 0.051) 8.316 12.192 ( 0.332 -7.199 12.873) 14.753 12.366 ( -3.197 -12.217 -8.167) 15.039 14.117 ( 11.355 6.530 -0.163) 13.099 15.928 ( 0.791 -13.530 1.376) 13.622 16.576 ( -12.145 -1.357 2.074) 12.395 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( 10.406 7.922 0.086) 13.078 4.570 ( 25.607 3.679 9.392) 27.522 4.644 ( -4.716 0.813 -7.089) 8.553 5.204 ( 16.655 -13.890 9.815) 23.804 5.657 ( 20.164 8.932 -0.561) 22.061 6.300 ( 3.044 -1.645 2.320) 4.166 6.554 ( 2.691 -3.365 -0.351) 4.323 7.490 ( -4.067 9.359 5.213) 11.459 8.090 ( -15.947 9.332 -0.396) 18.481 8.991 ( -9.753 -4.455 -5.767) 12.175 9.233 ( -10.616 8.192 -8.355) 15.799 9.618 ( -7.988 -1.941 -8.268) 11.659 11.619 ( -1.955 1.146 6.408) 6.797 12.129 ( -6.233 -6.890 -4.875) 10.493 12.284 ( 9.785 -8.764 4.774) 13.976 14.404 ( 12.931 11.268 -0.712) 17.166 15.804 ( 0.965 -15.828 0.829) 15.879 16.319 ( -16.909 -2.917 1.688) 17.242 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.248 ( 11.704 4.808 -1.409) 12.731 4.544 ( -6.176 1.036 -2.680) 6.812 4.905 ( 15.766 -10.820 11.859) 22.500 5.559 ( 23.143 8.524 3.207) 24.871 6.063 ( 13.835 10.936 4.022) 18.088 6.316 ( 2.488 -0.432 -8.129) 8.512 6.498 ( -3.219 -6.590 -1.410) 7.468 7.480 ( -7.042 2.883 5.688) 9.501 7.839 ( -20.344 1.883 -0.368) 20.435 8.784 ( -3.233 -1.850 -3.182) 4.899 9.188 ( -1.147 2.209 -2.859) 3.791 9.510 ( -3.430 2.819 -8.396) 9.498 11.575 ( -8.377 -1.201 10.735) 13.669 11.979 ( -1.417 -1.290 -7.510) 7.751 12.385 ( 6.938 -5.282 2.480) 9.065 14.750 ( 13.264 15.842 -0.901) 20.682 15.676 ( 2.603 -16.865 0.758) 17.081 15.983 ( -19.392 -4.631 0.751) 19.952 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.408 ( -3.888 2.655 -3.698) 5.987 4.499 ( 7.933 0.879 1.005) 8.045 5.056 ( 10.519 -8.696 10.347) 17.127 5.847 ( -3.597 1.886 -11.588) 12.279 6.178 ( -12.074 8.010 6.091) 15.717 6.401 ( 13.102 5.186 -1.819) 14.208 6.562 ( 14.717 6.975 -3.519) 16.662 7.351 ( -7.576 -7.231 4.390) 11.356 7.472 ( -20.629 -6.126 0.803) 21.534 8.871 ( 11.520 1.236 2.497) 11.852 9.198 ( 3.078 -1.202 -0.188) 3.310 9.489 ( -1.167 5.968 -7.388) 9.569 11.385 ( -11.315 -6.654 5.388) 14.189 12.033 ( 5.058 6.203 -1.446) 8.133 12.398 ( -0.490 -4.214 -0.474) 4.268 15.127 ( 10.713 19.924 -0.537) 22.628 15.583 ( -1.439 -8.898 0.815) 9.051 15.616 ( -10.365 -13.922 -0.295) 17.359 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.298 ( -9.295 2.226 1.820) 9.730 4.670 ( 10.495 -0.924 -3.848) 11.216 5.166 ( 4.971 -2.125 8.679) 10.225 5.585 ( -15.094 0.885 -20.340) 25.344 5.983 ( -18.089 0.872 14.883) 23.441 6.796 ( 11.831 16.181 -4.285) 20.498 6.831 ( 6.795 10.953 -0.626) 12.904 7.070 ( -13.911 -11.144 2.618) 18.016 7.166 ( -2.578 -15.873 4.047) 16.582 9.048 ( 12.749 -9.730 -10.457) 19.146 9.325 ( 7.228 7.559 7.981) 13.156 9.537 ( 2.329 5.748 -1.448) 6.369 11.173 ( -7.328 -4.830 1.550) 8.912 12.159 ( 4.998 -6.984 -4.116) 9.524 12.334 ( -3.744 7.865 3.507) 9.390 15.157 ( -20.732 -0.330 -0.254) 20.736 15.531 ( 5.782 0.809 0.518) 5.861 15.637 ( 17.444 -0.201 -0.239) 17.447 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.167 ( -10.224 1.713 4.929) 11.478 4.771 ( 4.884 -3.520 -7.069) 9.285 5.150 ( -13.120 0.734 5.004) 14.061 5.417 ( 0.145 10.515 -10.261) 14.693 5.730 ( -17.462 -0.603 15.387) 23.282 6.658 ( -9.424 -21.547 4.870) 24.017 6.825 ( -6.190 -0.818 -5.054) 8.033 7.117 ( 2.962 -0.904 6.379) 7.091 7.232 ( 8.540 19.612 -3.021) 21.603 9.074 ( 10.292 -13.680 -14.353) 22.340 9.492 ( 1.384 5.324 2.615) 6.092 9.671 ( 7.885 1.169 0.653) 7.998 11.113 ( 1.650 3.059 1.306) 3.713 11.996 ( -3.352 -16.208 -5.019) 17.296 12.494 ( 4.553 11.989 5.268) 13.864 14.786 ( -18.943 -5.460 -0.529) 19.721 15.592 ( 7.086 -5.887 0.392) 9.220 16.028 ( 17.158 13.728 0.875) 21.991 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( -12.586 -1.103 5.893) 13.941 4.600 ( -20.307 -1.746 -6.049) 21.260 4.984 ( -6.455 2.754 0.922) 7.079 5.529 ( -10.843 -1.814 14.953) 18.559 5.636 ( 10.299 15.977 -0.062) 19.009 6.328 ( -7.126 -22.085 7.163) 24.287 6.715 ( 1.260 -7.770 -5.792) 9.773 7.168 ( -5.065 9.638 5.532) 12.213 7.488 ( 0.358 19.911 -2.572) 20.080 9.039 ( 6.258 -13.345 -13.092) 19.714 9.519 ( 0.215 -3.725 5.735) 6.842 9.752 ( 6.344 -4.055 -14.321) 16.179 11.272 ( 7.256 9.140 0.939) 11.708 11.808 ( 1.935 -14.305 -0.049) 14.435 12.695 ( 6.112 7.763 3.742) 10.565 14.436 ( -15.364 -7.669 -0.375) 17.176 15.657 ( 5.226 -2.916 0.154) 5.987 16.441 ( 16.572 12.557 2.280) 20.917 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( -18.012 -5.417 3.945) 19.218 4.181 ( -29.034 7.882 -2.215) 30.166 4.911 ( -5.195 0.146 -2.155) 5.626 5.416 ( -6.252 -2.238 12.373) 14.042 6.002 ( 9.512 8.036 4.162) 13.129 6.076 ( -2.368 -7.182 10.199) 12.697 6.676 ( 5.456 -8.304 -6.638) 11.950 7.177 ( -8.426 12.309 5.283) 15.825 7.610 ( -7.112 19.547 -2.392) 20.938 8.938 ( 1.175 -11.688 -9.008) 14.803 9.490 ( 0.170 -6.897 6.031) 9.164 9.737 ( 9.614 -11.396 -22.953) 27.370 11.423 ( 4.931 0.903 -3.210) 5.953 11.864 ( 12.005 -1.310 5.550) 13.291 12.868 ( 7.151 3.610 1.974) 8.250 14.136 ( -11.072 -8.636 0.055) 14.042 15.698 ( 1.578 -0.785 0.288) 1.786 16.821 ( 15.538 8.547 3.414) 18.059 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( -0.000 7.364 1.526) 7.521 3.655 ( 0.000 10.446 5.629) 11.866 4.802 ( -0.000 8.943 -3.220) 9.505 4.840 ( -0.000 -5.136 -8.085) 9.578 5.057 ( 0.000 -28.457 9.777) 30.089 6.270 ( 0.000 -5.770 0.315) 5.779 6.356 ( -0.000 5.009 1.328) 5.182 7.418 ( -0.000 8.765 1.338) 8.866 8.359 ( -0.000 19.560 -2.928) 19.778 9.189 ( -0.000 12.245 -1.635) 12.353 9.634 ( 0.000 7.087 4.883) 8.606 10.386 ( -0.000 -6.032 -10.626) 12.219 11.236 ( -0.000 -11.859 -4.334) 12.626 12.270 ( 0.000 -8.484 12.235) 14.889 12.447 ( -0.000 -10.607 -9.236) 14.064 13.864 ( 0.000 0.879 1.030) 1.354 15.922 ( 0.000 -9.662 -0.107) 9.662 16.793 ( 0.000 0.370 3.506) 3.526 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.703 ( 13.629 7.242 -1.457) 15.502 3.805 ( 7.045 6.450 8.464) 12.763 4.724 ( 1.204 -15.712 5.207) 16.596 4.861 ( 2.317 -8.201 2.343) 8.838 5.025 ( 13.331 1.683 -5.007) 14.339 6.226 ( 0.765 -3.458 2.776) 4.500 6.420 ( 3.806 0.362 -0.827) 3.912 7.524 ( 0.624 9.777 1.329) 9.887 8.471 ( -6.139 15.564 -2.742) 16.954 9.256 ( -5.123 10.767 -0.406) 11.930 9.640 ( -7.900 5.712 0.578) 9.766 10.111 ( -17.927 -7.084 -11.603) 22.499 11.299 ( 16.886 -6.651 -2.666) 18.343 12.199 ( -3.583 -6.934 10.652) 13.206 12.301 ( -3.115 -8.684 -6.251) 11.144 13.967 ( 10.387 2.147 0.511) 10.619 15.824 ( -1.215 -9.071 -0.763) 9.183 16.745 ( -7.168 -0.621 3.529) 8.013 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( 7.574 5.692 -0.942) 9.521 4.176 ( 25.350 1.350 8.428) 26.749 4.649 ( 2.699 -10.027 4.274) 11.229 4.875 ( 9.025 -6.288 3.650) 11.590 5.346 ( 21.804 4.312 -2.216) 22.336 6.247 ( 2.806 -2.148 3.212) 4.775 6.478 ( 3.897 -1.053 -1.406) 4.275 7.611 ( -0.649 6.921 0.834) 7.002 8.425 ( -13.080 9.631 -2.538) 16.440 9.189 ( -13.428 3.591 0.540) 13.911 9.497 ( -13.635 7.076 -9.116) 17.863 9.734 ( -13.362 -4.429 -4.610) 14.813 11.540 ( 14.545 -0.237 -0.861) 14.573 12.095 ( -2.827 -8.872 -6.452) 11.328 12.174 ( -2.001 -4.420 10.350) 11.431 14.232 ( 16.586 4.967 0.008) 17.313 15.697 ( -3.132 -9.321 -0.509) 9.846 16.571 ( -13.711 -1.273 2.500) 13.995 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( 9.725 2.435 -1.590) 10.151 4.563 ( 19.112 -7.202 11.972) 23.674 4.619 ( -2.089 -0.213 0.589) 2.181 5.159 ( 27.410 0.186 2.977) 27.572 5.784 ( 25.777 4.061 0.437) 26.098 6.259 ( 0.454 -2.840 -1.524) 3.255 6.503 ( -0.128 -0.881 -1.910) 2.107 7.624 ( -4.259 2.470 0.497) 4.948 8.206 ( -19.745 3.625 -2.958) 20.292 8.917 ( -15.150 -0.305 -1.777) 15.256 9.333 ( -11.653 5.073 0.516) 12.720 9.572 ( -4.231 1.672 -6.000) 7.530 11.692 ( -0.651 -0.339 4.598) 4.656 11.942 ( -0.927 -2.021 -10.021) 10.264 12.219 ( 7.101 -4.600 7.418) 11.252 14.588 ( 19.114 6.630 -0.301) 20.233 15.550 ( -3.690 -8.411 -0.002) 9.185 16.292 ( -18.793 -1.410 1.208) 18.885 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.277 ( 11.104 -0.104 -3.548) 11.658 4.571 ( -5.559 2.177 3.143) 6.747 4.811 ( 14.789 -4.974 11.329) 19.282 5.639 ( 24.456 -2.920 -5.340) 25.202 6.193 ( 12.015 -8.517 -5.381) 15.680 6.277 ( 14.913 9.727 2.906) 18.040 6.437 ( -6.133 1.939 0.618) 6.462 7.493 ( -10.973 -3.174 -1.476) 11.518 7.834 ( -24.627 -0.716 -4.428) 25.032 8.803 ( -1.410 2.918 6.044) 6.858 9.219 ( -4.753 0.991 3.284) 5.862 9.544 ( -1.533 5.130 -5.152) 7.431 11.522 ( -11.032 -6.873 -1.987) 13.149 12.007 ( 3.114 6.299 1.266) 7.140 12.317 ( 6.751 -3.052 0.032) 7.408 14.960 ( 19.890 0.736 -0.184) 19.904 15.448 ( -1.746 -0.458 0.218) 1.819 15.944 ( -21.735 -0.576 0.170) 21.743 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.416 ( 5.015 -1.175 -4.888) 7.101 4.517 ( -1.732 1.329 5.024) 5.478 5.046 ( 11.614 0.877 9.100) 14.781 5.670 ( -4.141 -6.514 -18.731) 20.259 6.214 ( -2.076 -8.619 -0.517) 8.880 6.535 ( 14.629 4.092 11.881) 19.285 6.681 ( 16.427 2.351 7.507) 18.214 7.240 ( -11.096 -3.058 -6.571) 13.254 7.389 ( -24.084 1.055 -7.431) 25.226 8.835 ( 0.936 -3.498 1.078) 3.778 9.292 ( 7.448 6.382 6.942) 12.017 9.568 ( -0.300 3.955 0.195) 3.971 11.274 ( -9.606 -3.895 -5.016) 11.515 12.059 ( -0.920 -4.453 1.608) 4.823 12.404 ( 3.915 5.574 -0.350) 6.820 15.140 ( 10.097 -19.343 0.722) 21.831 15.562 ( -1.169 7.798 -1.236) 7.982 15.624 ( -9.739 14.381 0.496) 17.376 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.347 ( -7.796 -1.112 3.396) 8.575 4.609 ( 7.993 -1.026 -3.170) 8.660 5.244 ( 4.164 2.610 7.359) 8.849 5.490 ( -3.704 2.657 -14.884) 15.566 6.043 ( -11.959 -3.191 6.884) 14.163 6.645 ( -9.879 -20.587 9.270) 24.644 6.689 ( 1.838 -19.738 6.893) 20.987 7.210 ( -1.888 14.995 -5.902) 16.224 7.272 ( 8.545 19.790 -7.406) 22.792 8.791 ( 3.227 -8.477 -6.909) 11.402 9.507 ( 4.152 4.073 6.026) 8.375 9.603 ( 2.575 0.426 2.441) 3.574 11.154 ( -1.796 4.498 -4.030) 6.300 11.900 ( -5.838 -13.859 -2.211) 15.200 12.551 ( 3.750 9.282 2.788) 10.392 14.946 ( -9.667 -17.937 -0.056) 20.376 15.469 ( 0.458 1.689 0.133) 1.755 15.963 ( 11.539 21.019 0.137) 23.979 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.189 ( -9.797 -4.799 4.556) 11.822 4.686 ( 2.000 0.707 -5.003) 5.434 5.193 ( -10.207 0.773 2.142) 10.458 5.601 ( 7.246 11.753 -2.428) 14.019 5.831 ( -14.171 0.933 11.975) 18.576 6.245 ( -9.327 -24.183 5.413) 26.478 6.548 ( 1.857 -14.036 -2.178) 14.325 7.354 ( -0.138 13.263 1.615) 13.361 7.599 ( 7.615 18.926 -3.594) 20.715 8.754 ( 6.269 -9.264 -11.070) 15.738 9.471 ( -2.998 -11.422 6.819) 13.636 9.673 ( 1.515 2.313 -7.163) 7.678 11.283 ( 5.788 13.605 -0.600) 14.797 11.657 ( -3.064 -15.815 -1.064) 16.144 12.701 ( 3.578 6.843 2.810) 8.218 14.579 ( -13.919 -15.069 -0.220) 20.515 15.551 ( 5.516 2.061 0.033) 5.889 16.348 ( 12.369 16.780 1.129) 20.877 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( -13.062 -7.674 3.324) 15.510 4.620 ( -13.301 7.295 -3.750) 15.626 5.020 ( -10.569 0.465 0.341) 10.585 5.615 ( -10.995 -0.612 11.904) 16.216 5.891 ( 7.532 -4.872 5.877) 10.724 6.025 ( 4.098 0.018 3.835) 5.613 6.490 ( 4.555 -7.670 -4.953) 10.204 7.436 ( -5.116 11.509 3.647) 13.113 7.827 ( 0.947 15.677 -2.579) 15.916 8.743 ( 5.694 -7.415 -9.501) 13.329 9.315 ( 1.151 -15.541 -3.010) 15.872 9.622 ( -3.743 -4.089 -5.786) 8.013 11.389 ( -1.847 -0.877 -3.855) 4.364 11.682 ( 13.082 4.179 4.835) 14.559 12.818 ( 3.937 3.398 1.667) 5.461 14.223 ( -11.844 -13.502 0.045) 17.961 15.657 ( 3.905 2.580 -0.265) 4.688 16.691 ( 12.179 10.860 2.256) 16.473 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.615 ( -0.000 3.550 0.916) 3.666 3.847 ( 0.000 5.077 6.985) 8.636 4.513 ( 0.000 -23.758 15.236) 28.224 4.836 ( -0.000 -0.651 -7.156) 7.185 4.921 ( -0.000 5.294 -2.170) 5.721 6.186 ( 0.000 -3.402 1.077) 3.568 6.387 ( -0.000 -0.143 -0.155) 0.211 7.612 ( -0.000 8.233 0.651) 8.259 8.647 ( -0.000 11.905 -3.383) 12.376 9.392 ( -0.000 9.383 -3.530) 10.025 9.759 ( 0.000 3.327 1.378) 3.602 10.214 ( -0.000 -3.671 -9.255) 9.956 11.040 ( 0.000 -6.027 -1.494) 6.209 12.191 ( -0.000 -5.959 -3.169) 6.749 12.261 ( 0.000 -4.998 7.049) 8.641 13.881 ( 0.000 0.358 0.419) 0.551 15.769 ( 0.000 -5.334 -0.851) 5.402 16.808 ( 0.000 -1.133 3.085) 3.286 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.776 ( 13.844 1.803 -1.971) 14.099 3.945 ( 6.368 1.178 10.346) 12.205 4.425 ( 6.907 -15.292 12.721) 21.057 4.823 ( -0.104 1.963 -2.183) 2.938 5.072 ( 13.445 3.045 -1.325) 13.849 6.185 ( 2.329 -2.156 0.921) 3.304 6.411 ( 2.857 -0.050 0.131) 2.860 7.671 ( -0.209 4.006 -0.423) 4.034 8.664 ( -7.262 6.283 -3.687) 10.286 9.398 ( -6.619 3.960 -5.317) 9.368 9.706 ( -8.072 2.732 -4.327) 9.557 9.975 ( -18.389 -0.556 -2.013) 18.508 11.208 ( 20.189 -1.413 -1.100) 20.268 12.077 ( -4.455 -4.670 -8.302) 10.515 12.232 ( -3.246 -2.310 12.032) 12.674 13.998 ( 12.920 0.737 0.054) 12.942 15.700 ( -3.359 -3.032 -0.305) 4.535 16.743 ( -7.355 -1.386 1.932) 7.730 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.956 ( 8.527 -0.158 -3.793) 9.334 4.221 ( 20.400 -3.853 13.524) 24.777 4.540 ( 12.558 -2.687 6.202) 14.261 4.865 ( 5.244 0.776 1.653) 5.553 5.401 ( 22.555 1.763 1.380) 22.666 6.201 ( 2.074 -2.376 -3.253) 4.531 6.471 ( 2.975 0.810 0.220) 3.091 7.674 ( -1.256 -0.554 -1.137) 1.783 8.503 ( -14.384 0.562 -3.969) 14.932 9.176 ( -15.944 -1.488 -7.438) 17.657 9.617 ( -5.718 7.948 -5.425) 11.194 9.684 ( -17.701 -0.154 7.163) 19.096 11.544 ( 17.759 0.417 -0.475) 17.770 11.927 ( -4.124 -1.482 -11.585) 12.386 12.201 ( -3.208 -0.712 12.354) 12.784 14.283 ( 19.587 -0.035 -0.191) 19.588 15.605 ( -5.863 0.291 0.219) 5.874 16.557 ( -13.852 -1.177 0.722) 13.920 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.079 ( 9.685 -2.385 -3.603) 10.605 4.544 ( 17.384 -2.671 12.356) 21.494 4.685 ( -0.571 4.500 4.404) 6.322 5.119 ( 26.267 -5.415 -0.885) 26.834 5.802 ( 22.547 -3.657 2.135) 22.941 6.206 ( 3.979 1.202 -6.282) 7.533 6.499 ( -0.400 1.825 -1.925) 2.683 7.586 ( -6.139 -5.624 -3.253) 8.939 8.182 ( -20.540 -3.345 -5.235) 21.459 8.958 ( -7.701 4.163 2.399) 9.077 9.418 ( -16.291 -0.658 8.616) 18.440 9.611 ( -2.638 6.637 -2.673) 7.626 11.588 ( -6.326 -6.266 -5.567) 10.501 12.019 ( 11.297 10.698 -5.861) 16.625 12.191 ( -0.679 -2.672 8.135) 8.589 14.592 ( 19.527 -6.037 0.054) 20.439 15.550 ( -4.102 8.045 0.017) 9.031 16.279 ( -18.544 -0.105 -0.035) 18.545 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.205 ( 10.740 -4.149 -5.118) 12.600 4.658 ( -5.806 1.479 8.808) 10.653 4.868 ( 15.533 2.861 6.998) 17.275 5.419 ( 16.690 -10.754 -9.917) 22.194 5.954 ( 9.639 -11.324 -6.716) 16.317 6.438 ( 16.285 2.930 4.416) 17.126 6.550 ( 3.736 7.735 3.800) 9.393 7.343 ( -10.400 -8.848 -7.867) 15.758 7.752 ( -23.150 -3.424 -8.253) 24.815 8.962 ( -8.358 6.179 13.198) 16.800 9.268 ( 0.552 1.240 5.164) 5.339 9.627 ( -2.138 4.238 2.298) 5.274 11.368 ( -9.247 -3.504 -9.454) 13.681 12.116 ( -6.579 -2.014 6.511) 9.473 12.320 ( 11.867 8.065 -4.139) 14.933 14.770 ( 13.669 -15.103 1.022) 20.396 15.648 ( 1.323 13.998 -1.838) 14.180 15.979 ( -18.013 5.959 0.414) 18.978 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.296 ( 7.274 -6.543 -7.316) 12.216 4.596 ( -4.064 -0.366 10.051) 10.848 5.142 ( 11.916 -1.180 3.272) 12.414 5.449 ( 3.753 0.352 -11.383) 11.991 5.966 ( 7.850 -12.218 -8.480) 16.817 6.618 ( 0.893 -3.086 12.920) 13.313 6.641 ( -5.288 -12.737 7.927) 15.907 7.219 ( 6.662 5.495 -9.006) 12.478 7.408 ( -9.831 7.340 -11.836) 17.048 8.825 ( -11.844 -0.493 8.667) 14.685 9.461 ( 9.383 5.806 6.280) 12.696 9.614 ( -3.176 -1.595 5.326) 6.403 11.214 ( -3.710 3.209 -8.538) 9.847 11.934 ( -10.512 -8.028 1.315) 13.292 12.553 ( 6.844 8.982 -0.473) 11.302 14.771 ( 5.368 -19.050 0.987) 19.817 15.611 ( -10.569 3.008 -1.366) 11.074 16.040 ( 4.463 22.882 -0.256) 23.315 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.228 ( -2.629 -10.555 -3.166) 11.329 4.634 ( 4.225 1.127 5.102) 6.720 5.212 ( 4.535 -8.020 -1.544) 9.341 5.598 ( 5.885 13.179 -2.136) 14.590 5.925 ( 2.657 -8.264 -6.715) 10.975 6.266 ( -16.555 -19.575 1.843) 25.703 6.498 ( -8.751 -6.324 7.387) 13.082 7.388 ( 7.935 7.325 -4.935) 11.873 7.593 ( 11.201 15.704 -2.268) 19.422 8.680 ( -6.178 -1.573 3.382) 7.216 9.474 ( -7.400 -10.517 7.609) 14.942 9.641 ( 3.633 2.284 -2.113) 4.784 11.290 ( 6.813 10.433 -1.966) 12.614 11.658 ( -11.739 -8.504 -1.298) 14.554 12.712 ( 3.541 6.605 0.471) 7.509 14.577 ( -5.861 -19.531 0.142) 20.392 15.552 ( -1.131 5.689 -0.025) 5.801 16.357 ( 7.775 19.678 -0.645) 21.168 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.031 ( -6.739 -11.672 -0.000) 13.477 4.733 ( 2.405 4.165 0.000) 4.809 5.189 ( -1.611 -2.790 0.000) 3.222 5.663 ( -6.094 -10.556 0.000) 12.189 5.845 ( -4.812 -8.335 0.000) 9.624 6.008 ( 4.779 8.277 -0.000) 9.557 6.386 ( -1.003 -1.737 -0.000) 2.006 7.546 ( 3.320 5.750 0.000) 6.640 7.878 ( 6.542 11.331 -0.000) 13.084 8.632 ( 0.503 0.871 -0.000) 1.005 9.229 ( -7.878 -13.645 0.000) 15.756 9.628 ( -2.890 -5.006 -0.000) 5.781 11.409 ( -5.000 -8.660 -0.000) 10.000 11.584 ( 9.392 16.268 0.000) 18.784 12.806 ( 2.060 3.569 -0.000) 4.121 14.259 ( -9.836 -17.036 -0.000) 19.672 15.633 ( 3.065 5.309 0.000) 6.130 16.645 ( 7.746 13.417 -0.000) 15.492 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.651 ( 0.000 -0.425 0.701) 0.820 3.927 ( 0.000 -2.309 8.335) 8.649 4.294 ( 0.000 -7.220 11.188) 13.315 4.857 ( 0.000 4.735 2.200) 5.221 4.973 ( -0.000 1.103 -0.830) 1.380 6.158 ( 0.000 -0.382 1.460) 1.509 6.388 ( 0.000 0.239 0.777) 0.813 7.686 ( -0.000 -0.636 -1.556) 1.680 8.747 ( -0.000 0.896 -4.467) 4.556 9.448 ( -0.000 0.327 -9.046) 9.052 9.771 ( -0.000 -1.327 -3.600) 3.836 10.178 ( -0.000 4.748 -3.160) 5.703 10.998 ( 0.000 1.235 2.715) 2.983 12.060 ( -0.000 -2.015 -8.740) 8.969 12.293 ( 0.000 0.293 12.223) 12.226 13.882 ( -0.000 -0.246 -0.210) 0.324 15.720 ( 0.000 0.449 0.232) 0.506 16.795 ( 0.000 -1.409 0.962) 1.706 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( 12.034 -1.954 -2.737) 12.495 3.969 ( 7.805 -6.629 11.593) 15.468 4.369 ( 7.806 2.825 7.118) 10.936 4.891 ( -1.933 3.389 3.917) 5.529 5.114 ( 14.216 1.433 3.311) 14.667 6.161 ( -0.313 0.024 -1.167) 1.208 6.428 ( 3.421 0.819 1.525) 3.834 7.652 ( 0.035 -4.941 -2.140) 5.384 8.651 ( -7.347 -4.599 -4.936) 9.975 9.326 ( -8.863 -3.936 -10.612) 14.376 9.690 ( -4.076 -1.506 -5.306) 6.858 10.073 ( -16.264 8.285 4.917) 18.903 11.229 ( 19.018 3.551 0.947) 19.370 11.972 ( -5.445 0.332 -9.816) 11.230 12.317 ( -3.425 2.750 11.921) 12.704 13.994 ( 13.068 -1.075 -0.392) 13.118 15.708 ( -3.461 3.565 0.461) 4.990 16.724 ( -7.268 -1.065 0.160) 7.347 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( 8.534 -4.115 -4.061) 10.308 4.195 ( 22.296 -8.828 10.935) 26.356 4.634 ( 13.117 9.471 3.587) 16.571 4.898 ( -0.329 0.626 3.494) 3.564 5.434 ( 19.977 -1.046 6.825) 21.136 6.143 ( 0.513 0.504 -6.483) 6.523 6.491 ( 2.339 0.642 -0.319) 2.447 7.574 ( -1.905 -8.366 -2.816) 9.030 8.394 ( -13.729 -8.379 -5.589) 17.028 9.096 ( -8.173 -1.192 -6.026) 10.224 9.588 ( -5.046 -4.110 -1.122) 6.604 9.901 ( -17.605 11.326 9.698) 23.071 11.540 ( 9.513 -0.049 -0.508) 9.527 11.889 ( 2.139 5.531 -13.068) 14.350 12.320 ( -5.234 5.091 11.058) 13.251 14.231 ( 17.136 -4.744 -0.097) 17.781 15.699 ( -3.696 8.441 -0.361) 9.221 16.545 ( -13.346 0.065 0.048) 13.346 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.971 ( 9.547 -6.435 -3.431) 12.014 4.516 ( 22.380 -12.139 5.517) 26.051 4.811 ( -2.855 2.941 7.653) 8.681 5.060 ( 16.160 7.280 -4.344) 18.248 5.684 ( 10.867 -8.641 1.775) 13.997 6.226 ( 11.508 3.559 -4.190) 12.754 6.550 ( 4.333 4.209 0.328) 6.049 7.364 ( -8.666 -13.629 -7.189) 17.679 8.012 ( -18.565 -9.575 -7.876) 22.324 9.093 ( 4.696 6.754 4.824) 9.536 9.405 ( -12.128 -5.348 7.135) 15.053 9.798 ( -11.155 9.729 8.685) 17.162 11.470 ( -9.028 -0.715 -7.716) 11.898 12.082 ( 10.858 1.382 -7.238) 13.123 12.334 ( -3.159 10.850 7.373) 13.493 14.421 ( 13.780 -10.605 0.875) 17.410 15.762 ( -0.566 11.880 -3.055) 12.280 16.314 ( -15.649 4.761 1.212) 16.402 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.053 ( 9.985 -8.146 -5.391) 13.968 4.600 ( 4.591 -18.936 6.012) 20.391 4.891 ( 9.342 -1.497 2.112) 9.694 5.366 ( 10.087 14.125 -5.789) 18.296 5.697 ( 5.716 -10.083 -7.037) 13.559 6.481 ( 13.675 -1.676 5.868) 14.975 6.695 ( -0.938 1.981 4.464) 4.973 7.094 ( 1.962 -8.187 -9.629) 12.790 7.595 ( -15.873 -5.844 -11.772) 20.607 9.138 ( -16.863 0.012 13.332) 21.497 9.360 ( 11.491 5.574 6.193) 14.194 9.733 ( -9.051 2.994 9.873) 13.724 11.303 ( -7.281 3.700 -8.965) 12.128 12.048 ( -7.990 -4.463 -0.591) 9.171 12.526 ( 6.843 12.522 -0.218) 14.271 14.490 ( 8.710 -14.427 1.353) 16.907 15.780 ( -6.900 2.893 -4.113) 8.538 16.247 ( -4.188 19.408 1.215) 19.892 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.072 ( 5.030 -12.088 -6.992) 14.843 4.530 ( 7.386 -15.429 7.982) 18.877 4.993 ( 7.379 -6.784 -0.895) 10.064 5.630 ( 4.265 8.573 -4.422) 10.547 5.691 ( 9.631 0.051 -11.703) 15.157 6.377 ( -14.843 -15.245 -1.659) 21.342 6.635 ( -5.455 -2.022 9.155) 10.847 7.229 ( 11.331 0.542 -6.726) 13.188 7.507 ( 11.276 8.143 -5.855) 15.091 8.907 ( -15.148 0.016 12.897) 19.895 9.573 ( -0.896 -0.543 -4.782) 4.896 9.593 ( -5.158 -1.449 17.190) 18.006 11.290 ( 1.559 7.906 -2.783) 8.526 11.820 ( -12.999 -2.223 -2.319) 13.390 12.719 ( 3.966 8.688 -1.034) 9.606 14.431 ( 1.360 -16.918 0.590) 16.983 15.663 ( -6.132 2.960 -1.099) 6.898 16.460 ( 3.058 21.310 -1.502) 21.580 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( 0.000 -4.645 -0.008) 4.645 3.868 ( 0.000 -9.688 8.703) 13.023 4.399 ( 0.000 12.464 4.271) 13.175 4.952 ( 0.000 -3.299 0.691) 3.371 5.029 ( 0.000 7.295 11.478) 13.601 6.192 ( 0.000 2.882 1.695) 3.344 6.397 ( 0.000 -0.569 0.833) 1.009 7.574 ( -0.000 -8.571 -2.685) 8.982 8.624 ( -0.000 -9.795 -5.598) 11.281 9.322 ( -0.000 -5.625 -9.720) 11.230 9.673 ( -0.000 -4.904 -6.658) 8.269 10.315 ( -0.000 9.490 -0.786) 9.522 11.112 ( 0.000 7.493 5.151) 9.093 12.011 ( -0.000 2.869 -8.294) 8.776 12.426 ( 0.000 5.408 11.255) 12.487 13.869 ( -0.000 -0.824 -0.702) 1.082 15.780 ( -0.000 5.115 0.139) 5.116 16.776 ( 0.000 -0.646 0.079) 0.651 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 11.372 -6.039 -3.510) 13.346 3.844 ( 8.213 -13.921 10.180) 19.102 4.620 ( 6.315 19.911 0.967) 20.911 4.923 ( 0.207 -3.349 2.604) 4.247 5.215 ( 9.832 3.026 12.968) 16.552 6.180 ( -4.362 2.830 -1.571) 5.432 6.430 ( 4.007 -2.182 0.317) 4.573 7.486 ( 0.455 -9.414 -2.119) 9.661 8.437 ( -6.479 -13.245 -5.985) 15.913 9.166 ( -6.601 -5.573 -8.008) 11.780 9.585 ( -1.519 -5.480 -4.759) 7.415 10.295 ( -12.137 10.613 4.353) 16.700 11.347 ( 13.757 7.502 2.027) 15.800 11.965 ( -6.059 5.709 -9.423) 12.574 12.493 ( -3.595 7.804 10.486) 13.557 13.957 ( 11.017 -2.302 -0.526) 11.267 15.817 ( -1.738 7.014 -1.479) 7.376 16.718 ( -6.875 0.557 0.998) 6.969 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.744 ( 8.223 -8.722 -2.538) 12.253 3.982 ( 22.078 -18.757 4.162) 29.267 4.882 ( -0.840 -1.207 5.409) 5.605 4.982 ( 9.878 20.831 -3.144) 23.268 5.450 ( 11.882 -4.068 11.800) 17.232 6.141 ( -0.052 2.551 -6.126) 6.637 6.482 ( 5.744 -0.974 0.634) 5.860 7.339 ( -6.313 -12.579 -5.051) 14.953 8.127 ( -12.265 -14.237 -7.357) 20.180 9.066 ( 2.318 0.350 -0.486) 2.394 9.483 ( -3.578 -6.310 0.748) 7.292 10.190 ( -15.697 11.414 10.159) 21.907 11.561 ( 0.445 3.531 -1.834) 4.004 11.945 ( 3.280 8.573 -11.068) 14.379 12.537 ( -5.010 10.325 8.799) 14.461 14.123 ( 12.480 -6.135 0.408) 13.912 15.858 ( -0.824 8.021 -4.994) 9.485 16.590 ( -11.123 4.607 3.128) 12.439 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.786 ( 9.570 -11.093 -2.075) 14.797 4.125 ( 19.017 -27.039 -2.069) 33.122 4.857 ( 0.393 -2.833 5.091) 5.840 5.357 ( 9.524 21.753 -4.211) 24.117 5.554 ( 3.499 -4.920 4.020) 7.253 6.232 ( 12.586 -2.175 -3.953) 13.370 6.670 ( 11.909 6.278 6.047) 14.758 7.007 ( -11.173 -16.013 -9.537) 21.730 7.727 ( -15.415 -13.240 -10.411) 22.832 9.222 ( 9.183 -0.303 5.518) 10.718 9.359 ( -5.201 -1.046 6.197) 8.157 10.066 ( -16.596 9.696 14.279) 23.944 11.471 ( -10.066 5.817 -6.457) 13.299 12.063 ( 2.397 2.376 -6.721) 7.521 12.614 ( -1.235 13.532 4.576) 14.338 14.230 ( 9.077 -9.816 1.241) 13.427 15.869 ( -3.105 2.511 -7.154) 8.193 16.524 ( -7.504 14.943 3.722) 17.130 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( 8.127 -13.286 -5.109) 16.391 4.108 ( 15.927 -30.035 1.049) 34.013 4.883 ( 3.525 -3.035 3.140) 5.612 5.492 ( 0.942 -5.817 -4.894) 7.660 5.721 ( 6.415 22.642 -5.139) 24.088 6.347 ( 2.754 -16.771 -4.368) 17.548 6.679 ( -1.533 0.727 1.122) 2.034 7.043 ( 12.702 2.576 5.028) 13.902 7.385 ( -2.187 -6.911 -13.029) 14.910 9.132 ( -9.367 -6.964 9.769) 15.221 9.495 ( 6.688 3.210 0.925) 7.476 9.907 ( -18.225 6.060 18.261) 26.502 11.389 ( -5.101 8.856 -3.284) 10.735 11.990 ( -8.787 1.050 -4.468) 9.914 12.762 ( 1.785 11.986 0.142) 12.119 14.242 ( 4.405 -12.307 0.846) 13.099 15.768 ( -5.676 -0.901 -3.576) 6.768 16.645 ( -1.114 20.753 -0.407) 20.787 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 0.000 -9.336 -1.861) 9.519 3.677 ( 0.000 -15.875 7.376) 17.505 4.795 ( -0.000 26.689 -1.543) 26.734 4.859 ( 0.000 -7.253 2.137) 7.561 5.227 ( 0.000 2.127 14.838) 14.989 6.288 ( 0.000 5.639 2.002) 5.984 6.330 ( 0.000 -7.776 -0.304) 7.782 7.394 ( 0.000 -6.971 -0.919) 7.031 8.327 ( -0.000 -16.061 -6.046) 17.161 9.136 ( -0.000 -7.589 -6.727) 10.141 9.512 ( -0.000 -6.783 -6.731) 9.556 10.494 ( -0.000 9.397 -1.325) 9.490 11.334 ( 0.000 11.680 4.959) 12.689 12.063 ( -0.000 7.989 -7.012) 10.630 12.647 ( 0.000 10.127 10.030) 14.253 13.844 ( -0.000 -1.204 -0.896) 1.500 15.880 ( -0.000 5.437 -3.924) 6.705 16.791 ( 0.000 1.804 3.234) 3.703 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( 12.228 -11.732 -5.013) 17.672 3.572 ( 5.297 -20.119 6.441) 21.779 4.820 ( 2.765 -8.467 2.550) 9.265 5.093 ( 4.854 25.826 -0.904) 26.294 5.313 ( 5.599 -1.858 10.211) 11.792 6.188 ( -4.869 -4.848 -1.055) 6.952 6.385 ( 3.868 1.035 2.833) 4.905 7.313 ( -3.709 -7.093 -2.744) 8.462 8.109 ( -5.749 -14.980 -6.138) 17.179 9.027 ( -0.537 -4.712 -2.891) 5.554 9.436 ( 0.706 -6.680 -3.375) 7.517 10.512 ( -7.612 9.276 2.642) 12.287 11.533 ( 6.741 10.410 1.671) 12.514 12.067 ( -6.436 10.824 -7.597) 14.707 12.748 ( -3.956 11.848 8.965) 15.376 13.905 ( 8.311 -2.615 -0.289) 8.718 15.902 ( -0.199 3.673 -7.788) 8.614 16.789 ( -5.427 5.070 6.295) 9.736 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( 8.712 -19.517 3.072) 21.593 3.558 ( 16.684 -21.485 -7.209) 28.141 4.785 ( 2.648 -9.413 2.353) 10.058 5.353 ( 10.875 -6.190 13.362) 18.306 5.518 ( 5.900 24.752 -6.285) 26.210 6.066 ( -0.969 -7.171 -5.865) 9.314 6.534 ( 10.204 4.445 7.224) 13.269 7.063 ( -12.749 -11.057 -7.453) 18.449 7.795 ( -12.806 -13.299 -8.732) 20.423 9.081 ( 8.390 -1.417 4.195) 9.487 9.387 ( 0.259 -3.167 1.619) 3.566 10.454 ( -12.332 9.140 8.985) 17.786 11.656 ( -4.148 7.730 -2.463) 9.112 12.072 ( -1.675 11.452 -7.874) 13.999 12.817 ( -4.790 13.206 6.880) 15.642 14.014 ( 8.374 -5.548 0.790) 10.076 15.884 ( -0.851 -0.214 -10.169) 10.206 16.787 ( -6.162 11.931 7.107) 15.193 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( 15.850 -24.153 2.286) 28.980 3.539 ( 10.608 -24.526 -7.743) 27.821 4.770 ( 5.345 -8.278 1.679) 9.995 5.462 ( 3.181 -5.588 11.663) 13.318 5.818 ( 5.214 17.643 -5.817) 19.295 6.015 ( 8.624 -9.581 -12.773) 18.147 6.728 ( -5.077 -6.586 -5.620) 10.037 6.870 ( 14.055 8.012 11.195) 19.674 7.403 ( -14.880 -11.617 -11.174) 21.937 9.146 ( 0.949 -8.292 6.150) 10.368 9.445 ( 4.110 3.700 2.068) 5.904 10.339 ( -16.309 8.323 14.862) 23.583 11.594 ( -9.196 9.519 -2.837) 13.536 12.108 ( -4.068 7.404 -6.040) 10.385 12.901 ( -2.811 13.614 3.230) 14.271 14.066 ( 5.224 -7.954 0.875) 9.556 15.799 ( -2.846 -4.118 -6.944) 8.560 16.874 ( -3.119 18.091 2.570) 18.537 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( -0.000 -15.054 -5.173) 15.918 3.351 ( 0.000 -22.267 3.562) 22.550 4.710 ( 0.000 -9.985 3.442) 10.562 5.118 ( 0.000 -16.431 7.386) 18.015 5.412 ( -0.000 30.959 -6.423) 31.619 6.140 ( 0.000 -11.954 8.371) 14.594 6.426 ( 0.000 7.088 2.123) 7.399 7.286 ( -0.000 -6.183 -3.544) 7.127 8.023 ( -0.000 -8.316 -4.002) 9.229 8.967 ( -0.000 -6.000 -2.752) 6.601 9.341 ( -0.000 -6.821 -4.484) 8.163 10.646 ( -0.000 7.163 -1.109) 7.248 11.606 ( -0.000 13.532 2.919) 13.843 12.222 ( -0.000 12.724 -5.178) 13.737 12.937 ( 0.000 13.499 8.578) 15.994 13.815 ( -0.000 -1.191 -0.578) 1.324 15.886 ( -0.000 -0.368 -11.102) 11.108 16.913 ( 0.000 6.520 9.851) 11.813 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 6.566 -25.379 -4.760) 26.643 3.204 ( 8.289 -19.594 -1.839) 21.355 4.636 ( 1.810 -13.222 2.333) 13.547 5.001 ( 12.652 -27.002 5.607) 30.341 5.729 ( 2.065 33.842 -7.531) 34.732 6.035 ( -3.245 -12.174 9.159) 15.577 6.510 ( 2.090 6.806 4.026) 8.179 7.121 ( -7.958 -10.030 -6.607) 14.408 7.881 ( -10.988 -2.723 -6.505) 13.056 8.957 ( 5.136 -2.655 2.617) 6.346 9.312 ( 4.433 -3.877 -1.098) 5.991 10.676 ( -3.831 6.091 1.970) 7.460 11.755 ( 0.795 11.765 0.102) 11.793 12.274 ( -6.806 15.004 -4.940) 17.200 13.054 ( -4.657 14.121 7.434) 16.624 13.858 ( 5.847 -2.172 0.266) 6.243 15.828 ( 0.400 -4.035 -13.036) 13.652 16.997 ( -2.909 9.924 11.075) 15.153 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 12.435 -32.924 -4.753) 35.514 3.181 ( 10.524 -20.241 -3.232) 23.041 4.549 ( 7.229 -17.128 -0.433) 18.596 5.097 ( 22.974 -22.915 6.967) 33.188 5.841 ( -6.920 -12.655 6.650) 15.882 6.050 ( 1.976 28.773 -11.136) 30.916 6.638 ( 4.099 -0.912 0.278) 4.209 6.894 ( -4.810 -0.057 1.366) 5.001 7.569 ( -18.080 -3.169 -8.251) 20.125 9.035 ( 5.160 -5.385 3.746) 8.346 9.411 ( 5.951 3.305 2.297) 7.184 10.649 ( -8.010 5.612 7.171) 12.128 11.811 ( -6.031 9.501 -1.875) 11.409 12.284 ( -7.194 15.068 -4.539) 17.303 13.122 ( -5.632 14.027 5.490) 16.082 13.926 ( 5.017 -4.161 0.802) 6.567 15.737 ( 0.095 -7.318 -10.392) 12.710 17.096 ( -2.678 14.430 6.902) 16.218 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -0.000 -22.067 -9.382) 23.979 2.867 ( 0.000 -28.801 -2.453) 28.905 4.531 ( 0.000 -42.592 0.271) 42.593 4.534 ( 0.000 -10.873 4.402) 11.731 5.953 ( 0.000 -17.754 10.838) 20.800 6.017 ( -0.000 31.825 -4.286) 32.112 6.574 ( -0.000 6.834 1.639) 7.028 7.071 ( -0.000 -9.139 -4.714) 10.283 8.019 ( -0.000 9.847 -9.353) 13.581 8.903 ( 0.000 -0.623 5.002) 5.040 9.205 ( 0.000 -5.165 -1.020) 5.265 10.747 ( -0.000 3.617 0.279) 3.627 11.873 ( -0.000 13.022 -0.026) 13.022 12.477 ( -0.000 16.634 -2.939) 16.892 13.263 ( 0.000 14.873 6.823) 16.363 13.795 ( 0.000 -0.670 0.326) 0.744 15.718 ( -0.000 -7.771 -14.846) 16.756 17.151 ( 0.000 9.324 13.784) 16.641 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 0.919 -33.035 -8.732) 34.182 2.756 ( 13.120 -25.055 -5.659) 28.843 4.153 ( 8.003 -41.069 -1.209) 41.859 4.578 ( 14.944 -14.951 5.248) 21.780 5.749 ( -1.656 -25.924 7.906) 27.153 6.297 ( -0.380 28.799 -5.798) 29.379 6.640 ( -0.426 4.858 0.640) 4.918 6.965 ( -3.508 -1.380 1.506) 4.059 7.893 ( -20.154 9.341 -12.876) 25.676 8.940 ( 2.013 -2.119 4.753) 5.580 9.302 ( 11.766 2.351 2.710) 12.301 10.769 ( -1.128 2.131 2.279) 3.318 11.971 ( -2.632 10.998 -1.587) 11.420 12.569 ( -7.409 18.159 -2.176) 19.732 13.374 ( -5.481 14.301 5.873) 16.403 13.830 ( 3.703 -1.148 0.912) 3.983 15.594 ( 1.632 -10.669 -13.233) 17.076 17.279 ( -1.078 10.804 11.687) 15.953 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.000 -34.155 -9.194) 35.371 2.244 ( -0.000 -29.468 -12.898) 32.167 3.594 ( 0.000 -54.931 2.686) 54.996 4.362 ( 0.000 -9.927 4.423) 10.868 5.491 ( 0.000 -33.617 4.501) 33.917 6.546 ( -0.000 24.407 -3.680) 24.683 6.700 ( -0.000 5.322 0.706) 5.368 6.998 ( 0.000 1.106 4.848) 4.972 8.172 ( -0.000 18.359 -28.510) 33.910 9.018 ( 0.000 4.401 16.525) 17.101 9.132 ( 0.000 -2.996 1.920) 3.559 10.784 ( 0.000 -0.525 1.674) 1.754 12.094 ( -0.000 10.764 -2.521) 11.055 12.813 ( -0.000 19.530 -0.471) 19.535 13.583 ( 0.000 14.142 4.905) 14.969 13.795 ( 0.000 0.118 1.369) 1.374 15.412 ( -0.000 -13.646 -13.898) 19.477 17.421 ( 0.000 8.564 14.026) 16.433 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.000 -0.000 37.721) 37.721 0.772 ( 0.000 -0.000 37.721) 37.721 1.242 ( 0.000 -0.000 61.543) 61.543 4.019 ( -0.000 0.000 -4.827) 4.827 4.019 ( -0.000 0.000 -4.827) 4.827 6.852 ( -0.000 0.000 -0.036) 0.036 6.852 ( -0.000 0.000 -0.036) 0.036 6.922 ( -0.000 0.000 -11.169) 11.169 9.060 ( -0.000 0.000 -1.983) 1.983 9.060 ( -0.000 0.000 -1.983) 1.983 10.503 ( -0.000 0.000 -8.780) 8.780 11.855 ( 0.000 -0.000 10.763) 10.763 12.419 ( 0.000 -0.000 1.849) 1.849 12.419 ( 0.000 -0.000 1.849) 1.849 13.822 ( -0.000 0.000 -0.818) 0.818 13.822 ( -0.000 0.000 -0.818) 0.818 14.097 ( -0.000 0.000 -0.743) 0.743 17.258 ( -0.000 0.000 -0.961) 0.961 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 16.441 9.492 25.066) 31.444 1.112 ( 10.518 6.073 36.794) 38.746 2.041 ( 45.089 26.032 41.028) 66.288 4.079 ( 5.203 3.004 -4.051) 7.246 4.173 ( 16.471 9.510 -7.275) 20.363 6.831 ( -1.707 -0.986 -0.236) 1.986 6.846 ( -1.851 -1.069 -12.885) 13.061 6.914 ( 2.384 1.377 -7.948) 8.411 8.610 ( -35.577 -20.541 3.876) 41.264 9.099 ( 2.588 1.494 -0.832) 3.102 10.438 ( -31.987 -18.468 28.849) 46.867 10.575 ( -0.865 -0.499 6.137) 6.218 12.342 ( -5.649 -3.261 0.503) 6.542 13.331 ( 3.368 1.945 -20.585) 20.950 13.753 ( -3.665 -2.116 -6.247) 7.545 13.840 ( 0.764 0.441 -0.017) 0.882 14.618 ( 32.029 18.492 -0.043) 36.984 17.419 ( 10.819 6.246 -13.777) 18.598 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 24.737 14.282 12.712) 31.265 1.567 ( 21.043 12.149 23.256) 33.634 3.212 ( 48.205 27.831 29.411) 62.954 4.211 ( 7.655 4.419 -3.481) 9.500 4.633 ( 25.885 14.945 -10.253) 31.599 6.722 ( -5.589 -3.227 -10.235) 12.100 6.778 ( -2.954 -1.705 -0.482) 3.444 6.925 ( 2.188 1.263 -12.700) 12.949 7.847 ( -31.328 -18.087 3.888) 36.383 9.165 ( 3.299 1.904 0.732) 3.879 10.007 ( -17.913 -10.342 21.015) 29.487 10.637 ( 1.218 0.703 -6.628) 6.775 12.181 ( -8.614 -4.973 -1.036) 10.000 13.125 ( -12.838 -7.412 -5.450) 15.794 13.606 ( -6.686 -3.860 -10.389) 12.943 13.854 ( 0.388 0.224 0.743) 0.868 15.142 ( 15.635 9.027 10.197) 20.734 17.549 ( 4.885 2.820 -12.484) 13.699 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 24.925 14.391 7.109) 29.646 2.161 ( 26.646 15.384 12.645) 33.265 4.306 ( 42.107 24.310 19.728) 52.471 4.380 ( 8.377 4.837 -3.347) 10.236 5.148 ( 21.749 12.557 -11.723) 27.716 6.580 ( -3.301 -1.906 0.257) 3.820 6.700 ( -3.822 -2.207 -0.673) 4.465 6.952 ( 5.052 2.917 -15.556) 16.614 7.300 ( -19.063 -11.006 1.428) 22.058 9.244 ( 3.280 1.894 2.531) 4.555 9.693 ( -16.409 -9.474 14.588) 23.913 10.531 ( -8.359 -4.826 -12.581) 15.858 11.966 ( -10.006 -5.777 -2.533) 11.828 12.808 ( -14.319 -8.267 0.279) 16.536 13.415 ( -7.303 -4.217 -8.893) 12.256 13.862 ( 0.000 0.000 1.253) 1.253 15.438 ( 8.557 4.940 11.428) 15.107 17.559 ( -0.844 -0.487 -7.292) 7.357 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 22.287 12.868 4.546) 26.134 2.804 ( 28.452 16.427 5.986) 33.395 4.547 ( 7.518 4.341 -3.547) 9.378 5.082 ( 21.201 12.241 -5.453) 25.081 5.516 ( 16.234 9.373 11.863) 22.184 6.608 ( -4.256 -2.457 -0.765) 4.974 6.661 ( 8.357 4.825 3.340) 10.211 6.938 ( -6.982 -4.031 -13.098) 15.380 7.130 ( 9.486 5.477 0.720) 10.977 9.321 ( 2.568 1.483 4.235) 5.170 9.377 ( -15.982 -9.227 11.741) 21.873 10.187 ( -17.597 -10.160 -18.013) 27.155 11.735 ( -9.723 -5.613 -3.749) 11.836 12.518 ( -11.998 -6.927 2.340) 14.050 13.235 ( -6.656 -3.843 -5.916) 9.699 13.863 ( -0.209 -0.121 1.431) 1.451 15.611 ( 4.391 2.535 8.578) 9.964 17.472 ( -5.226 -3.017 -3.168) 6.815 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 18.173 10.492 3.159) 21.221 3.445 ( 28.222 16.294 1.500) 32.623 4.682 ( 5.649 3.262 -3.599) 7.450 5.297 ( 6.879 3.972 -7.260) 10.761 5.910 ( 9.652 5.573 14.269) 18.106 6.511 ( -4.142 -2.391 -0.855) 4.859 6.632 ( -7.749 -4.474 -7.083) 11.413 7.047 ( 16.147 9.322 1.876) 18.739 7.462 ( 17.357 10.021 0.415) 20.046 9.079 ( -13.530 -7.812 8.866) 17.964 9.382 ( 1.451 0.838 5.447) 5.699 9.683 ( -21.177 -12.226 -17.164) 29.876 11.523 ( -8.040 -4.642 -4.449) 10.295 12.296 ( -8.969 -5.178 2.316) 10.612 13.083 ( -5.689 -3.285 -3.820) 7.599 13.863 ( -0.204 -0.118 1.320) 1.341 15.698 ( 1.694 0.978 4.865) 5.244 17.320 ( -7.680 -4.434 -0.656) 8.893 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.457 ( 12.831 7.408 1.831) 14.928 4.055 ( 26.971 15.572 -1.905) 31.202 4.773 ( 3.723 2.149 -2.781) 5.120 5.416 ( 4.284 2.474 -6.521) 8.185 5.974 ( -4.433 -2.559 2.678) 5.777 6.423 ( -3.418 -1.973 -1.184) 4.121 6.481 ( -4.142 -2.391 -2.316) 5.314 7.413 ( 12.896 7.446 5.152) 15.757 7.796 ( 12.153 7.017 -2.616) 14.275 8.875 ( -6.155 -3.554 4.443) 8.382 9.224 ( -15.186 -8.767 -2.365) 17.694 9.421 ( 0.300 0.173 5.954) 5.964 11.358 ( -5.406 -3.121 -4.539) 7.718 12.134 ( -6.266 -3.618 1.221) 7.338 12.958 ( -4.488 -2.591 -3.360) 6.177 13.864 ( -0.129 -0.075 1.041) 1.052 15.730 ( 0.405 0.234 1.699) 1.762 17.144 ( -7.867 -4.542 0.334) 9.090 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.673 ( 6.237 3.601 0.070) 7.203 4.618 ( 24.920 14.388 -5.041) 29.214 4.835 ( 2.599 1.501 -0.754) 3.095 5.328 ( -9.169 -5.294 -18.209) 21.063 5.832 ( -9.105 -5.257 -3.112) 10.965 6.356 ( -2.175 -1.256 -1.903) 3.151 6.414 ( -1.076 -0.621 -0.780) 1.467 7.577 ( 2.660 1.536 -1.383) 3.368 8.024 ( 8.971 5.179 5.614) 11.782 8.777 ( -4.826 -2.786 -1.579) 5.792 9.105 ( 1.810 1.045 21.126) 21.229 9.436 ( -0.679 -0.392 5.844) 5.896 11.259 ( -2.180 -1.259 -4.139) 4.845 12.026 ( -3.671 -2.119 -0.202) 4.244 12.864 ( -2.851 -1.646 -4.269) 5.391 13.863 ( -0.180 -0.104 0.718) 0.747 15.738 ( 0.322 0.186 -0.211) 0.427 16.989 ( -5.869 -3.389 -0.048) 6.777 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( -0.799 -0.461 -1.391) 1.669 4.886 ( 1.753 1.012 1.475) 2.505 4.958 ( -15.993 -9.234 -20.277) 27.426 5.113 ( 20.361 11.756 -6.438) 24.377 5.502 ( -15.607 -9.011 -20.526) 27.314 6.318 ( -0.456 -0.263 -2.791) 2.840 6.434 ( 1.887 1.090 1.120) 2.450 7.593 ( -0.817 -0.472 -1.114) 1.460 8.209 ( 4.093 2.363 11.532) 12.463 8.702 ( -1.558 -0.899 5.669) 5.948 9.319 ( 8.792 5.076 26.412) 28.295 9.430 ( -1.548 -0.893 5.297) 5.590 11.237 ( 1.385 0.799 -3.430) 3.784 11.971 ( -1.019 -0.588 -1.625) 2.006 12.809 ( -0.469 -0.271 -5.698) 5.724 13.859 ( -0.406 -0.234 0.411) 0.623 15.747 ( 0.655 0.378 -0.519) 0.918 16.896 ( -2.161 -1.248 -1.649) 2.991 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( -6.888 -3.977 -1.284) 8.057 4.501 ( -19.517 -11.268 -14.652) 26.880 4.911 ( -0.373 -0.216 2.254) 2.295 5.124 ( -9.295 -5.367 -23.697) 26.015 5.472 ( 13.244 7.647 -9.987) 18.265 6.321 ( 1.773 1.024 -3.317) 3.898 6.472 ( 1.421 0.820 -1.882) 2.497 7.519 ( -5.474 -3.160 -0.662) 6.355 8.219 ( -6.634 -3.830 9.553) 12.245 8.756 ( 2.663 1.537 12.085) 12.470 9.402 ( -2.442 -1.410 4.353) 5.186 9.658 ( 13.814 7.976 27.623) 31.898 11.297 ( 4.955 2.861 -2.469) 6.232 11.971 ( 1.777 1.026 -2.797) 3.469 12.813 ( 2.876 1.660 -6.540) 7.335 13.848 ( -0.666 -0.384 0.116) 0.777 15.760 ( 0.255 0.147 0.765) 0.820 16.888 ( 2.381 1.374 -4.166) 4.991 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( -11.881 -6.860 0.585) 13.732 3.996 ( -22.706 -13.110 -9.027) 27.730 4.872 ( -3.772 -2.178 1.250) 4.532 5.021 ( 6.647 3.838 -14.296) 16.226 5.574 ( -2.310 -1.334 -9.892) 10.246 6.375 ( 4.053 2.340 -3.113) 5.620 6.485 ( 1.374 0.793 -9.300) 9.435 7.365 ( -8.354 -4.823 2.000) 9.852 8.031 ( -11.737 -6.776 10.485) 17.135 8.845 ( 1.821 1.051 9.704) 9.929 9.351 ( -3.254 -1.879 2.970) 4.789 10.088 ( 16.338 9.433 23.510) 30.144 11.436 ( 8.000 4.619 -1.245) 9.321 12.036 ( 5.168 2.984 -3.031) 6.693 12.899 ( 6.841 3.950 -6.099) 9.980 13.832 ( -0.766 -0.442 -0.203) 0.907 15.755 ( -1.542 -0.890 3.216) 3.676 16.969 ( 6.460 3.730 -7.003) 10.232 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -16.465 -9.506 3.776) 19.384 3.440 ( -25.722 -14.851 -3.390) 29.894 4.753 ( -6.978 -4.029 -0.727) 8.091 5.219 ( -10.867 -6.274 -5.349) 13.641 5.373 ( 10.287 5.939 -2.829) 12.211 6.434 ( -3.631 -2.096 -18.660) 19.125 6.473 ( 5.439 3.140 -2.365) 6.711 7.169 ( -10.393 -6.000 8.381) 14.638 7.855 ( -5.834 -3.368 12.154) 13.895 8.908 ( 2.401 1.386 2.047) 3.446 9.281 ( -3.647 -2.105 1.238) 4.389 10.484 ( 12.772 7.374 14.731) 20.845 11.635 ( 9.953 5.746 0.156) 11.494 12.191 ( 9.743 5.625 -1.455) 11.344 13.073 ( 10.452 6.034 -4.765) 12.975 13.815 ( -0.623 -0.360 -0.575) 0.921 15.705 ( -4.527 -2.614 6.347) 8.223 17.114 ( 8.826 5.095 -9.575) 13.983 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -21.084 -12.173 7.918) 25.601 2.843 ( -28.123 -16.237 2.670) 32.584 4.559 ( -37.553 -21.681 -6.005) 43.776 4.570 ( -8.760 -5.057 -2.796) 10.494 5.886 ( 17.522 10.116 11.272) 23.161 6.155 ( -9.519 -5.496 -18.608) 21.612 6.590 ( 5.519 3.186 -1.475) 6.541 7.024 ( -4.017 -2.319 4.604) 6.535 7.884 ( 4.146 2.394 17.135) 17.791 8.969 ( 3.908 2.257 -7.942) 9.135 9.203 ( -3.401 -1.964 -0.530) 3.963 10.724 ( 5.817 3.358 5.065) 8.412 11.866 ( 10.441 6.028 1.505) 12.150 12.459 ( 14.431 8.332 0.726) 16.680 13.317 ( 12.586 7.267 -3.874) 15.041 13.802 ( -0.295 -0.170 -0.991) 1.048 15.593 ( -8.129 -4.693 10.031) 13.738 17.280 ( 9.026 5.211 -11.788) 15.735 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 0.000 28.945 23.758) 37.447 1.429 ( 0.000 27.173 29.942) 40.433 1.966 ( 0.000 29.110 47.797) 55.964 3.988 ( -0.000 2.826 -7.549) 8.061 4.225 ( -0.000 22.309 -4.966) 22.855 6.805 ( -0.000 -0.848 -14.016) 14.042 6.837 ( 0.000 -1.849 -0.085) 1.851 6.892 ( -0.000 1.408 -6.228) 6.385 8.926 ( -0.000 -8.243 -5.031) 9.657 9.026 ( -0.000 0.025 -2.720) 2.720 10.377 ( 0.000 -66.743 40.966) 78.313 10.516 ( -0.000 2.718 -3.837) 4.702 12.426 ( 0.000 -3.087 2.743) 4.130 13.236 ( -0.000 6.221 -18.669) 19.678 13.793 ( -0.000 -1.019 -1.335) 1.679 13.802 ( -0.000 -3.037 -4.268) 5.238 14.669 ( -0.000 45.875 -1.050) 45.887 17.299 ( -0.000 1.538 -10.531) 10.643 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 7.468 31.469 17.599) 36.822 1.651 ( -5.584 27.165 28.110) 39.488 2.835 ( 39.690 30.591 31.183) 59.021 4.100 ( 10.121 5.100 -7.907) 13.819 4.513 ( 8.261 27.104 -5.463) 28.857 6.733 ( -2.674 0.087 -13.692) 13.951 6.795 ( -2.006 -2.934 -0.787) 3.641 6.875 ( 0.449 -0.834 -7.452) 7.512 8.363 ( -40.705 -8.925 0.896) 41.681 9.091 ( 4.587 -1.921 -0.268) 4.980 10.007 ( 1.917 -36.884 24.048) 44.073 10.587 ( 3.678 3.233 -6.109) 7.829 12.304 ( -9.066 -3.653 1.299) 9.861 13.155 ( -3.931 -9.037 -8.528) 13.032 13.645 ( -7.436 -5.571 -6.783) 11.504 13.820 ( 2.528 -1.729 -1.016) 3.227 15.154 ( 7.647 28.422 8.373) 30.600 17.355 ( 10.222 -3.342 -13.897) 17.572 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 10.264 23.163 21.381) 33.151 2.132 ( 11.114 32.213 9.915) 35.490 3.863 ( 40.265 21.856 17.666) 49.103 4.326 ( 11.491 10.865 -6.975) 17.284 4.951 ( 15.696 23.428 -4.743) 28.596 6.639 ( -4.694 1.974 -7.078) 8.719 6.714 ( -2.687 -4.739 -0.970) 5.534 6.859 ( 2.568 -0.651 -9.778) 10.131 7.670 ( -32.995 -4.791 3.190) 33.493 9.149 ( 5.738 -4.827 2.325) 7.850 9.787 ( -3.633 -20.230 11.537) 23.570 10.574 ( -4.620 -1.185 -10.315) 11.364 12.097 ( -11.226 -4.139 -0.124) 11.966 12.910 ( -10.163 -12.168 -0.696) 15.869 13.436 ( -6.326 -7.535 -8.785) 13.190 13.845 ( 2.128 -0.705 -0.045) 2.242 15.485 ( 2.743 16.232 13.584) 21.343 17.424 ( 8.309 -7.002 -11.714) 15.977 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 16.592 23.541 12.296) 31.316 2.657 ( 15.023 26.491 7.143) 31.281 4.433 ( 11.961 5.714 -2.004) 13.406 4.800 ( 26.158 16.884 -8.629) 32.307 5.413 ( 15.724 18.513 10.102) 26.307 6.588 ( -2.268 -3.557 -2.160) 4.739 6.648 ( 0.620 1.939 1.897) 2.782 6.904 ( 6.440 1.692 -11.333) 13.144 7.233 ( -18.016 1.164 4.608) 18.633 9.183 ( 4.532 -10.596 5.047) 12.581 9.587 ( -6.938 -7.381 5.968) 11.757 10.325 ( -15.302 -6.555 -16.069) 23.138 11.860 ( -12.073 -4.154 -1.205) 12.825 12.621 ( -10.549 -11.579 2.827) 15.917 13.247 ( -4.345 -7.756 -7.375) 11.551 13.875 ( 0.983 1.271 0.443) 1.666 15.665 ( -0.471 9.388 12.140) 15.354 17.408 ( 3.338 -9.797 -7.298) 12.664 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 12.147 24.273 6.277) 27.859 3.202 ( 21.972 19.935 4.723) 30.041 4.617 ( 6.350 5.663 -4.245) 9.508 5.168 ( 11.961 7.883 -14.211) 20.178 5.880 ( 11.490 13.671 17.253) 24.831 6.482 ( -1.185 -8.585 -1.508) 8.797 6.699 ( -2.828 -1.122 -0.703) 3.123 6.952 ( 3.999 8.787 -5.714) 11.219 7.278 ( 13.273 7.520 6.974) 16.774 9.088 ( -2.638 -15.688 5.839) 16.945 9.495 ( -4.030 3.214 1.836) 5.471 9.877 ( -20.781 -9.246 -16.001) 27.810 11.621 ( -10.896 -4.151 -2.305) 11.886 12.372 ( -8.569 -9.672 3.615) 13.418 13.093 ( -3.217 -7.069 -5.327) 9.417 13.905 ( -0.573 4.047 0.628) 4.135 15.741 ( -2.066 4.397 8.218) 9.547 17.306 ( -0.747 -11.651 -3.640) 12.230 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( 7.378 20.603 3.836) 22.218 3.777 ( 24.316 17.040 0.325) 29.694 4.738 ( 4.052 5.020 -3.832) 7.504 5.360 ( 6.536 8.409 -8.589) 13.682 6.050 ( -3.610 3.331 2.314) 5.430 6.396 ( 0.430 -8.219 1.252) 8.325 6.555 ( -8.222 -1.664 -2.092) 8.645 7.253 ( 16.304 7.898 6.600) 19.281 7.624 ( 15.258 5.995 1.804) 16.493 8.893 ( -4.818 -11.299 2.500) 12.536 9.345 ( -13.364 -8.096 -12.395) 19.945 9.574 ( -6.352 5.833 8.369) 12.017 11.419 ( -7.769 -3.114 -3.292) 8.994 12.171 ( -6.367 -8.962 3.059) 11.411 12.967 ( -2.665 -5.815 -4.501) 7.821 13.937 ( -2.388 7.191 0.644) 7.605 15.748 ( -2.054 0.524 4.130) 4.642 17.151 ( -2.744 -12.229 -1.434) 12.615 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( 2.250 15.609 1.531) 15.845 4.314 ( 23.434 12.347 -4.219) 26.822 4.836 ( 3.059 6.472 -1.925) 7.412 5.418 ( -6.259 7.319 -15.785) 18.491 5.943 ( -9.122 -1.643 -2.202) 9.527 6.322 ( -0.791 -8.162 0.650) 8.226 6.424 ( -3.310 -2.752 -1.902) 4.706 7.522 ( 6.528 2.164 1.955) 7.150 7.895 ( 12.892 3.267 4.031) 13.897 8.789 ( 0.040 -5.077 3.495) 6.164 9.100 ( -3.541 -5.764 3.903) 7.810 9.602 ( -4.528 9.235 10.151) 14.451 11.290 ( -4.299 -0.351 -3.733) 5.704 12.010 ( -3.253 -9.800 1.933) 10.505 12.863 ( -2.079 -4.325 -5.127) 7.023 13.966 ( -4.415 9.954 0.602) 10.906 15.724 ( -0.515 -2.071 1.011) 2.361 16.987 ( -2.457 -11.454 -0.653) 11.733 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.809 ( -3.568 10.059 -0.835) 10.705 4.690 ( 13.817 -0.574 -7.478) 15.721 4.996 ( 7.231 10.989 -3.137) 13.524 5.216 ( -16.650 10.533 -15.747) 25.222 5.645 ( -18.008 -6.273 -18.591) 26.632 6.234 ( 1.407 -9.254 -1.497) 9.479 6.410 ( 2.536 -0.851 2.299) 3.527 7.590 ( 1.406 0.840 -0.294) 1.664 8.136 ( 10.116 -0.693 11.480) 15.316 8.765 ( -2.178 0.713 6.853) 7.225 9.143 ( 9.560 -5.847 12.541) 16.818 9.660 ( -4.758 11.447 12.612) 17.684 11.246 ( -1.481 3.625 -3.331) 5.141 11.894 ( 1.027 -10.954 0.482) 11.012 12.784 ( -0.732 -2.911 -6.583) 7.236 13.981 ( -6.351 11.411 0.521) 13.070 15.709 ( 1.735 -3.034 -0.517) 3.533 16.859 ( -0.163 -9.584 -1.146) 9.654 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( -8.746 5.328 -1.732) 10.386 4.640 ( -11.722 -5.781 -14.719) 19.684 4.969 ( -4.481 3.004 -1.908) 5.722 5.205 ( -16.027 -4.329 -25.633) 30.539 5.364 ( 8.870 18.568 -7.653) 21.955 6.188 ( 5.047 -10.090 -2.390) 11.532 6.459 ( 2.041 0.768 0.516) 2.241 7.569 ( -3.657 -2.592 0.700) 4.537 8.242 ( 1.530 -7.356 11.566) 13.792 8.806 ( 0.185 4.964 10.550) 11.661 9.308 ( 9.670 -4.226 10.782) 15.086 9.771 ( -0.252 12.112 17.868) 21.588 11.285 ( 0.807 7.191 -2.194) 7.562 11.844 ( 5.654 -10.735 -1.077) 12.181 12.747 ( 2.067 -1.610 -7.808) 8.235 13.975 ( -7.551 11.024 0.354) 13.367 15.722 ( 3.042 -2.481 -0.124) 3.928 16.800 ( 3.574 -7.048 -2.766) 8.372 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.623 ( -13.143 2.624 -0.371) 13.408 4.236 ( -22.459 -6.257 -12.025) 26.233 4.938 ( -3.725 0.892 1.125) 3.992 4.962 ( -1.681 4.123 -18.997) 19.512 5.582 ( 1.727 10.764 -10.161) 14.903 6.197 ( 8.504 -9.913 -2.798) 13.357 6.490 ( 0.300 3.345 -4.247) 5.414 7.430 ( -7.041 -7.478 1.768) 10.422 8.132 ( -6.855 -12.235 11.692) 18.259 8.897 ( 0.200 5.061 8.653) 10.027 9.400 ( -0.059 0.251 5.537) 5.543 10.036 ( 10.888 10.251 20.640) 25.488 11.390 ( 3.455 8.330 -0.835) 9.057 11.874 ( 9.593 -7.889 -1.963) 12.574 12.780 ( 6.379 -0.192 -7.817) 10.091 13.946 ( -7.541 9.147 0.091) 11.855 15.752 ( 1.961 -1.415 2.131) 3.223 16.827 ( 7.814 -4.201 -5.239) 10.303 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( -18.231 1.340 2.828) 18.498 3.726 ( -25.581 -9.324 -7.106) 28.139 4.846 ( -7.412 -1.494 -0.173) 7.563 5.126 ( 15.037 13.657 -5.369) 21.010 5.507 ( -14.503 1.270 -8.614) 16.916 6.236 ( 7.830 -10.379 -4.751) 13.842 6.515 ( -0.271 7.510 -10.462) 12.881 7.233 ( -6.256 -12.068 5.448) 14.644 7.915 ( -7.326 -13.282 12.284) 19.519 8.960 ( -1.499 6.117 3.704) 7.306 9.370 ( -5.188 1.444 2.539) 5.954 10.395 ( 13.118 7.502 14.253) 20.773 11.549 ( 6.909 6.961 0.228) 9.810 12.003 ( 13.022 -3.090 -0.883) 13.413 12.907 ( 11.017 1.402 -6.627) 12.933 13.905 ( -6.444 6.664 -0.227) 9.273 15.760 ( -1.387 -1.057 5.628) 5.892 16.938 ( 11.038 -1.253 -7.915) 13.640 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( -25.929 -5.769 5.735) 27.175 3.203 ( -24.939 -6.325 -0.695) 25.738 4.655 ( -12.090 -6.092 -1.546) 13.626 5.055 ( -32.296 -1.344 -5.790) 32.838 5.656 ( 25.705 17.182 6.868) 31.672 6.152 ( -3.590 -12.069 -13.388) 18.379 6.561 ( 1.341 6.456 -6.366) 9.166 7.051 ( -3.768 -11.274 7.375) 13.989 7.790 ( 3.507 -11.977 11.618) 17.051 8.981 ( -3.180 5.239 -2.092) 6.476 9.306 ( -5.049 4.095 -0.185) 6.504 10.662 ( 8.351 3.412 4.783) 10.211 11.750 ( 9.900 5.208 1.020) 11.233 12.242 ( 16.675 0.932 1.553) 16.773 13.119 ( 14.298 2.582 -5.506) 15.538 13.862 ( -4.736 4.323 -0.572) 6.438 15.714 ( -5.720 -1.912 9.567) 11.310 17.103 ( 11.827 1.618 -10.108) 15.642 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 0.000 30.820 18.467) 35.929 2.118 ( 0.000 25.863 21.576) 33.681 2.891 ( 0.000 40.071 27.329) 48.504 4.033 ( -0.000 7.636 -8.715) 11.586 4.726 ( -0.000 31.101 -5.399) 31.566 6.728 ( -0.000 4.069 -14.105) 14.681 6.778 ( 0.000 -4.158 -0.501) 4.188 6.827 ( -0.000 -4.493 -4.357) 6.259 8.694 ( -0.000 -10.948 -12.413) 16.551 9.037 ( -0.000 2.843 -1.337) 3.142 9.585 ( 0.000 -43.903 31.648) 54.121 10.580 ( -0.000 5.550 -6.752) 8.740 12.328 ( 0.000 -8.700 1.356) 8.805 13.071 ( -0.000 -9.771 -5.983) 11.457 13.633 ( -0.000 -10.200 -6.846) 12.284 13.775 ( -0.000 -0.052 -0.560) 0.562 15.429 ( 0.000 29.909 11.307) 31.975 17.163 ( -0.000 -5.971 -14.330) 15.524 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -0.393 24.011 20.990) 31.894 2.416 ( 1.178 32.491 12.698) 34.904 3.601 ( 25.961 32.816 14.762) 44.371 4.185 ( 10.823 9.766 -8.820) 17.038 5.042 ( 4.991 29.118 -3.727) 29.777 6.703 ( -2.659 -6.292 -0.556) 6.854 6.722 ( -2.787 8.309 -10.057) 13.340 6.772 ( 1.561 -6.411 -2.989) 7.244 8.202 ( -32.465 -8.578 -3.443) 33.755 9.029 ( 1.437 -5.508 3.430) 6.646 9.509 ( 12.906 -24.699 10.906) 29.925 10.597 ( -1.625 2.317 -8.299) 8.768 12.189 ( -5.529 -8.998 0.457) 10.571 12.915 ( -5.044 -12.244 -0.577) 13.255 13.433 ( -6.642 -11.362 -7.745) 15.270 13.797 ( 2.328 0.255 -0.598) 2.417 15.715 ( -1.456 20.688 16.304) 26.381 17.136 ( 9.359 -8.816 -14.762) 19.576 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 8.262 23.676 15.987) 29.739 2.825 ( 5.430 31.602 9.022) 33.310 4.259 ( 17.795 14.334 0.179) 22.851 4.524 ( 20.649 15.829 -11.369) 28.393 5.429 ( 10.901 24.070 6.064) 27.110 6.575 ( -3.473 -8.873 -0.512) 9.542 6.727 ( -1.609 5.791 -9.198) 10.988 6.767 ( 3.330 -0.811 4.952) 6.022 7.648 ( -26.664 -0.403 2.238) 26.761 9.024 ( 4.378 -9.025 3.258) 10.547 9.496 ( 5.263 -12.667 0.642) 13.731 10.453 ( -11.610 -3.371 -13.492) 18.116 12.000 ( -8.556 -6.576 0.938) 10.832 12.677 ( -8.944 -12.818 4.098) 16.159 13.199 ( -4.486 -11.267 -8.093) 14.579 13.850 ( 3.135 1.670 -0.648) 3.610 15.876 ( -5.006 13.107 16.221) 21.447 17.153 ( 9.233 -12.484 -11.599) 19.382 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 15.655 23.183 9.053) 29.402 3.238 ( 5.822 28.783 8.089) 30.460 4.536 ( 8.500 6.950 -5.967) 12.497 4.959 ( 17.962 12.590 -15.565) 26.896 5.882 ( 13.149 16.965 15.081) 26.233 6.425 ( -3.168 -10.269 -0.415) 10.754 6.734 ( -0.149 3.058 -3.975) 5.017 6.881 ( 6.958 0.112 6.651) 9.626 7.375 ( -11.011 9.213 5.217) 15.275 8.996 ( 0.767 -8.584 1.296) 8.715 9.472 ( 3.682 -6.267 -3.649) 8.133 10.077 ( -19.504 -7.539 -16.825) 26.839 11.780 ( -11.868 -4.738 1.651) 12.885 12.436 ( -8.553 -10.001 5.693) 14.338 13.022 ( -1.304 -10.759 -6.640) 12.710 13.927 ( 2.947 4.342 -0.636) 5.286 15.916 ( -7.472 7.473 12.459) 16.337 17.110 ( 5.567 -15.739 -7.260) 18.205 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 19.144 19.727 2.351) 27.589 3.610 ( 3.292 27.042 7.431) 28.237 4.687 ( 6.236 4.928 -6.576) 10.316 5.278 ( 12.037 12.481 -9.334) 19.692 6.163 ( 0.318 7.532 4.465) 8.762 6.282 ( -0.165 -12.839 2.255) 13.037 6.684 ( -7.815 -0.265 0.349) 7.827 7.090 ( 14.441 4.890 8.845) 17.627 7.487 ( 7.524 8.467 6.953) 13.291 8.889 ( -4.957 -5.610 -1.983) 7.744 9.407 ( -5.424 -7.063 -15.299) 17.702 9.696 ( -8.195 -3.620 -2.631) 9.337 11.549 ( -11.286 -3.008 1.784) 11.815 12.231 ( -8.770 -7.647 5.463) 12.854 12.899 ( 0.208 -9.265 -5.478) 10.766 14.025 ( 1.750 8.215 -0.548) 8.417 15.865 ( -8.189 2.567 7.736) 11.554 16.996 ( 2.609 -17.647 -3.854) 18.251 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( -1.128 22.433 4.807) 22.970 4.073 ( 18.969 14.230 -3.455) 23.964 4.822 ( 5.941 7.173 -3.789) 10.056 5.520 ( 3.226 14.577 -8.548) 17.204 6.086 ( -9.381 0.433 -5.640) 10.955 6.220 ( 2.331 -12.180 7.952) 14.732 6.510 ( -10.668 -1.652 -3.004) 11.205 7.416 ( 11.876 3.540 9.782) 15.788 7.712 ( 11.443 1.066 3.972) 12.160 8.757 ( -2.631 -3.534 0.651) 4.454 9.157 ( -7.712 -2.698 -10.951) 13.663 9.687 ( 3.267 -0.281 4.300) 5.407 11.384 ( -7.442 0.712 1.629) 7.651 12.026 ( -8.709 -8.289 4.792) 12.943 12.808 ( 0.216 -7.041 -5.767) 9.104 14.133 ( -0.818 12.758 -0.269) 12.787 15.761 ( -6.418 -1.891 3.482) 7.542 16.848 ( 1.609 -17.870 -1.859) 18.038 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.016 ( -6.262 15.053 0.105) 16.303 4.445 ( 15.613 6.139 -5.858) 17.769 5.004 ( 4.907 12.316 -2.559) 13.502 5.556 ( -11.910 16.973 -11.603) 23.761 5.837 ( -16.750 -3.055 -16.487) 23.701 6.138 ( -1.506 -12.111 4.724) 13.086 6.365 ( -0.387 -2.373 1.173) 2.675 7.560 ( 3.025 0.611 2.059) 3.710 7.943 ( 14.240 -4.515 10.733) 18.395 8.781 ( 4.059 -0.345 10.831) 11.572 9.062 ( -0.470 1.926 -3.726) 4.221 9.765 ( 3.834 0.167 4.891) 6.217 11.336 ( -3.296 6.502 1.856) 7.522 11.823 ( -6.259 -10.696 4.031) 13.032 12.729 ( 0.020 -5.275 -7.254) 8.969 14.228 ( -5.101 16.485 0.188) 17.257 15.660 ( -1.887 -5.008 0.485) 5.374 16.709 ( 2.564 -16.613 -1.182) 16.851 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.987 ( -9.346 7.930 -2.573) 12.524 4.653 ( 4.806 3.909 -5.720) 8.432 5.078 ( -6.746 5.149 -7.498) 11.325 5.391 ( -20.088 -3.329 -25.506) 32.637 5.547 ( -6.862 25.682 -6.395) 27.341 6.019 ( 0.930 -12.666 2.748) 12.994 6.412 ( 4.234 -0.011 2.196) 4.770 7.579 ( -0.509 -3.935 2.638) 4.765 8.107 ( 8.723 -11.055 12.586) 18.887 8.892 ( 0.796 6.449 8.275) 10.521 9.162 ( 9.209 2.326 6.606) 11.570 9.848 ( 4.628 -0.368 5.428) 7.143 11.403 ( -1.643 13.559 2.632) 13.910 11.657 ( -0.427 -13.918 3.130) 14.272 12.664 ( 1.213 -4.379 -8.924) 10.014 14.267 ( -9.916 16.918 0.454) 19.615 15.624 ( 3.555 -4.883 -0.535) 6.064 16.618 ( 5.099 -14.355 -1.647) 15.322 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( -11.242 4.398 -1.947) 12.227 4.557 ( -19.977 5.092 -8.424) 22.270 4.985 ( -2.262 0.045 -2.358) 3.268 5.031 ( -9.956 3.295 -21.200) 23.652 5.705 ( -2.956 20.438 -9.405) 22.692 5.965 ( 5.736 -10.510 3.789) 12.558 6.490 ( 2.726 3.795 -1.738) 4.985 7.466 ( -6.019 -10.571 3.866) 12.764 8.090 ( 0.381 -16.516 12.647) 20.806 8.985 ( -0.358 8.929 2.541) 9.290 9.380 ( 6.944 3.647 8.878) 11.847 9.979 ( 10.266 0.061 7.367) 12.635 11.494 ( -3.720 7.505 2.891) 8.861 11.623 ( 8.803 -4.940 2.746) 10.461 12.641 ( 4.808 -3.585 -9.411) 11.160 14.226 ( -12.302 13.412 0.194) 18.200 15.676 ( 5.761 -1.723 0.924) 6.084 16.601 ( 8.794 -11.271 -3.144) 14.638 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( -13.498 3.635 1.168) 14.028 4.116 ( -30.550 0.170 -6.683) 31.273 4.935 ( -4.015 -1.452 -0.662) 4.321 5.044 ( 7.424 13.737 -8.761) 17.905 5.704 ( -6.808 5.742 -12.826) 15.615 6.026 ( 4.719 -3.079 4.741) 7.364 6.563 ( 0.567 9.097 -7.578) 11.854 7.227 ( -7.826 -16.376 5.822) 19.061 7.914 ( -5.245 -18.810 13.058) 23.491 9.070 ( -1.251 10.403 -0.192) 10.480 9.454 ( -2.093 0.509 2.752) 3.495 10.242 ( 15.967 1.425 6.177) 17.179 11.517 ( 4.683 -2.634 2.569) 5.956 11.794 ( 7.899 6.067 3.248) 10.477 12.707 ( 9.914 -1.588 -7.931) 12.795 14.131 ( -11.493 8.676 -0.304) 14.403 15.760 ( 3.146 0.449 4.273) 5.325 16.679 ( 12.796 -6.740 -5.259) 15.389 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( -20.240 3.321 5.727) 21.295 3.554 ( -30.601 -4.539 -3.859) 31.175 4.801 ( -9.752 -2.412 -1.015) 10.097 5.436 ( 16.283 17.768 -0.189) 24.102 5.514 ( -13.995 5.847 -8.699) 17.485 6.022 ( -0.573 -8.787 2.747) 9.225 6.627 ( -1.853 12.099 -11.255) 16.628 6.988 ( -2.905 -16.864 7.528) 18.695 7.690 ( -3.787 -18.302 12.188) 22.313 9.115 ( -4.979 8.302 -2.418) 9.978 9.401 ( -3.074 1.055 -1.228) 3.474 10.506 ( 13.495 -1.169 -1.191) 13.598 11.630 ( 9.751 -1.149 2.678) 10.177 12.012 ( 11.419 4.017 4.120) 12.787 12.882 ( 13.745 1.057 -5.908) 14.998 14.021 ( -9.037 4.794 -0.679) 10.252 15.794 ( -1.683 -0.682 7.800) 8.008 16.856 ( 14.930 -0.745 -6.703) 16.382 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 0.000 24.472 16.835) 29.703 2.678 ( 0.000 20.336 13.137) 24.210 3.794 ( -0.000 40.245 7.176) 40.880 4.165 ( -0.000 11.763 -7.534) 13.969 5.256 ( -0.000 26.529 -4.710) 26.944 6.653 ( 0.000 -12.834 0.933) 12.867 6.673 ( 0.000 -6.229 -0.886) 6.291 6.830 ( -0.000 14.511 -6.530) 15.913 8.319 ( -0.000 -18.181 -14.647) 23.347 9.104 ( 0.000 -23.271 18.016) 29.430 9.124 ( -0.000 6.271 1.489) 6.445 10.615 ( -0.000 2.708 -7.445) 7.922 12.113 ( 0.000 -13.440 -1.378) 13.511 12.844 ( 0.000 -11.938 1.585) 12.042 13.342 ( -0.000 -14.250 -8.558) 16.622 13.785 ( 0.000 0.960 0.766) 1.229 15.976 ( 0.000 16.191 19.872) 25.633 16.920 ( -0.000 -7.641 -16.849) 18.501 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -0.236 20.812 13.825) 24.986 3.012 ( 8.592 21.891 10.229) 25.645 4.225 ( 7.119 25.295 -3.445) 26.503 4.369 ( 12.335 16.761 -8.376) 22.433 5.528 ( 5.701 22.804 0.897) 23.523 6.514 ( -0.682 -16.576 5.156) 17.373 6.605 ( 0.964 -7.908 -1.476) 8.103 6.948 ( -3.484 17.974 -1.010) 18.337 7.968 ( -14.924 -11.054 -7.027) 19.857 8.929 ( -1.646 -7.001 5.556) 9.088 9.292 ( 7.336 -2.140 1.259) 7.744 10.549 ( -7.093 -1.113 -10.469) 12.695 11.975 ( -0.038 -12.591 -1.227) 12.651 12.694 ( -5.383 -12.344 5.390) 14.506 13.128 ( -4.461 -14.221 -8.825) 17.321 13.819 ( 2.324 1.918 0.362) 3.035 16.132 ( -3.862 9.142 20.195) 22.502 16.857 ( 6.642 -8.540 -15.428) 18.843 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 8.567 20.595 8.905) 24.017 3.413 ( 9.864 22.887 9.762) 26.765 4.467 ( 5.522 11.114 -8.897) 15.270 4.758 ( 16.608 16.695 -12.288) 26.562 5.875 ( 10.143 15.023 8.262) 19.921 6.359 ( -1.042 -15.632 6.943) 17.136 6.581 ( 7.086 -8.074 -0.900) 10.780 7.028 ( -6.944 13.641 7.068) 16.860 7.680 ( -12.927 4.362 -1.055) 13.684 8.909 ( 2.651 -2.165 -1.921) 3.925 9.336 ( 2.184 -3.346 -2.817) 4.889 10.263 ( -17.197 -6.221 -15.834) 24.190 11.859 ( -2.934 -8.617 1.107) 9.170 12.492 ( -7.116 -10.571 8.041) 15.068 12.907 ( -2.256 -13.331 -7.875) 15.647 13.902 ( 4.218 4.113 -0.554) 5.918 16.164 ( -7.306 4.608 16.278) 18.428 16.825 ( 6.181 -12.722 -10.821) 17.808 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( 13.571 17.859 3.871) 22.762 3.835 ( 7.921 26.303 10.038) 29.246 4.591 ( 5.698 4.623 -11.352) 13.517 5.146 ( 15.994 15.030 -7.752) 23.276 6.069 ( 5.708 -12.902 9.370) 16.937 6.278 ( -0.507 -0.279 3.329) 3.379 6.688 ( 9.395 -3.183 -0.774) 9.950 7.052 ( -3.372 8.063 15.168) 17.506 7.618 ( -6.177 12.849 2.308) 14.442 8.923 ( -1.038 2.868 -6.300) 6.999 9.292 ( 0.723 -7.615 -9.379) 12.103 9.833 ( -17.181 -6.749 -13.948) 23.136 11.699 ( -8.652 -5.200 3.684) 10.746 12.327 ( -7.104 -6.223 7.500) 12.059 12.754 ( 1.699 -12.531 -6.126) 14.051 14.033 ( 5.279 7.322 -1.117) 9.095 16.092 ( -10.619 1.957 11.292) 15.624 16.737 ( 4.249 -17.498 -6.548) 19.160 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.902 ( 15.114 13.322 0.735) 20.160 4.181 ( -1.285 24.437 4.459) 24.873 4.732 ( 11.002 5.990 -6.039) 13.906 5.517 ( 12.319 16.175 -3.281) 20.595 5.992 ( 3.957 -21.171 10.137) 23.804 6.266 ( -4.931 3.689 -3.817) 7.245 6.670 ( -7.785 -1.323 -1.597) 8.057 7.268 ( 12.536 4.538 16.022) 20.843 7.669 ( -1.822 6.671 3.156) 7.602 8.841 ( -9.119 2.341 -6.850) 11.643 9.159 ( -0.859 -5.375 -16.167) 17.059 9.605 ( -0.573 -4.697 -2.996) 5.600 11.537 ( -8.354 -0.801 6.114) 10.383 12.151 ( -10.482 -5.239 5.287) 12.856 12.679 ( 3.566 -9.462 -5.095) 11.323 14.207 ( 5.281 11.470 -1.216) 12.686 15.932 ( -12.613 -0.626 6.541) 14.222 16.600 ( 3.735 -20.584 -3.500) 21.211 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.251 ( 9.354 8.359 -8.274) 15.028 4.274 ( -2.446 12.976 4.722) 14.024 5.024 ( 9.685 15.802 0.189) 18.534 5.772 ( -0.700 8.049 0.485) 8.094 5.920 ( 4.079 -4.765 -2.213) 6.651 6.137 ( -10.396 -0.971 -5.312) 11.715 6.463 ( -12.476 -0.765 -2.363) 12.721 7.523 ( 6.227 0.824 9.194) 11.135 7.708 ( 6.920 -5.011 5.793) 10.322 8.758 ( 0.895 1.060 5.262) 5.442 9.098 ( -1.015 4.589 -13.080) 13.898 9.610 ( 7.359 -7.464 -2.467) 10.768 11.468 ( -4.457 3.429 8.642) 10.310 11.927 ( -11.615 -4.997 3.431) 13.102 12.634 ( 1.906 -6.609 -6.083) 9.182 14.409 ( 2.907 16.256 -0.762) 16.532 15.724 ( -10.947 -3.932 2.595) 11.918 16.459 ( 4.690 -21.194 -1.696) 21.773 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.192 ( -8.744 5.279 -4.784) 11.278 4.553 ( 11.320 7.215 -0.243) 13.426 5.238 ( -2.680 11.044 -0.509) 11.376 5.602 ( -16.087 -2.743 -20.210) 25.976 5.911 ( -8.378 10.759 -0.422) 13.643 5.986 ( -7.528 5.282 -1.607) 9.336 6.363 ( 1.640 1.421 1.374) 2.569 7.546 ( -0.601 -5.151 4.014) 6.558 7.843 ( 12.764 -13.870 12.170) 22.437 8.913 ( 7.895 5.096 12.556) 15.683 9.123 ( 1.869 8.488 -7.747) 11.643 9.659 ( 9.751 -9.963 -4.662) 14.699 11.483 ( -0.779 -2.442 10.563) 10.870 11.740 ( -9.450 5.334 2.515) 11.139 12.568 ( 0.495 -6.067 -8.254) 10.256 14.577 ( -4.588 19.461 0.144) 19.995 15.551 ( -3.008 -6.018 -0.040) 6.727 16.350 ( 6.700 -19.804 -1.058) 20.934 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( -9.794 3.223 -2.740) 10.669 4.759 ( 4.925 6.732 -0.823) 8.382 5.133 ( -15.679 3.779 -1.624) 16.210 5.207 ( -17.316 2.357 -24.969) 30.477 5.829 ( -4.366 -8.494 5.707) 11.126 6.034 ( -5.768 26.677 -2.228) 27.384 6.470 ( 4.616 7.013 -2.159) 8.669 7.445 ( -3.441 -13.000 5.437) 14.505 7.892 ( 7.294 -19.646 12.487) 24.394 9.080 ( 1.092 10.541 -1.767) 10.743 9.322 ( 9.471 7.427 8.676) 14.837 9.724 ( 13.411 -10.294 -5.900) 17.906 11.403 ( -0.092 -13.996 6.463) 15.416 11.790 ( -4.127 19.923 7.142) 21.562 12.494 ( 2.549 -6.922 -9.953) 12.388 14.588 ( -14.175 14.951 0.297) 20.604 15.551 ( 6.991 -1.314 -0.008) 7.113 16.304 ( 9.730 -16.820 -1.475) 19.487 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.921 ( -10.486 2.944 0.601) 10.908 4.655 ( -30.013 6.836 -4.247) 31.073 4.929 ( 1.373 -2.885 -3.687) 4.878 5.086 ( -0.973 12.394 -9.044) 15.374 5.702 ( -2.554 -7.813 0.759) 8.255 6.171 ( -6.045 20.836 0.082) 21.695 6.612 ( 2.898 12.029 -6.188) 13.834 7.218 ( -8.043 -18.081 6.929) 20.967 7.799 ( 0.995 -22.071 12.744) 25.505 9.189 ( -0.106 12.897 -4.023) 13.510 9.460 ( 1.355 -2.200 1.235) 2.864 9.927 ( 19.846 -4.013 -3.032) 20.473 11.335 ( 5.595 -11.810 5.305) 14.104 11.930 ( -4.298 15.869 7.208) 17.951 12.496 ( 8.971 -4.070 -8.349) 12.914 14.435 ( -15.730 7.568 -0.474) 17.462 15.699 ( 7.138 2.843 2.832) 8.189 16.357 ( 14.113 -10.659 -2.810) 17.907 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.761 ( -13.166 2.081 2.651) 13.591 4.121 ( -35.726 1.206 -0.729) 35.753 4.894 ( -3.610 -0.969 -2.474) 4.483 5.331 ( 13.399 17.457 0.718) 22.018 5.599 ( -1.457 -5.189 -4.626) 7.103 6.196 ( -12.482 12.721 2.976) 18.069 6.748 ( 1.312 14.406 -9.295) 17.194 6.920 ( -8.300 -17.198 7.451) 20.499 7.610 ( -3.287 -21.001 12.927) 24.879 9.268 ( -4.293 8.800 -3.503) 10.399 9.410 ( 0.043 -3.072 -4.137) 5.153 10.185 ( 17.873 -6.052 -9.014) 20.912 11.412 ( 11.498 -6.225 5.302) 14.109 12.002 ( -0.149 5.211 5.346) 7.467 12.658 ( 12.733 2.641 -4.312) 13.701 14.241 ( -13.056 3.085 -0.936) 13.448 15.805 ( 2.183 -0.711 5.549) 6.005 16.559 ( 17.616 -0.635 -3.406) 17.954 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 0.000 14.696 5.868) 15.824 3.082 ( 0.000 18.092 13.901) 22.815 4.369 ( -0.000 13.383 -5.153) 14.341 4.440 ( -0.000 27.169 -11.425) 29.473 5.692 ( -0.000 20.865 1.825) 20.944 6.333 ( 0.000 -24.162 10.710) 26.429 6.536 ( 0.000 -7.285 -0.651) 7.314 7.160 ( -0.000 18.549 0.405) 18.553 7.906 ( -0.000 -10.901 -13.432) 17.299 8.920 ( 0.000 -4.411 4.482) 6.289 9.290 ( 0.000 8.790 4.067) 9.685 10.575 ( -0.000 -1.163 -9.273) 9.346 11.811 ( 0.000 -15.813 -3.722) 16.245 12.646 ( 0.000 -11.689 7.249) 13.755 12.994 ( -0.000 -15.290 -9.624) 18.067 13.816 ( 0.000 1.298 1.525) 2.003 16.261 ( 0.000 -2.417 18.028) 18.189 16.719 ( -0.000 0.393 -12.899) 12.905 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 2.732 16.329 6.902) 17.938 3.409 ( 12.374 13.786 8.822) 20.518 4.509 ( 1.888 12.883 -7.197) 14.878 4.668 ( 8.207 17.110 -13.426) 23.246 5.894 ( 3.419 4.355 5.714) 7.957 6.188 ( 4.220 -15.246 13.687) 20.918 6.460 ( 0.172 -6.714 0.255) 6.721 7.270 ( -3.896 9.572 3.488) 10.908 7.818 ( -2.171 6.669 -10.046) 12.252 8.900 ( -1.582 3.014 -0.604) 3.457 9.365 ( -2.904 6.536 2.235) 7.493 10.412 ( -12.470 -4.904 -13.121) 18.754 11.711 ( 6.213 -13.206 -2.501) 14.808 12.520 ( -4.945 -11.054 9.905) 15.645 12.791 ( -2.658 -14.279 -9.202) 17.194 13.868 ( 3.784 2.563 0.860) 4.650 16.249 ( 0.813 -9.182 10.010) 13.608 16.702 ( -2.028 1.570 -4.703) 5.357 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( 8.560 15.689 4.378) 18.401 3.832 ( 18.997 14.771 8.731) 25.599 4.577 ( -1.368 8.278 -12.378) 14.954 4.991 ( 16.297 13.577 -6.139) 22.082 5.844 ( 4.331 -25.585 12.995) 29.021 6.276 ( 2.546 1.945 6.004) 6.806 6.488 ( 8.801 -1.557 2.905) 9.398 7.279 ( -5.296 7.379 7.094) 11.525 7.855 ( -5.339 16.041 -5.042) 17.642 8.928 ( 0.547 6.271 -5.123) 8.116 9.317 ( -8.437 2.555 -2.796) 9.248 10.019 ( -19.124 -7.568 -15.886) 25.988 11.700 ( 3.161 -7.902 0.118) 8.512 12.378 ( -4.091 -8.061 10.885) 14.149 12.594 ( -1.146 -13.803 -7.556) 15.778 13.996 ( 6.590 5.854 -0.222) 8.818 16.190 ( 0.474 -11.241 6.346) 12.918 16.615 ( -6.613 -2.922 -1.550) 7.394 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.811 ( 11.293 12.396 1.809) 16.867 4.352 ( 16.298 20.117 10.347) 27.882 4.575 ( 2.569 2.516 -12.271) 12.787 5.396 ( 18.107 12.341 -0.926) 21.933 5.727 ( 6.266 -24.895 13.720) 29.108 6.316 ( 0.149 0.601 1.126) 1.285 6.628 ( 6.868 -3.841 0.817) 7.912 7.323 ( -2.350 9.817 10.855) 14.823 7.870 ( -8.860 12.746 -1.815) 15.629 8.993 ( 1.264 7.945 -8.917) 12.010 9.091 ( -14.116 -4.642 -10.622) 18.265 9.649 ( -11.029 -4.274 -8.972) 14.845 11.647 ( -3.409 -2.465 4.015) 5.815 12.263 ( -7.351 -6.515 5.006) 11.025 12.482 ( 5.841 -11.389 -2.970) 13.139 14.193 ( 8.132 10.071 -0.905) 12.976 16.087 ( -2.866 -10.587 5.081) 12.087 16.425 ( -8.004 -9.273 -1.495) 12.341 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( 12.218 8.886 -1.049) 15.144 4.474 ( -6.447 6.160 -3.192) 9.471 4.939 ( 19.791 13.748 6.045) 24.844 5.654 ( 9.158 -18.426 10.572) 23.134 5.824 ( 12.933 15.340 1.407) 20.114 6.274 ( -6.082 1.127 -7.599) 9.798 6.606 ( -4.304 -4.450 -1.141) 6.295 7.444 ( 3.527 3.449 11.532) 12.543 7.778 ( -11.224 4.159 -1.400) 12.052 8.814 ( -7.134 -1.816 -4.092) 8.423 9.068 ( 3.063 5.901 -11.567) 13.342 9.493 ( -2.382 -3.551 -4.837) 6.456 11.600 ( -4.368 1.821 9.121) 10.275 12.054 ( -8.938 -7.352 -1.102) 11.626 12.500 ( 5.245 -6.343 -1.303) 8.333 14.449 ( 8.792 14.575 -1.088) 17.056 15.915 ( -10.534 -5.976 4.021) 12.761 16.195 ( -1.981 -18.041 -1.983) 18.258 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.316 ( 0.081 5.125 -6.926) 8.616 4.457 ( 4.515 4.348 2.600) 6.786 5.277 ( 7.724 -1.235 11.523) 13.927 5.693 ( 0.177 3.748 -7.264) 8.176 6.058 ( -8.052 1.130 -2.133) 8.406 6.190 ( 4.101 18.355 -4.895) 19.434 6.451 ( -8.527 0.526 -1.850) 8.742 7.546 ( 4.289 -6.296 9.650) 12.295 7.602 ( -5.824 -7.780 1.930) 9.908 8.842 ( 8.225 2.427 6.862) 10.983 9.140 ( 2.943 7.569 -10.631) 13.378 9.435 ( 2.327 -5.791 -5.667) 8.430 11.551 ( -6.971 -4.758 12.299) 14.917 11.902 ( -3.021 3.641 -2.783) 5.489 12.489 ( 0.405 -5.041 -3.408) 6.099 14.743 ( 6.796 19.115 -0.635) 20.297 15.656 ( -14.663 -4.160 1.383) 15.304 16.029 ( 5.934 -22.410 -0.949) 23.202 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.240 ( -8.576 3.677 -1.911) 9.525 4.649 ( 10.513 2.392 -1.725) 10.919 5.294 ( -2.596 -5.467 5.979) 8.508 5.486 ( -17.992 3.139 -20.213) 27.242 5.973 ( -12.164 4.191 11.414) 17.199 6.392 ( -5.692 25.195 -5.031) 26.316 6.461 ( 6.250 11.196 -4.412) 13.560 7.393 ( -5.261 -14.006 4.939) 15.756 7.587 ( 9.026 -20.395 10.666) 24.722 9.074 ( 10.569 4.781 -1.866) 11.749 9.277 ( 7.406 7.058 3.198) 10.719 9.418 ( 5.711 -5.098 -8.339) 11.320 11.366 ( -7.068 -11.923 7.823) 15.915 12.008 ( 2.582 14.797 3.001) 15.318 12.392 ( -2.966 -7.048 -5.825) 9.613 14.951 ( -8.548 18.249 0.308) 20.154 15.460 ( -0.161 -2.056 -0.446) 2.110 15.954 ( 10.188 -20.498 -0.411) 22.894 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.123 ( -9.669 3.795 2.153) 10.608 4.802 ( 7.861 -1.038 -4.972) 9.359 5.137 ( -20.928 4.669 -13.518) 25.347 5.225 ( -5.377 4.279 3.692) 7.801 5.790 ( -13.157 -1.422 10.257) 16.743 6.499 ( -7.563 21.968 -2.912) 23.415 6.674 ( 2.711 17.090 -8.509) 19.283 7.180 ( -4.541 -17.385 7.941) 19.644 7.546 ( 7.487 -23.941 11.784) 27.715 9.234 ( 8.268 2.237 -11.860) 14.629 9.361 ( 1.928 -2.920 -2.329) 4.203 9.611 ( 13.980 4.801 1.741) 14.884 11.208 ( -0.713 -10.085 6.515) 12.027 12.182 ( -7.748 7.866 4.650) 11.980 12.287 ( 8.970 -1.509 -5.849) 10.814 14.786 ( -19.328 5.108 -0.545) 19.999 15.612 ( 8.865 5.952 1.590) 10.795 15.996 ( 15.460 -11.992 -1.095) 19.596 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.000 ( -11.324 3.165 4.933) 12.751 4.658 ( -25.671 -4.264 -5.061) 26.510 4.912 ( -2.424 4.337 -1.914) 5.324 5.335 ( 6.533 15.419 0.336) 16.749 5.620 ( -8.014 -3.513 8.303) 12.063 6.532 ( -10.061 15.725 -4.548) 19.215 6.731 ( -0.523 -7.349 -1.741) 7.570 7.029 ( -5.967 5.264 2.291) 8.280 7.469 ( 2.858 -18.157 13.298) 22.687 9.260 ( 5.315 -13.277 -10.859) 17.957 9.409 ( -0.165 12.005 -3.562) 12.524 9.825 ( 12.413 -4.711 -8.198) 15.604 11.224 ( 7.497 -3.268 6.850) 10.668 12.045 ( -3.078 -8.065 0.172) 8.634 12.520 ( 9.232 10.171 0.810) 13.760 14.502 ( -16.794 0.231 -1.020) 16.826 15.744 ( 4.878 -3.108 3.072) 6.549 16.257 ( 19.263 4.297 -0.798) 19.753 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( -0.000 10.630 1.935) 10.805 3.458 ( 0.000 12.942 11.246) 17.145 4.588 ( -0.000 12.062 -3.604) 12.589 4.697 ( -0.000 11.483 -16.518) 20.117 5.762 ( 0.000 -29.545 14.315) 32.831 6.186 ( 0.000 11.049 7.591) 13.406 6.396 ( 0.000 -6.996 0.269) 7.001 7.338 ( 0.000 0.717 0.990) 1.222 7.932 ( -0.000 20.499 -9.475) 22.583 8.969 ( -0.000 7.988 -2.506) 8.372 9.495 ( 0.000 8.963 4.730) 10.134 10.449 ( -0.000 -4.463 -11.945) 12.752 11.482 ( -0.000 -15.124 -4.430) 15.759 12.496 ( 0.000 -10.420 11.223) 15.315 12.649 ( -0.000 -13.630 -9.599) 16.671 13.849 ( 0.000 1.068 1.447) 1.798 16.137 ( 0.000 -12.398 1.076) 12.445 16.771 ( 0.000 3.944 3.940) 5.575 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( 7.903 11.596 2.051) 14.182 3.686 ( 10.993 9.425 9.432) 17.281 4.658 ( -2.275 8.306 -9.561) 12.868 4.841 ( 11.768 9.269 -6.504) 16.331 5.531 ( 3.891 -34.343 17.940) 38.942 6.291 ( -0.289 1.037 3.756) 3.908 6.386 ( 5.066 0.816 1.361) 5.309 7.371 ( 0.814 4.933 1.702) 5.282 8.089 ( -3.557 21.707 -7.218) 23.151 9.027 ( -2.709 10.915 -3.803) 11.872 9.520 ( -8.240 7.138 1.979) 11.080 10.202 ( -16.432 -6.852 -14.366) 22.876 11.457 ( 12.228 -10.863 -3.074) 16.642 12.398 ( -3.830 -9.739 10.729) 14.988 12.479 ( -2.215 -11.735 -6.704) 13.695 13.923 ( 6.624 2.575 0.800) 7.152 16.034 ( 1.723 -12.818 -0.936) 12.967 16.759 ( -6.704 1.258 5.404) 8.702 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.771 ( 8.140 10.386 2.649) 13.460 4.103 ( 24.953 8.416 6.552) 27.137 4.644 ( -3.639 5.929 -6.781) 9.715 5.168 ( 17.845 4.435 1.376) 18.440 5.389 ( 10.070 -26.606 14.822) 32.078 6.302 ( 1.634 -1.776 4.088) 4.747 6.494 ( 5.931 -0.819 -0.618) 6.019 7.457 ( 0.260 8.407 2.879) 8.890 8.153 ( -8.971 16.819 -5.547) 19.853 9.058 ( -4.274 9.378 -3.661) 10.937 9.356 ( -17.132 3.989 -7.431) 19.096 9.799 ( -16.105 -5.229 -9.920) 19.625 11.575 ( 9.754 -4.277 -1.579) 10.767 12.287 ( -1.134 -12.893 -6.995) 14.712 12.320 ( -2.699 -6.338 12.138) 13.957 14.117 ( 10.874 6.585 0.058) 12.713 15.930 ( 1.628 -14.479 -1.008) 14.605 16.609 ( -13.131 -1.189 4.505) 13.933 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.009 ( 9.686 7.156 1.383) 12.122 4.542 ( 6.015 2.455 -8.396) 10.616 4.718 ( 16.507 7.436 14.558) 23.232 5.316 ( 13.892 -18.656 12.794) 26.546 5.658 ( 21.760 8.522 0.845) 23.384 6.309 ( -0.753 -1.838 -0.653) 2.091 6.543 ( 2.907 -4.172 -1.912) 5.432 7.536 ( -1.636 6.769 3.908) 7.985 8.064 ( -15.099 9.488 -4.951) 18.507 8.935 ( -13.543 -2.625 -4.966) 14.662 9.152 ( -7.049 11.234 -8.234) 15.610 9.551 ( -8.478 -1.415 -4.794) 9.842 11.669 ( 2.660 2.200 3.261) 4.749 12.071 ( -6.170 -12.013 -5.995) 14.776 12.345 ( 6.119 -5.569 6.827) 10.727 14.398 ( 12.563 11.420 -0.412) 16.983 15.805 ( 1.684 -16.407 -0.542) 16.502 16.342 ( -17.894 -2.965 2.851) 18.361 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.232 ( 10.253 4.240 -1.148) 11.154 4.520 ( -4.285 2.941 -2.327) 5.694 5.068 ( 14.518 -11.268 20.021) 27.177 5.566 ( 19.568 5.589 -2.064) 20.455 6.096 ( 14.447 10.731 2.565) 18.178 6.229 ( -1.428 1.196 -8.821) 9.016 6.487 ( -2.369 -6.619 -1.034) 7.105 7.530 ( -5.062 -0.452 4.360) 6.696 7.811 ( -18.869 1.575 -4.988) 19.580 8.785 ( -0.414 0.438 3.038) 3.097 9.160 ( -1.732 7.334 -3.154) 8.169 9.428 ( -4.111 1.457 -7.403) 8.593 11.677 ( -8.066 -4.779 9.542) 13.377 11.900 ( 1.509 -0.095 -8.367) 8.503 12.408 ( 4.381 -4.673 2.178) 6.766 14.742 ( 13.126 15.995 -0.595) 20.699 15.680 ( 3.172 -17.284 0.041) 17.572 15.992 ( -20.307 -4.545 1.178) 20.843 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.378 ( -0.157 3.981 -2.092) 4.500 4.503 ( 3.915 0.716 -0.012) 3.980 5.194 ( 8.125 -10.683 16.374) 21.172 5.671 ( -9.220 -0.197 -20.284) 22.282 6.261 ( -3.028 13.977 8.165) 16.468 6.382 ( 8.198 0.619 -2.514) 8.597 6.543 ( 12.967 13.179 -0.540) 18.497 7.388 ( -6.211 -11.880 3.036) 13.745 7.469 ( -16.051 -8.135 -1.161) 18.032 8.886 ( 7.861 -0.987 0.536) 7.941 9.229 ( 4.510 3.303 6.111) 8.282 9.404 ( -0.526 8.399 -9.344) 12.576 11.430 ( -10.693 -11.479 3.450) 16.063 12.019 ( 6.019 7.657 -1.228) 9.816 12.394 ( -1.477 -3.476 -0.220) 3.784 15.123 ( 11.106 19.985 -0.294) 22.865 15.589 ( -2.410 -8.578 0.437) 8.921 15.613 ( -10.009 -14.225 -0.157) 17.394 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.325 ( -8.384 4.112 3.488) 9.968 4.623 ( 9.195 -1.829 -5.215) 10.728 5.265 ( 2.714 -0.310 6.013) 6.605 5.404 ( -12.497 -0.426 -10.891) 16.582 6.108 ( -16.028 0.017 9.972) 18.877 6.738 ( 5.762 19.744 -7.370) 21.849 6.810 ( 0.567 19.008 -3.854) 19.403 7.110 ( -6.736 -16.366 5.417) 18.509 7.224 ( 3.900 -22.506 7.377) 24.003 8.946 ( 7.781 -9.377 -9.438) 15.412 9.380 ( 3.640 7.183 1.648) 8.220 9.530 ( 6.274 8.856 0.899) 10.890 11.195 ( -5.770 -8.518 2.878) 10.683 12.116 ( 1.656 -7.389 -4.137) 8.629 12.369 ( -0.603 9.164 3.174) 9.717 15.153 ( -20.984 -0.621 -0.480) 20.998 15.539 ( 6.147 1.585 0.938) 6.417 15.634 ( 17.430 -0.453 -0.420) 17.440 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.226 ( -9.798 2.675 6.625) 12.126 4.691 ( 3.462 -3.781 -8.864) 10.240 5.176 ( -14.716 3.316 -1.427) 15.152 5.369 ( 4.527 9.168 2.537) 10.535 5.865 ( -16.573 0.449 11.823) 20.363 6.678 ( -7.596 -15.223 -1.401) 17.071 6.747 ( -7.703 0.143 -10.134) 12.730 7.155 ( 1.613 9.728 3.458) 10.450 7.287 ( 11.377 0.034 11.410) 16.113 8.935 ( 9.029 -13.210 -13.013) 20.624 9.498 ( 1.097 9.607 -1.410) 9.772 9.658 ( 3.283 -2.262 -3.098) 5.049 11.145 ( 3.289 0.415 5.126) 6.104 11.956 ( -2.452 -15.004 -3.060) 15.508 12.536 ( 4.363 11.585 2.947) 12.725 14.780 ( -19.019 -5.232 -0.810) 19.742 15.599 ( 7.309 -6.660 0.973) 9.936 16.035 ( 17.473 14.559 0.598) 22.751 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.516 ( -0.000 7.221 0.969) 7.286 3.741 ( 0.000 9.081 11.231) 14.443 4.738 ( -0.000 3.471 -9.938) 10.527 4.771 ( -0.000 9.246 -2.978) 9.713 5.219 ( 0.000 -35.613 20.378) 41.031 6.279 ( 0.000 -5.627 1.400) 5.798 6.366 ( -0.000 3.410 0.691) 3.479 7.431 ( -0.000 8.965 1.074) 9.029 8.308 ( -0.000 21.184 -7.243) 22.388 9.153 ( -0.000 12.736 -5.577) 13.903 9.672 ( 0.000 6.401 2.524) 6.880 10.263 ( -0.000 -5.255 -13.919) 14.878 11.200 ( 0.000 -11.227 -2.728) 11.554 12.340 ( -0.000 -10.872 -5.312) 12.100 12.416 ( 0.000 -7.728 9.949) 12.597 13.873 ( 0.000 0.615 0.865) 1.062 15.911 ( 0.000 -9.764 -2.040) 9.975 16.842 ( 0.000 -0.346 6.079) 6.089 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.697 ( 11.889 6.223 0.180) 13.420 3.909 ( 7.944 6.496 11.984) 15.777 4.715 ( -1.844 2.821 -3.703) 5.007 4.946 ( 9.975 -3.040 4.997) 11.564 5.028 ( 9.316 -21.356 12.086) 26.247 6.253 ( 2.041 -4.007 2.624) 5.206 6.412 ( 3.110 0.206 -0.816) 3.222 7.532 ( 0.684 9.273 0.379) 9.306 8.422 ( -5.735 16.728 -6.926) 18.991 9.222 ( -3.513 11.452 -6.364) 13.564 9.628 ( -11.900 3.846 -3.455) 12.975 10.003 ( -16.385 -3.960 -9.521) 19.360 11.272 ( 16.723 -6.153 -2.593) 18.007 12.192 ( -3.001 -9.668 -6.842) 12.219 12.359 ( -3.232 -6.143 12.736) 14.505 13.972 ( 10.191 1.958 0.395) 10.385 15.812 ( -1.043 -8.701 -1.593) 8.906 16.788 ( -7.462 -1.797 4.934) 9.125 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.922 ( 8.694 3.703 1.174) 9.522 4.262 ( 22.365 4.190 7.728) 24.030 4.705 ( -0.413 -1.470 7.129) 7.291 4.957 ( 12.036 -17.563 13.122) 25.010 5.333 ( 22.665 4.814 -0.305) 23.173 6.264 ( 2.258 -4.221 0.095) 4.788 6.463 ( 3.207 -0.305 -1.421) 3.521 7.614 ( -0.151 6.080 -0.272) 6.088 8.380 ( -12.615 10.349 -6.411) 17.531 9.158 ( -13.177 1.892 -6.589) 14.854 9.398 ( -12.785 9.479 -10.739) 19.200 9.716 ( -13.818 -0.839 1.018) 13.881 11.523 ( 16.348 0.238 -2.857) 16.598 12.014 ( -4.386 -10.069 -7.774) 13.455 12.299 ( -2.090 -4.508 12.947) 13.868 14.232 ( 16.406 4.881 -0.024) 17.117 15.691 ( -2.963 -8.825 -0.778) 9.342 16.600 ( -14.103 -2.455 3.207) 14.670 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.091 ( 9.289 0.629 0.159) 9.311 4.580 ( 4.006 5.456 -1.845) 7.016 4.777 ( 12.625 -11.885 23.428) 29.146 5.192 ( 24.679 -2.283 3.628) 25.048 5.796 ( 26.428 4.579 1.964) 26.893 6.222 ( -1.170 -4.586 -5.877) 7.546 6.474 ( -0.892 -0.534 -3.739) 3.881 7.622 ( -3.725 0.926 -0.840) 3.929 8.156 ( -19.789 3.938 -6.820) 21.298 8.908 ( -10.625 1.446 0.243) 10.725 9.336 ( -8.734 11.723 -2.074) 14.766 9.516 ( -8.415 0.048 -3.202) 9.003 11.730 ( 0.387 -5.174 2.819) 5.905 11.837 ( 2.700 1.302 -10.921) 11.325 12.299 ( 2.589 -4.946 8.537) 10.201 14.585 ( 18.978 6.652 -0.338) 20.113 15.550 ( -3.562 -8.010 0.020) 8.767 16.306 ( -19.154 -2.344 1.536) 19.358 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.245 ( 10.167 -1.601 -2.479) 10.587 4.601 ( -5.059 5.571 2.756) 8.014 4.971 ( 13.497 -9.632 19.880) 25.887 5.562 ( 15.257 -4.836 -9.750) 18.741 6.136 ( 10.178 -7.876 -6.013) 14.205 6.309 ( 20.302 9.892 3.544) 22.860 6.438 ( -1.010 3.932 -0.362) 4.076 7.471 ( -10.618 -6.267 -2.816) 12.647 7.773 ( -24.375 -1.313 -7.530) 25.545 8.885 ( -1.523 5.376 10.101) 11.544 9.266 ( -5.254 1.956 6.023) 8.228 9.471 ( -0.806 9.217 -9.332) 13.141 11.491 ( -9.817 -11.357 -4.242) 15.600 12.022 ( 4.651 10.683 1.333) 11.728 12.321 ( 4.239 -5.802 1.106) 7.270 14.958 ( 19.925 1.324 -0.310) 19.971 15.451 ( -1.730 -0.839 0.381) 1.960 15.947 ( -21.996 -1.052 0.310) 22.023 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.366 ( 7.792 -3.256 -4.796) 9.712 4.570 ( -5.335 4.690 5.401) 8.923 5.170 ( 10.486 -2.508 14.887) 18.381 5.485 ( -5.051 -5.129 -17.290) 18.729 6.183 ( 4.525 -11.839 -5.316) 13.744 6.649 ( 15.261 9.645 10.401) 20.835 6.755 ( 17.537 6.032 6.870) 19.776 7.173 ( -12.247 -8.446 -6.800) 16.357 7.306 ( -24.120 -3.020 -8.791) 25.849 8.869 ( -6.389 -1.238 5.707) 8.655 9.356 ( 7.390 5.730 5.336) 10.766 9.553 ( 1.567 9.067 -2.717) 9.594 11.229 ( -7.541 -7.632 -4.002) 11.451 12.081 ( -4.350 -3.621 2.819) 6.323 12.394 ( 6.337 5.357 -1.733) 8.477 15.147 ( 9.958 -18.914 0.646) 21.385 15.549 ( -1.360 6.945 -1.188) 7.176 15.629 ( -9.385 14.663 0.506) 17.416 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.366 ( -2.469 -4.276 -0.000) 4.938 4.591 ( 1.815 3.144 0.000) 3.630 5.321 ( -2.511 -4.350 -0.000) 5.023 5.374 ( 5.127 8.881 0.000) 10.255 6.076 ( -4.277 -7.407 0.000) 8.553 6.698 ( -13.009 -22.532 0.000) 26.018 6.726 ( -8.161 -14.136 -0.000) 16.323 7.176 ( 7.029 12.174 -0.000) 14.058 7.232 ( 11.387 19.722 -0.000) 22.773 8.756 ( -3.183 -5.513 -0.000) 6.365 9.538 ( 4.447 7.703 0.000) 8.895 9.614 ( -0.785 -1.360 -0.000) 1.570 11.133 ( 1.327 2.299 0.000) 2.654 11.889 ( -7.499 -12.988 -0.000) 14.998 12.565 ( 5.080 8.798 -0.000) 10.160 14.946 ( -10.198 -17.663 -0.000) 20.396 15.470 ( 0.846 1.465 0.000) 1.692 15.964 ( 12.034 20.843 -0.000) 24.068 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( 0.000 3.472 1.221) 3.680 3.954 ( 0.000 3.858 14.235) 14.749 4.696 ( 0.000 -19.441 18.377) 26.752 4.790 ( 0.000 -5.351 0.609) 5.385 4.898 ( -0.000 5.882 -2.436) 6.367 6.203 ( 0.000 -3.495 2.261) 4.163 6.388 ( 0.000 0.124 0.263) 0.290 7.611 ( -0.000 7.589 -0.799) 7.631 8.592 ( -0.000 12.961 -7.645) 15.048 9.322 ( -0.000 8.831 -10.243) 13.524 9.755 ( -0.000 1.927 -2.148) 2.886 10.108 ( -0.000 -0.343 -12.180) 12.185 11.039 ( 0.000 -4.738 1.189) 4.885 12.123 ( -0.000 -6.958 -6.877) 9.783 12.380 ( 0.000 -4.551 13.143) 13.908 13.884 ( 0.000 0.099 0.173) 0.199 15.760 ( 0.000 -4.661 -0.940) 4.755 16.844 ( 0.000 -2.615 3.965) 4.750 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( 11.469 1.009 -0.144) 11.514 4.076 ( 7.836 0.587 15.410) 17.298 4.597 ( 5.349 -19.847 21.434) 29.697 4.812 ( 0.772 4.283 0.010) 4.352 5.061 ( 14.125 4.362 -0.884) 14.810 6.192 ( 1.036 -3.211 0.531) 3.416 6.417 ( 2.733 0.696 1.072) 3.017 7.660 ( -0.086 3.449 -1.714) 3.853 8.607 ( -6.954 7.122 -7.696) 12.582 9.305 ( -5.789 2.613 -12.818) 14.305 9.639 ( -11.395 3.198 -8.821) 14.760 9.968 ( -12.616 3.401 -0.353) 13.071 11.197 ( 18.308 -0.419 -0.965) 18.338 11.998 ( -4.992 -5.647 -6.924) 10.235 12.361 ( -3.065 -2.638 13.163) 13.770 13.998 ( 12.887 0.538 -0.142) 12.899 15.698 ( -3.333 -2.417 -0.120) 4.119 16.765 ( -7.505 -2.762 2.574) 8.401 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.933 ( 9.198 -2.043 -0.699) 9.448 4.366 ( 20.012 -2.212 14.236) 24.658 4.646 ( 8.389 -7.946 15.533) 19.359 4.890 ( 6.319 0.700 3.521) 7.268 5.421 ( 23.099 3.722 2.598) 23.541 6.158 ( -0.069 -4.071 -5.064) 6.498 6.470 ( 1.242 1.137 -0.542) 1.769 7.658 ( -1.215 -1.045 -2.041) 2.595 8.445 ( -14.211 1.080 -7.681) 16.190 9.091 ( -11.797 -1.030 -8.717) 14.704 9.535 ( -4.404 8.829 -10.670) 14.533 9.768 ( -17.630 3.955 8.621) 20.019 11.532 ( 19.244 1.754 -2.189) 19.448 11.818 ( -6.511 -3.685 -9.896) 12.406 12.327 ( -3.827 -1.200 12.609) 13.232 14.280 ( 19.581 -0.070 -0.350) 19.584 15.608 ( -5.874 0.528 0.406) 5.912 16.567 ( -14.045 -2.163 1.320) 14.272 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.050 ( 9.190 -3.642 -1.831) 10.054 4.686 ( 14.175 -1.327 11.020) 18.004 4.752 ( 1.958 0.305 13.259) 13.406 5.116 ( 22.625 -7.935 0.193) 23.977 5.827 ( 18.209 -4.471 2.742) 18.950 6.132 ( 7.256 2.581 -8.035) 11.130 6.477 ( -0.344 2.975 -2.132) 3.676 7.548 ( -7.312 -7.147 -4.431) 11.144 8.112 ( -20.942 -3.334 -8.691) 22.918 8.989 ( -0.439 5.256 3.982) 6.609 9.493 ( -10.841 -1.910 2.145) 11.215 9.581 ( -9.127 13.961 0.445) 16.686 11.531 ( -8.840 -8.036 -5.980) 13.360 11.947 ( 16.906 9.265 -7.936) 20.848 12.286 ( -4.740 -1.727 10.312) 11.480 14.592 ( 19.735 -5.589 -0.100) 20.511 15.551 ( -4.320 7.310 0.010) 8.491 16.282 ( -18.695 -0.422 0.607) 18.709 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.156 ( 9.544 -4.966 -4.332) 11.598 4.741 ( -6.095 4.176 7.373) 10.438 4.977 ( 15.682 -4.127 14.582) 21.809 5.315 ( 11.097 -9.655 -10.624) 18.145 5.881 ( 7.907 -11.869 -8.067) 16.385 6.473 ( 20.149 3.742 2.673) 20.667 6.599 ( 9.442 9.424 6.306) 14.756 7.262 ( -11.785 -11.177 -8.295) 18.238 7.658 ( -24.201 -4.453 -10.526) 26.764 9.101 ( -7.305 7.525 14.140) 17.605 9.321 ( -0.585 0.679 5.121) 5.199 9.630 ( -1.670 10.097 -1.330) 10.321 11.281 ( -9.122 -5.129 -8.065) 13.212 12.178 ( -6.575 -6.839 5.288) 10.861 12.278 ( 11.692 11.996 -3.634) 17.141 14.779 ( 13.891 -14.628 0.840) 20.191 15.629 ( 0.898 12.207 -1.895) 12.386 15.986 ( -17.857 6.762 0.851) 19.113 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 0.000 -0.802 1.307) 1.533 4.049 ( 0.000 -4.805 15.879) 16.590 4.454 ( 0.000 -13.339 20.374) 24.352 4.889 ( 0.000 9.199 4.191) 10.108 4.961 ( -0.000 2.029 -1.519) 2.535 6.179 ( 0.000 -0.678 2.701) 2.785 6.399 ( 0.000 0.450 1.404) 1.475 7.665 ( -0.000 -1.115 -2.684) 2.906 8.682 ( -0.000 1.729 -8.447) 8.622 9.324 ( -0.000 0.972 -15.283) 15.313 9.720 ( -0.000 -2.308 -6.338) 6.746 10.122 ( -0.000 8.380 -8.578) 11.992 11.036 ( 0.000 2.136 4.678) 5.142 11.988 ( -0.000 -2.688 -5.565) 6.180 12.417 ( 0.000 -0.298 12.474) 12.478 13.879 ( -0.000 -0.457 -0.391) 0.602 15.723 ( 0.000 0.819 0.443) 0.931 16.809 ( 0.000 -2.587 1.758) 3.128 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( 9.724 -3.130 -0.541) 10.230 4.108 ( 9.613 -8.460 16.001) 20.494 4.487 ( 6.610 -3.868 16.341) 18.047 4.926 ( -1.994 3.916 2.964) 5.301 5.156 ( 14.576 5.657 5.215) 16.482 6.153 ( -3.303 -0.606 -0.423) 3.384 6.443 ( 3.110 0.588 1.423) 3.470 7.628 ( 0.335 -5.044 -2.638) 5.702 8.583 ( -7.151 -3.893 -8.653) 11.881 9.204 ( -7.718 -2.088 -13.519) 15.706 9.620 ( -4.271 0.012 -8.520) 9.531 10.098 ( -10.380 9.637 -0.497) 14.173 11.237 ( 16.232 4.423 0.759) 16.841 11.892 ( -7.065 -0.729 -6.217) 9.439 12.437 ( -3.292 1.971 11.989) 12.588 13.989 ( 13.158 -1.166 -0.490) 13.218 15.713 ( -3.522 3.354 0.437) 4.883 16.731 ( -7.347 -1.710 1.253) 7.647 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.857 ( 8.890 -4.912 -1.822) 10.319 4.323 ( 21.272 -12.818 13.825) 28.424 4.699 ( 12.079 5.090 9.869) 16.408 4.933 ( -1.174 0.569 3.343) 3.589 5.513 ( 18.885 1.651 8.875) 20.931 6.077 ( -2.386 0.401 -6.632) 7.060 6.485 ( 1.346 0.702 -0.722) 1.681 7.542 ( -3.020 -9.044 -3.471) 10.147 8.320 ( -13.988 -8.020 -9.208) 18.568 9.043 ( -3.166 0.877 -4.519) 5.587 9.551 ( -2.200 -0.211 -6.054) 6.445 9.983 ( -16.028 11.745 6.265) 20.834 11.533 ( 7.821 -0.400 -0.980) 7.893 11.767 ( 0.977 5.520 -11.166) 12.494 12.431 ( -5.480 3.969 11.132) 13.027 14.230 ( 17.410 -4.492 -0.152) 17.981 15.694 ( -3.990 7.148 -0.734) 8.219 16.552 ( -13.447 0.287 1.410) 13.524 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.938 ( 8.693 -6.498 -2.738) 11.193 4.590 ( 22.389 -18.925 8.053) 30.401 4.880 ( -3.519 2.320 6.021) 7.350 5.039 ( 13.792 6.623 0.710) 15.316 5.700 ( 2.973 -7.799 1.072) 8.415 6.189 ( 16.524 4.740 -3.048) 17.459 6.565 ( 6.490 6.104 3.000) 9.401 7.291 ( -10.466 -15.108 -7.466) 19.837 7.918 ( -19.346 -9.830 -10.892) 24.280 9.142 ( 8.995 6.877 5.006) 12.380 9.455 ( -7.410 -3.613 2.691) 8.672 9.876 ( -13.424 13.854 6.832) 20.465 11.396 ( -11.369 -1.030 -6.865) 13.320 12.005 ( 14.454 2.819 -7.825) 16.676 12.413 ( -6.188 8.085 8.260) 13.110 14.429 ( 14.149 -10.202 0.725) 17.458 15.730 ( -0.991 9.534 -3.258) 10.124 16.332 ( -15.733 5.942 2.233) 16.966 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.608 ( 0.000 -5.504 0.463) 5.524 3.986 ( 0.000 -12.290 14.598) 19.083 4.489 ( 0.000 5.219 13.481) 14.456 4.954 ( 0.000 -2.218 -0.263) 2.233 5.147 ( 0.000 10.469 12.009) 15.931 6.215 ( 0.000 2.570 2.866) 3.850 6.408 ( 0.000 -1.243 1.306) 1.802 7.548 ( -0.000 -8.069 -2.537) 8.459 8.549 ( -0.000 -8.965 -9.293) 12.913 9.204 ( -0.000 -2.699 -13.741) 14.004 9.600 ( -0.000 -4.902 -7.605) 9.048 10.266 ( -0.000 11.992 -9.277) 15.162 11.166 ( 0.000 7.507 5.524) 9.320 11.950 ( -0.000 2.039 -3.873) 4.377 12.538 ( 0.000 4.740 11.045) 12.019 13.862 ( -0.000 -0.961 -0.696) 1.186 15.779 ( -0.000 4.157 -0.283) 4.166 16.786 ( 0.000 -0.558 1.792) 1.877 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 9.567 -7.332 -1.802) 12.187 3.964 ( 8.786 -16.782 13.398) 23.202 4.669 ( 5.942 13.689 8.707) 17.277 4.941 ( 1.257 -3.291 1.071) 3.682 5.348 ( 8.793 5.423 13.304) 16.844 6.170 ( -7.537 2.475 -0.288) 7.938 6.436 ( 3.538 -2.376 1.025) 4.383 7.466 ( -0.099 -9.044 -1.920) 9.246 8.359 ( -6.529 -12.414 -9.570) 16.980 9.079 ( -4.465 -2.644 -9.206) 10.568 9.529 ( 0.159 -3.963 -6.339) 7.478 10.298 ( -6.925 12.256 -4.200) 14.690 11.365 ( 11.054 7.803 1.565) 13.621 11.893 ( -8.236 4.872 -4.905) 10.753 12.597 ( -3.704 6.981 10.200) 12.903 13.952 ( 11.335 -2.252 -0.434) 11.564 15.798 ( -1.975 4.925 -2.213) 5.750 16.739 ( -6.961 1.673 3.120) 7.809 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( 9.235 -8.531 -2.626) 12.844 4.043 ( 18.737 -23.495 7.370) 30.942 4.921 ( -0.012 -3.815 2.398) 4.506 4.982 ( 9.333 18.835 3.315) 21.280 5.575 ( 9.300 -3.577 12.973) 16.358 6.080 ( -1.983 2.501 -5.915) 6.721 6.504 ( 6.551 1.456 4.000) 7.813 7.285 ( -8.552 -13.762 -5.640) 17.156 8.035 ( -13.098 -13.892 -10.926) 21.999 9.066 ( 6.206 2.692 0.331) 6.773 9.477 ( -0.669 -4.229 -1.689) 4.602 10.258 ( -11.859 13.100 2.976) 17.920 11.540 ( -2.748 3.067 -2.232) 4.684 11.850 ( 3.245 9.245 -7.851) 12.556 12.624 ( -5.791 9.098 8.625) 13.810 14.128 ( 12.947 -5.867 0.387) 14.219 15.807 ( -1.161 5.131 -5.110) 7.334 16.629 ( -11.458 6.374 4.608) 13.898 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( 0.000 -10.812 -1.635) 10.935 3.772 ( 0.000 -19.115 11.229) 22.169 4.813 ( -0.000 21.216 5.143) 21.830 4.875 ( 0.000 -6.181 1.052) 6.270 5.366 ( 0.000 0.820 12.689) 12.715 6.312 ( 0.000 5.381 2.862) 6.095 6.342 ( 0.000 -6.799 3.198) 7.514 7.387 ( 0.000 -6.579 -0.626) 6.609 8.248 ( -0.000 -14.589 -9.565) 17.445 9.053 ( -0.000 -4.474 -9.598) 10.590 9.447 ( -0.000 -5.993 -6.221) 8.638 10.438 ( -0.000 12.400 -9.992) 15.925 11.380 ( 0.000 11.051 4.150) 11.804 12.017 ( -0.000 7.132 -2.366) 7.514 12.743 ( 0.000 9.528 9.226) 13.263 13.836 ( -0.000 -1.208 -0.609) 1.353 15.837 ( -0.000 2.472 -4.601) 5.223 16.836 ( 0.000 3.880 5.618) 6.828 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.423 ( 10.838 -13.334 -4.086) 17.662 3.647 ( 5.392 -23.576 8.223) 25.544 4.839 ( 2.584 -7.840 1.337) 8.362 5.091 ( 4.704 25.389 1.429) 25.861 5.418 ( 6.823 -8.985 9.737) 14.903 6.197 ( -8.933 -1.974 2.678) 9.532 6.430 ( 5.104 2.040 6.445) 8.471 7.280 ( -5.678 -8.947 -3.953) 11.310 8.028 ( -6.737 -13.507 -9.982) 18.096 8.995 ( 2.578 -1.381 -3.435) 4.511 9.401 ( 2.713 -5.392 -3.520) 6.987 10.497 ( -3.513 11.825 -5.899) 13.673 11.546 ( 4.544 10.039 0.813) 11.049 12.013 ( -8.059 10.379 -3.129) 13.508 12.833 ( -4.260 11.166 8.048) 14.408 13.904 ( 8.760 -2.456 -0.031) 9.098 15.826 ( -0.312 0.461 -7.298) 7.319 16.859 ( -5.887 7.344 7.688) 12.153 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 0.000 -17.126 -4.785) 17.782 3.396 ( 0.000 -26.010 4.953) 26.478 4.738 ( 0.000 -8.984 2.183) 9.246 5.173 ( 0.000 -17.070 4.400) 17.628 5.370 ( -0.000 23.569 -1.968) 23.652 6.261 ( 0.000 -7.690 15.347) 17.166 6.449 ( 0.000 6.750 2.453) 7.182 7.240 ( -0.000 -9.150 -5.755) 10.810 7.959 ( -0.000 -6.333 -8.575) 10.660 8.936 ( -0.000 -2.182 -3.207) 3.879 9.302 ( -0.000 -5.535 -3.070) 6.330 10.600 ( -0.000 10.606 -8.211) 13.413 11.628 ( -0.000 12.534 1.458) 12.619 12.189 ( -0.000 12.144 -1.409) 12.225 13.015 ( 0.000 12.977 6.897) 14.696 13.812 ( 0.000 -0.997 -0.002) 0.997 15.784 ( -0.000 -3.400 -9.281) 9.885 17.014 ( 0.000 8.783 10.294) 13.532 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 -0.000 35.810) 35.810 1.139 ( 0.000 -0.000 35.810) 35.810 1.848 ( 0.000 -0.000 60.008) 60.008 3.959 ( -0.000 0.000 -7.091) 7.091 3.959 ( -0.000 0.000 -7.091) 7.091 6.781 ( -0.000 0.000 -17.269) 17.269 6.852 ( -0.000 0.000 -0.049) 0.049 6.852 ( -0.000 0.000 -0.049) 0.049 9.037 ( -0.000 0.000 -2.577) 2.577 9.037 ( -0.000 0.000 -2.577) 2.577 10.414 ( -0.000 0.000 -8.551) 8.551 11.969 ( 0.000 -0.000 11.639) 11.639 12.441 ( 0.000 -0.000 2.424) 2.424 12.441 ( 0.000 -0.000 2.424) 2.424 13.813 ( -0.000 0.000 -1.095) 1.095 13.813 ( -0.000 0.000 -1.095) 1.095 14.089 ( -0.000 0.000 -0.862) 0.862 17.247 ( -0.000 0.000 -1.287) 1.287 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 9.467 5.465 29.241) 31.217 1.486 ( 8.094 4.673 37.325) 38.478 2.461 ( 36.035 20.805 42.648) 59.583 4.027 ( 5.898 3.405 -6.261) 9.251 4.094 ( 15.906 9.183 -8.113) 20.078 6.694 ( -1.891 -1.092 -17.935) 18.067 6.829 ( -1.822 -1.052 -0.218) 2.115 6.857 ( -0.147 -0.085 -3.836) 3.840 8.640 ( -31.813 -18.367 2.425) 36.814 9.086 ( 3.300 1.905 -1.775) 4.203 10.436 ( 0.776 0.448 -7.984) 8.034 10.858 ( -38.426 -22.185 30.286) 53.721 12.352 ( -6.404 -3.697 1.488) 7.543 13.153 ( 8.905 5.141 -14.702) 17.941 13.711 ( -6.870 -3.967 -2.954) 8.465 13.837 ( 1.179 0.681 -0.515) 1.456 14.621 ( 35.822 20.682 0.568) 41.367 17.309 ( 6.286 3.629 -8.710) 11.338 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 19.899 11.489 18.516) 29.509 1.838 ( 14.529 8.388 30.271) 34.609 3.482 ( 43.208 24.946 23.319) 55.073 4.167 ( 8.187 4.727 -5.467) 10.921 4.546 ( 25.333 14.626 -5.886) 29.839 6.591 ( -1.891 -1.091 -16.021) 16.170 6.772 ( -3.079 -1.778 -0.518) 3.593 6.827 ( -0.341 -0.197 -6.954) 6.965 7.901 ( -32.260 -18.625 6.554) 37.823 9.167 ( 4.246 2.452 -0.358) 4.916 10.181 ( -18.626 -10.753 13.435) 25.359 10.580 ( -3.520 -2.032 -4.222) 5.861 12.177 ( -9.485 -5.476 0.150) 10.953 13.070 ( -8.769 -5.063 -5.511) 11.528 13.520 ( -8.119 -4.687 -6.866) 11.620 13.859 ( 0.770 0.445 0.153) 0.902 15.244 ( 18.543 10.706 10.139) 23.691 17.419 ( 6.093 3.518 -13.332) 15.074 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 22.208 12.822 11.525) 28.114 2.324 ( 21.415 12.364 19.749) 31.646 4.339 ( 8.686 5.015 -4.933) 11.177 4.413 ( 34.950 20.178 -0.609) 40.361 5.114 ( 25.476 14.709 7.183) 30.282 6.543 ( 2.526 1.458 -8.683) 9.160 6.692 ( -3.906 -2.255 -0.869) 4.593 6.822 ( 2.545 1.470 -8.888) 9.362 7.341 ( -19.610 -11.322 5.951) 23.412 9.265 ( 4.324 2.496 1.574) 5.235 9.831 ( -17.395 -10.043 13.213) 24.042 10.398 ( -10.990 -6.345 -13.904) 18.825 11.946 ( -10.862 -6.271 -1.401) 12.620 12.812 ( -12.756 -7.365 0.645) 14.743 13.331 ( -6.637 -3.832 -7.822) 10.950 13.871 ( 0.260 0.150 0.681) 0.744 15.562 ( 7.777 4.490 13.191) 15.958 17.467 ( 1.722 0.994 -10.973) 11.152 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 20.713 11.959 7.382) 25.031 2.890 ( 24.745 14.287 11.219) 30.697 4.506 ( 7.712 4.453 -4.545) 9.998 4.945 ( 17.623 10.174 -18.827) 27.723 5.697 ( 20.431 11.796 20.759) 31.425 6.597 ( -4.283 -2.473 -1.219) 5.094 6.668 ( 9.373 5.411 -3.090) 11.255 6.807 ( -3.200 -1.847 -8.813) 9.557 7.178 ( 6.143 3.547 6.309) 9.493 9.362 ( 3.477 2.008 3.739) 5.486 9.488 ( -17.316 -9.997 9.717) 22.231 10.016 ( -18.052 -10.422 -15.240) 25.822 11.701 ( -10.406 -6.008 -2.965) 12.376 12.543 ( -11.727 -6.770 2.579) 13.784 13.173 ( -5.605 -3.236 -6.410) 9.109 13.876 ( -0.100 -0.058 0.960) 0.967 15.708 ( 2.380 1.374 10.588) 10.938 17.421 ( -3.041 -1.756 -7.005) 7.836 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 17.103 9.874 4.542) 20.264 3.475 ( 25.539 14.745 4.611) 29.848 4.644 ( 5.988 3.457 -3.831) 7.905 5.185 ( 10.543 6.087 -15.179) 19.458 6.012 ( 3.651 2.108 6.112) 7.425 6.499 ( -4.170 -2.408 -1.607) 5.077 6.596 ( -7.297 -4.213 -0.637) 8.450 7.068 ( 20.237 11.684 3.814) 23.677 7.480 ( 15.215 8.785 2.219) 17.709 9.132 ( -15.594 -9.003 -0.223) 18.008 9.439 ( 1.990 1.149 5.666) 6.114 9.578 ( -17.129 -9.889 -1.816) 19.862 11.479 ( -8.396 -4.848 -4.257) 10.589 12.318 ( -9.337 -5.391 2.299) 11.024 13.037 ( -5.065 -2.924 -5.418) 7.972 13.875 ( -0.218 -0.126 0.996) 1.028 15.755 ( -0.312 -0.180 6.354) 6.364 17.297 ( -6.244 -3.605 -3.880) 8.188 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( 11.866 6.851 1.974) 13.844 4.040 ( 24.909 14.381 -0.963) 28.779 4.748 ( 4.454 2.571 -2.218) 5.601 5.283 ( 1.847 1.066 -19.017) 19.137 5.987 ( -5.267 -3.041 -0.191) 6.084 6.406 ( -3.544 -2.046 -2.161) 4.628 6.463 ( -4.503 -2.600 -2.202) 5.647 7.459 ( 9.938 5.738 3.442) 11.980 7.789 ( 13.629 7.869 1.906) 15.852 8.876 ( -6.023 -3.478 -1.952) 7.224 9.309 ( -8.473 -4.892 16.713) 19.366 9.486 ( 0.381 0.220 6.918) 6.932 11.310 ( -5.386 -3.110 -4.999) 7.979 12.145 ( -6.866 -3.964 1.113) 8.006 12.913 ( -4.403 -2.542 -5.666) 7.612 13.873 ( -0.214 -0.124 0.874) 0.908 15.751 ( -1.058 -0.611 2.529) 2.808 17.135 ( -7.182 -4.147 -2.088) 8.552 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 5.414 3.126 -0.476) 6.269 4.558 ( 22.730 13.123 -7.163) 27.206 4.832 ( 3.559 2.055 0.169) 4.113 5.120 ( -9.064 -5.233 -22.177) 24.523 5.737 ( -15.921 -9.192 -15.706) 24.180 6.331 ( -2.403 -1.387 -2.915) 4.025 6.410 ( 0.408 0.236 -0.302) 0.560 7.562 ( 2.593 1.497 -1.052) 3.174 8.111 ( 11.782 6.802 11.343) 17.713 8.802 ( -2.774 -1.602 6.629) 7.363 9.337 ( 3.995 2.307 24.300) 24.734 9.502 ( -0.974 -0.562 7.358) 7.443 11.212 ( -1.863 -1.076 -5.119) 5.553 12.023 ( -4.306 -2.486 -0.293) 4.980 12.808 ( -3.089 -1.783 -6.859) 7.731 13.871 ( -0.291 -0.168 0.698) 0.774 15.737 ( -0.352 -0.203 0.034) 0.408 16.981 ( -5.889 -3.400 -1.554) 6.975 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( -1.009 -0.583 -1.788) 2.135 4.727 ( -11.525 -6.654 -25.093) 28.403 4.903 ( 2.284 1.319 1.931) 3.269 5.048 ( 15.921 9.192 -7.043) 19.687 5.265 ( -17.011 -9.821 -26.151) 32.706 6.285 ( -0.631 -0.365 -3.606) 3.679 6.439 ( 1.379 0.796 -0.269) 1.615 7.592 ( -0.823 -0.475 0.799) 1.242 8.331 ( 3.445 1.989 12.707) 13.315 8.805 ( 0.515 0.297 14.289) 14.302 9.492 ( -2.114 -1.220 7.110) 7.517 9.581 ( 9.642 5.567 25.486) 27.812 11.196 ( 1.906 1.100 -4.740) 5.226 11.954 ( -1.594 -0.920 -1.578) 2.425 12.740 ( -0.627 -0.362 -8.159) 8.192 13.864 ( -0.527 -0.304 0.530) 0.808 15.742 ( 0.870 0.502 -0.658) 1.201 16.876 ( -2.845 -1.642 -2.184) 3.944 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.625 ( -6.308 -3.642 -1.152) 7.375 4.334 ( -16.163 -9.332 -18.206) 26.072 4.883 ( -6.090 -3.516 -23.950) 24.961 4.931 ( -0.592 -0.342 1.842) 1.965 5.372 ( 12.327 7.117 -10.286) 17.562 6.285 ( 1.845 1.065 -3.772) 4.332 6.448 ( -0.352 -0.203 -2.618) 2.650 7.517 ( -5.619 -3.244 0.313) 6.496 8.326 ( -7.032 -4.060 11.675) 14.221 8.897 ( 1.829 1.056 15.553) 15.696 9.456 ( -3.248 -1.875 6.285) 7.319 9.919 ( 13.261 7.656 24.195) 28.634 11.265 ( 5.647 3.260 -3.968) 7.633 11.945 ( 1.463 0.845 -2.258) 2.820 12.737 ( 3.173 1.832 -8.594) 9.343 13.850 ( -0.808 -0.466 0.382) 1.008 15.767 ( 1.278 0.738 0.747) 1.653 16.847 ( 1.169 0.675 -3.984) 4.206 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( -10.687 -6.170 1.191) 12.397 3.890 ( -19.564 -11.295 -11.807) 25.490 4.879 ( -4.480 -2.586 0.139) 5.174 4.894 ( 12.557 7.250 -10.800) 18.080 5.478 ( -1.052 -0.607 -10.018) 10.091 6.343 ( 4.368 2.522 -3.267) 6.010 6.397 ( -2.857 -1.650 -7.629) 8.312 7.380 ( -6.387 -3.687 0.929) 7.433 8.142 ( -11.811 -6.819 11.334) 17.733 8.950 ( -1.059 -0.611 10.826) 10.895 9.391 ( -4.280 -2.471 4.911) 6.967 10.297 ( 13.636 7.873 17.942) 23.871 11.415 ( 8.836 5.102 -2.846) 10.593 12.013 ( 5.499 3.175 -1.302) 6.482 12.829 ( 7.593 4.384 -7.890) 11.794 13.832 ( -0.950 -0.548 0.222) 1.119 15.792 ( -0.050 -0.029 4.243) 4.244 16.899 ( 5.069 2.926 -6.848) 9.008 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 0.000 21.039 28.563) 35.475 1.722 ( 0.000 23.042 28.567) 36.702 2.447 ( 0.000 19.413 47.928) 51.710 3.903 ( -0.000 2.518 -9.282) 9.618 4.170 ( -0.000 23.129 -5.881) 23.865 6.639 ( -0.000 -0.342 -19.383) 19.386 6.835 ( 0.000 -1.966 -0.170) 1.974 6.846 ( -0.000 -0.412 -3.226) 3.252 8.883 ( -0.000 -11.597 -3.855) 12.221 9.000 ( -0.000 0.325 -2.404) 2.426 10.410 ( -0.000 1.199 -7.891) 7.981 10.781 ( 0.000 -62.591 31.588) 70.110 12.451 ( 0.000 -3.348 2.321) 4.074 13.081 ( -0.000 10.208 -12.364) 16.034 13.769 ( -0.000 -5.338 -2.776) 6.017 13.781 ( -0.000 -0.882 -1.067) 1.385 14.662 ( -0.000 48.673 -0.422) 48.675 17.220 ( -0.000 -3.056 -5.992) 6.726 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 2.563 30.209 20.429) 36.558 1.958 ( -2.425 17.777 31.082) 35.888 3.131 ( 33.705 23.559 27.055) 49.224 4.015 ( 11.029 4.485 -8.839) 14.829 4.468 ( 8.316 28.243 -2.883) 29.583 6.570 ( -1.586 2.471 -18.672) 18.901 6.790 ( -2.191 -3.187 -0.424) 3.891 6.818 ( -0.743 -1.155 -4.316) 4.529 8.374 ( -35.398 -11.514 1.296) 37.246 9.081 ( 5.698 -0.826 -1.527) 5.957 10.201 ( -3.914 -33.377 13.473) 36.206 10.551 ( 1.968 -4.893 0.227) 5.279 12.317 ( -9.746 -3.870 1.284) 10.564 13.075 ( -1.559 -4.980 -7.232) 8.918 13.592 ( -8.980 -7.139 -4.110) 12.186 13.810 ( 3.149 -1.838 -0.993) 3.778 15.229 ( 11.027 33.545 6.703) 35.942 17.230 ( 8.681 -5.000 -11.087) 14.943 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 5.417 28.495 16.365) 33.304 2.290 ( 10.320 19.463 23.061) 31.893 3.977 ( 33.952 16.616 3.791) 37.989 4.244 ( 12.541 9.107 -8.938) 17.892 4.961 ( 18.207 26.119 7.659) 32.747 6.527 ( -1.179 5.810 -14.791) 15.935 6.707 ( -2.732 -4.448 -0.471) 5.241 6.792 ( 0.656 0.226 -4.199) 4.256 7.713 ( -31.862 -6.539 5.307) 32.956 9.163 ( 6.646 -3.071 0.666) 7.351 9.898 ( -4.549 -24.541 10.740) 27.172 10.468 ( -7.449 -3.072 -10.931) 13.580 12.099 ( -12.060 -3.873 0.534) 12.678 12.904 ( -8.261 -9.561 -0.495) 12.645 13.358 ( -7.064 -7.992 -6.712) 12.603 13.843 ( 2.736 -1.005 -0.403) 2.942 15.622 ( 2.993 17.926 13.834) 22.840 17.299 ( 9.762 -6.313 -13.214) 17.600 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 11.233 24.810 12.427) 29.936 2.763 ( 14.915 20.758 14.269) 29.274 4.395 ( 10.486 5.567 -5.401) 13.043 4.654 ( 22.565 13.606 -18.418) 32.148 5.576 ( 20.805 20.294 20.169) 35.377 6.529 ( 0.704 -0.243 -9.485) 9.514 6.647 ( 0.350 1.322 -1.652) 2.144 6.839 ( 2.791 4.214 -1.819) 5.371 7.290 ( -16.041 0.845 6.421) 17.299 9.230 ( 6.026 -8.781 4.264) 11.472 9.642 ( -6.939 -13.770 4.917) 16.185 10.167 ( -16.415 -7.344 -15.063) 23.458 11.853 ( -13.393 -3.235 -0.163) 13.779 12.651 ( -10.347 -10.204 3.191) 14.878 13.174 ( -3.676 -7.479 -7.094) 10.944 13.877 ( 1.496 0.862 0.013) 1.727 15.794 ( -2.442 9.129 13.594) 16.556 17.319 ( 5.676 -8.517 -10.494) 14.659 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 9.790 24.161 7.191) 27.043 3.270 ( 19.649 17.344 8.713) 27.619 4.568 ( 6.997 5.132 -5.583) 10.319 5.009 ( 14.402 10.995 -17.545) 25.222 6.018 ( 5.558 9.336 9.720) 14.578 6.468 ( 0.340 -7.448 -0.803) 7.498 6.697 ( -4.127 -0.827 -0.572) 4.248 6.929 ( 8.925 13.225 2.476) 16.146 7.343 ( 10.691 8.336 5.333) 14.568 9.149 ( -3.524 -18.282 5.588) 19.440 9.468 ( -5.272 -2.567 -7.481) 9.505 9.777 ( -14.127 -6.410 -3.116) 15.823 11.603 ( -12.583 -2.798 -1.124) 12.939 12.408 ( -9.223 -8.795 3.727) 13.278 13.035 ( -2.558 -6.782 -6.368) 9.648 13.910 ( -0.164 3.598 0.242) 3.610 15.830 ( -4.556 3.583 9.612) 11.224 17.254 ( 1.158 -10.547 -6.810) 12.608 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( 5.780 20.633 3.965) 21.792 3.790 ( 21.791 14.955 2.251) 26.525 4.698 ( 5.288 4.690 -4.182) 8.212 5.229 ( 5.233 10.772 -16.850) 20.672 6.056 ( -4.939 0.940 -0.396) 5.043 6.407 ( -0.679 -5.568 0.580) 5.639 6.539 ( -9.099 -2.290 -2.074) 9.609 7.332 ( 15.436 9.023 8.866) 19.958 7.637 ( 13.159 6.872 1.119) 14.887 8.902 ( -5.566 -10.164 -1.019) 11.633 9.286 ( -4.167 -12.332 0.786) 13.040 9.660 ( -3.839 4.995 8.650) 10.701 11.391 ( -9.424 -1.567 -2.176) 9.798 12.201 ( -7.430 -8.097 3.008) 11.393 12.912 ( -2.465 -5.797 -6.458) 9.022 13.942 ( -2.091 6.814 0.368) 7.138 15.794 ( -4.197 -0.267 5.083) 6.597 17.123 ( -1.561 -11.477 -4.039) 12.267 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.709 ( 0.786 15.473 0.924) 15.520 4.271 ( 21.127 10.451 -4.434) 23.984 4.816 ( 4.348 6.230 -2.337) 7.948 5.233 ( -8.938 9.853 -19.673) 23.749 5.879 ( -14.446 -5.487 -11.249) 19.114 6.317 ( -3.470 -5.964 -1.298) 7.021 6.412 ( -1.000 -1.411 -0.494) 1.799 7.527 ( 3.526 2.421 -0.413) 4.297 7.969 ( 16.178 5.093 10.301) 19.843 8.834 ( 0.654 -1.601 6.141) 6.380 9.184 ( 4.981 -12.555 11.714) 17.878 9.705 ( -2.957 8.312 10.123) 13.428 11.256 ( -5.582 1.364 -2.839) 6.409 12.028 ( -4.584 -8.779 1.922) 10.088 12.800 ( -2.229 -4.597 -7.553) 9.119 13.971 ( -4.253 9.738 0.469) 10.637 15.737 ( -1.891 -2.616 1.488) 3.554 16.971 ( -1.982 -11.065 -2.474) 11.510 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( -4.313 9.800 -1.326) 10.789 4.590 ( 10.565 0.071 -12.983) 16.738 4.945 ( 2.730 5.900 -7.500) 9.926 5.094 ( -9.828 17.422 -7.422) 21.336 5.415 ( -21.807 -8.275 -26.624) 35.396 6.219 ( 0.115 -7.607 -1.536) 7.761 6.430 ( 1.752 0.466 1.416) 2.300 7.595 ( 1.677 1.528 1.293) 2.611 8.262 ( 10.600 -0.694 13.228) 16.965 8.860 ( -0.472 0.832 12.149) 12.186 9.276 ( 12.023 -10.066 13.704) 20.825 9.787 ( -1.750 9.796 12.197) 15.742 11.215 ( -2.406 5.700 -2.730) 6.762 11.900 ( -0.461 -9.874 0.789) 9.916 12.706 ( -0.879 -3.312 -9.017) 9.646 13.987 ( -6.339 11.331 0.530) 12.994 15.704 ( 1.337 -3.180 -0.456) 3.480 16.843 ( -0.365 -9.542 -2.013) 9.759 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( -8.444 5.345 -1.560) 10.115 4.470 ( -13.393 -1.409 -18.664) 23.016 4.925 ( -9.074 -1.164 -19.012) 21.098 4.974 ( -5.566 0.556 -8.408) 10.098 5.289 ( 6.196 18.136 -7.491) 20.577 6.167 ( 3.778 -8.466 -1.815) 9.447 6.460 ( 0.373 1.052 -0.188) 1.131 7.581 ( -4.127 -1.974 1.658) 4.866 8.363 ( 0.916 -7.434 12.339) 14.434 8.926 ( 1.565 0.954 13.242) 13.368 9.417 ( 7.053 -4.702 10.969) 13.862 9.939 ( 5.013 8.271 14.950) 17.805 11.263 ( -0.012 9.700 -2.023) 9.908 11.837 ( 4.300 -9.716 0.034) 10.625 12.659 ( 2.338 -1.861 -9.835) 10.279 13.979 ( -7.636 10.945 0.474) 13.354 15.720 ( 3.681 -2.070 -0.262) 4.231 16.772 ( 2.683 -7.326 -2.654) 8.241 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.624 ( -12.046 3.308 0.525) 12.504 4.103 ( -20.873 -3.062 -14.141) 25.397 4.789 ( 3.417 7.936 -15.115) 17.410 4.945 ( -3.609 0.249 0.141) 3.620 5.474 ( 1.442 10.696 -11.714) 15.928 6.175 ( 7.246 -8.019 -1.384) 10.896 6.454 ( -2.396 2.128 -2.744) 4.219 7.448 ( -7.235 -5.657 1.745) 9.348 8.251 ( -7.049 -11.793 11.747) 18.076 8.986 ( 0.401 -0.314 9.273) 9.287 9.462 ( -2.087 -0.524 6.740) 7.075 10.209 ( 12.557 5.688 13.481) 19.281 11.379 ( 2.673 10.839 -1.329) 11.242 11.866 ( 8.871 -6.751 0.661) 11.167 12.695 ( 7.148 -0.044 -9.315) 11.741 13.948 ( -7.631 8.957 0.287) 11.771 15.775 ( 3.467 -0.464 2.407) 4.246 16.778 ( 6.328 -4.661 -4.581) 9.097 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.000 28.409 22.650) 36.333 2.322 ( 0.000 21.984 18.849) 28.959 3.155 ( 0.000 28.782 24.268) 37.647 3.943 ( -0.000 8.185 -9.027) 12.185 4.685 ( -0.000 30.925 -2.014) 30.991 6.567 ( -0.000 7.207 -17.949) 19.342 6.772 ( 0.000 -4.369 -0.543) 4.403 6.791 ( -0.000 -2.955 -2.983) 4.199 8.582 ( -0.000 -15.208 -10.296) 18.365 9.029 ( -0.000 3.821 -0.336) 3.836 9.855 ( 0.000 -44.389 22.453) 49.745 10.525 ( -0.000 3.316 -3.803) 5.046 12.335 ( 0.000 -9.628 0.136) 9.629 13.017 ( -0.000 -5.923 -4.795) 7.620 13.572 ( -0.000 -11.897 -5.345) 13.043 13.773 ( 0.000 0.423 0.155) 0.451 15.525 ( -0.000 36.724 7.882) 37.560 17.042 ( -0.000 -9.249 -9.942) 13.579 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 0.954 20.459 23.199) 30.946 2.548 ( -1.124 29.009 13.231) 31.903 3.705 ( 21.630 25.204 4.896) 33.572 4.100 ( 10.340 10.179 -7.763) 16.456 5.039 ( 8.065 28.947 3.826) 30.292 6.588 ( -1.963 11.132 -15.152) 18.904 6.701 ( -2.237 -5.745 -0.321) 6.174 6.759 ( 0.843 -2.279 -0.928) 2.601 8.160 ( -25.146 -10.976 -4.808) 27.855 9.055 ( 0.993 -1.677 1.980) 2.779 9.627 ( 6.954 -31.044 12.408) 34.148 10.516 ( -3.659 0.845 -7.986) 8.825 12.189 ( -4.886 -9.630 -0.308) 10.803 12.910 ( -3.703 -8.871 -0.424) 9.622 13.364 ( -6.847 -12.836 -6.097) 15.774 13.793 ( 1.778 0.662 -0.148) 1.903 15.868 ( -0.859 24.803 14.204) 28.595 16.997 ( 9.520 -10.307 -12.906) 19.064 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 6.547 19.132 17.556) 26.779 2.926 ( 4.536 30.550 11.159) 32.840 4.215 ( 16.202 11.932 -9.727) 22.349 4.407 ( 16.837 14.789 -10.542) 24.766 5.531 ( 16.517 23.313 13.766) 31.714 6.546 ( -5.052 -1.667 -6.670) 8.531 6.645 ( 0.438 1.218 -5.116) 5.278 6.813 ( 3.617 5.940 3.565) 7.814 7.669 ( -23.645 -1.801 2.024) 23.800 9.060 ( 4.396 -9.027 3.819) 10.742 9.508 ( 3.489 -17.700 1.913) 18.142 10.316 ( -13.987 -4.558 -13.834) 20.193 12.009 ( -7.965 -6.357 0.925) 10.233 12.719 ( -8.343 -10.606 4.282) 14.158 13.121 ( -4.328 -11.647 -7.315) 14.418 13.844 ( 3.050 1.652 -0.576) 3.516 16.040 ( -6.621 13.869 16.510) 22.556 17.030 ( 11.194 -11.873 -12.968) 20.843 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 13.305 19.301 10.812) 25.815 3.327 ( 4.787 29.083 9.473) 30.959 4.453 ( 9.557 5.535 -10.900) 15.517 4.814 ( 17.411 15.677 -12.942) 26.766 6.025 ( 12.475 12.849 13.016) 22.139 6.410 ( -3.674 -6.685 -2.215) 7.943 6.688 ( 3.974 2.935 -4.102) 6.422 6.968 ( 3.262 6.966 9.319) 12.083 7.422 ( -8.753 8.128 4.213) 12.666 9.024 ( 1.425 -13.110 4.428) 13.911 9.416 ( 1.328 -9.105 -7.865) 12.105 9.928 ( -16.903 -7.741 -12.481) 22.392 11.799 ( -12.118 -3.698 2.211) 12.861 12.493 ( -9.145 -8.792 5.754) 13.930 12.954 ( -0.711 -10.482 -7.037) 12.645 13.920 ( 3.136 4.031 -0.732) 5.160 16.045 ( -10.025 6.843 13.277) 17.989 17.026 ( 7.706 -14.539 -9.561) 19.031 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.620 ( 15.729 17.927 3.269) 24.072 3.686 ( 2.634 26.224 7.893) 27.513 4.611 ( 8.372 4.460 -8.604) 12.807 5.176 ( 11.806 16.516 -10.711) 22.954 6.175 ( -5.783 4.572 -0.989) 7.438 6.320 ( 2.786 -9.962 4.517) 11.287 6.678 ( -7.835 -0.416 -1.656) 8.019 7.212 ( 13.474 8.750 14.687) 21.768 7.533 ( 6.506 8.299 2.198) 10.772 8.882 ( -4.789 -9.949 0.225) 11.044 9.257 ( -5.157 -9.155 -13.082) 16.780 9.690 ( -0.742 -4.512 0.327) 4.584 11.574 ( -12.429 -1.162 3.088) 12.859 12.284 ( -9.571 -6.919 5.245) 12.923 12.837 ( 0.325 -8.929 -6.854) 11.261 14.018 ( 2.111 7.810 -0.690) 8.120 15.946 ( -10.708 1.728 8.412) 13.726 16.946 ( 4.162 -16.590 -6.079) 18.152 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( -3.020 22.251 1.312) 22.494 4.051 ( 16.840 11.775 -0.160) 20.548 4.778 ( 7.459 8.249 -5.114) 12.240 5.410 ( -0.393 18.469 -12.298) 22.192 6.024 ( -11.656 -2.953 -7.625) 14.238 6.289 ( 1.110 -8.884 5.770) 10.652 6.479 ( -11.159 -1.602 -2.848) 11.628 7.495 ( 5.032 3.981 5.058) 8.171 7.763 ( 15.193 2.464 7.248) 17.013 8.789 ( 2.525 -3.048 5.288) 6.605 9.088 ( -1.727 -7.100 -2.800) 7.825 9.717 ( 5.729 -3.313 1.648) 6.820 11.412 ( -9.217 3.421 3.805) 10.542 12.072 ( -9.442 -7.691 4.415) 12.954 12.740 ( -0.206 -6.891 -7.784) 10.398 14.130 ( -0.358 12.449 -0.384) 12.460 15.798 ( -8.457 -2.558 3.939) 9.674 16.820 ( 2.487 -17.106 -3.643) 17.665 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( -6.825 13.238 -1.937) 15.019 4.394 ( 13.351 8.005 -4.405) 16.178 4.962 ( 3.212 12.272 -6.068) 14.063 5.445 ( -11.526 21.613 -9.867) 26.407 5.633 ( -22.372 -6.731 -23.627) 33.227 6.179 ( -4.346 -9.009 3.852) 10.719 6.393 ( 1.694 -1.928 3.610) 4.430 7.578 ( 2.534 1.900 1.584) 3.542 8.062 ( 15.411 -4.251 12.754) 20.451 8.892 ( 3.572 1.302 10.434) 11.105 9.066 ( 7.257 -4.394 4.997) 9.846 9.793 ( 6.814 -3.956 0.728) 7.913 11.369 ( -5.398 9.975 4.710) 12.281 11.861 ( -6.997 -10.065 3.685) 12.800 12.645 ( -0.558 -5.358 -9.444) 10.873 14.230 ( -4.742 16.400 0.154) 17.073 15.666 ( -3.076 -5.410 0.686) 6.261 16.692 ( 2.813 -16.155 -2.254) 16.552 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.961 ( -8.876 6.979 -2.586) 11.584 4.584 ( 0.555 8.726 -8.139) 11.945 5.001 ( -5.703 6.391 -7.670) 11.498 5.119 ( -20.095 -2.641 -27.836) 34.432 5.493 ( -6.142 25.393 -4.671) 26.539 6.056 ( -1.093 -9.498 4.422) 10.534 6.436 ( 2.961 -0.786 2.537) 3.978 7.607 ( -0.631 -2.739 2.872) 4.019 8.235 ( 8.589 -11.215 12.584) 18.918 8.954 ( 0.617 2.046 5.182) 5.605 9.270 ( 12.210 0.846 13.704) 18.374 9.874 ( 8.727 -5.265 -0.414) 10.201 11.444 ( -4.030 17.028 5.165) 18.245 11.690 ( -1.092 -12.960 3.677) 13.516 12.565 ( 1.030 -4.516 -10.821) 11.770 14.271 ( -9.902 16.900 0.491) 19.594 15.619 ( 3.587 -4.795 -0.578) 6.016 16.600 ( 4.720 -14.200 -1.811) 15.073 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.851 ( -9.990 4.595 -0.472) 11.006 4.455 ( -22.141 9.401 -11.986) 26.875 4.834 ( -5.652 8.061 -17.046) 19.685 4.963 ( 0.058 -0.685 -2.675) 2.762 5.608 ( -5.153 18.199 -9.828) 21.316 6.014 ( 3.489 -5.529 5.830) 8.760 6.481 ( 1.061 1.911 -0.116) 2.189 7.505 ( -6.191 -8.805 3.893) 11.446 8.214 ( 0.296 -16.270 11.802) 20.102 9.008 ( 0.985 3.619 2.616) 4.573 9.473 ( 4.018 1.216 9.125) 10.045 10.016 ( 15.139 -4.493 0.026) 15.792 11.519 ( -4.064 6.751 1.945) 8.117 11.673 ( 6.188 -0.120 7.384) 9.634 12.540 ( 5.430 -3.312 -10.633) 12.390 14.228 ( -12.461 13.161 0.191) 18.125 15.685 ( 6.967 -0.858 0.927) 7.081 16.572 ( 7.718 -11.402 -2.495) 13.993 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 0.000 21.809 20.991) 30.270 2.790 ( 0.000 17.247 8.828) 19.375 3.826 ( -0.000 31.792 -1.434) 31.825 4.096 ( -0.000 12.746 -5.986) 14.081 5.248 ( -0.000 26.438 3.491) 26.668 6.636 ( -0.000 -2.097 -5.192) 5.599 6.665 ( 0.000 -6.291 -0.650) 6.325 6.771 ( -0.000 13.340 -4.331) 14.025 8.168 ( -0.000 -18.271 -15.324) 23.846 9.144 ( 0.000 7.403 2.416) 7.787 9.279 ( 0.000 -29.135 16.917) 33.690 10.542 ( -0.000 1.559 -7.259) 7.424 12.094 ( 0.000 -14.385 -2.550) 14.609 12.860 ( 0.000 -8.714 1.559) 8.853 13.263 ( -0.000 -15.503 -7.281) 17.127 13.796 ( 0.000 1.277 1.389) 1.887 16.161 ( 0.000 21.124 16.641) 26.891 16.765 ( -0.000 -10.663 -13.600) 17.282 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 0.206 16.519 12.999) 21.021 3.116 ( 7.851 20.754 11.276) 24.890 4.147 ( 6.078 22.751 -12.137) 26.493 4.297 ( 10.369 14.990 -5.339) 18.993 5.575 ( 8.600 22.506 8.061) 25.406 6.553 ( -2.192 -10.845 2.731) 11.397 6.589 ( 0.555 -5.788 -1.744) 6.070 6.931 ( -0.819 20.836 -2.349) 20.984 7.880 ( -8.647 -11.851 -10.325) 17.939 9.002 ( -5.261 -9.677 8.821) 14.111 9.309 ( 5.247 -4.271 2.178) 7.107 10.440 ( -9.544 -2.363 -11.250) 14.941 11.960 ( 1.563 -13.103 -1.896) 13.331 12.747 ( -4.564 -9.568 5.176) 11.797 13.044 ( -4.235 -15.119 -7.803) 17.533 13.825 ( 1.478 2.134 0.821) 2.723 16.332 ( -5.369 10.092 19.839) 22.897 16.703 ( 8.307 -8.484 -15.437) 19.475 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 7.540 16.911 10.352) 21.213 3.508 ( 10.266 22.533 9.105) 26.382 4.345 ( 5.008 10.931 -15.134) 19.329 4.664 ( 15.966 17.422 -6.394) 24.481 5.964 ( 11.860 12.117 9.250) 19.315 6.410 ( -3.574 -9.698 3.262) 10.838 6.583 ( 6.045 -5.185 1.202) 8.054 7.093 ( -2.332 15.869 5.710) 17.026 7.655 ( -8.574 1.866 -3.761) 9.547 8.910 ( 0.711 -6.782 2.287) 7.193 9.306 ( -0.800 -3.352 -3.203) 4.705 10.107 ( -18.172 -6.946 -15.139) 24.651 11.867 ( -1.201 -8.788 0.496) 8.884 12.572 ( -7.529 -8.854 7.961) 14.088 12.830 ( -1.520 -13.301 -7.681) 15.435 13.898 ( 3.614 4.178 -0.222) 5.529 16.326 ( -9.101 2.650 15.911) 18.521 16.714 ( 7.790 -10.421 -11.383) 17.287 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.554 ( 11.812 15.314 5.610) 20.138 3.930 ( 7.141 26.684 8.981) 29.046 4.464 ( 7.783 4.467 -13.712) 16.387 5.084 ( 15.953 17.835 -4.688) 24.384 6.156 ( 5.852 -10.498 8.027) 14.453 6.297 ( -4.206 -0.370 0.778) 4.293 6.689 ( 6.471 -1.468 0.695) 6.672 7.206 ( 0.888 7.886 15.405) 17.329 7.622 ( -3.397 11.448 -1.505) 12.036 8.876 ( -1.029 -1.815 -3.016) 3.667 9.185 ( -4.777 -7.797 -11.724) 14.868 9.721 ( -11.754 -6.270 -8.536) 15.822 11.733 ( -7.191 -4.762 3.009) 9.135 12.400 ( -8.454 -5.864 7.126) 12.515 12.691 ( 2.208 -11.802 -6.481) 13.644 14.023 ( 5.041 7.255 -0.851) 8.875 16.203 ( -12.559 0.333 10.897) 16.631 16.667 ( 5.573 -15.830 -7.442) 18.359 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.907 ( 13.133 12.194 0.011) 17.921 4.223 ( -3.918 21.238 4.233) 22.007 4.672 ( 14.324 9.933 -5.963) 18.423 5.478 ( 10.907 19.357 -4.331) 22.636 6.074 ( -0.913 -16.416 5.239) 17.256 6.240 ( -4.188 0.028 -0.873) 4.278 6.654 ( -8.547 -1.166 -1.398) 8.739 7.430 ( 10.701 3.347 15.911) 19.465 7.674 ( -0.908 6.109 -1.978) 6.486 8.794 ( -4.775 0.783 -2.326) 5.369 9.020 ( 0.456 -5.780 -11.143) 12.561 9.579 ( 1.559 -5.956 -2.228) 6.547 11.597 ( -7.499 0.610 5.717) 9.449 12.201 ( -10.938 -6.515 4.738) 13.584 12.624 ( 2.764 -7.998 -5.977) 10.360 14.196 ( 5.389 11.351 -0.995) 12.604 15.997 ( -14.600 -1.672 6.383) 16.022 16.560 ( 4.803 -19.515 -4.637) 20.625 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.163 ( 3.137 8.448 -8.324) 12.267 4.330 ( 2.390 11.193 5.772) 12.818 5.013 ( 8.333 19.557 -2.773) 21.438 5.749 ( -1.270 20.894 -4.656) 21.444 5.822 ( -14.135 -7.920 -15.152) 22.184 6.153 ( -1.382 -9.276 6.451) 11.383 6.458 ( -10.599 -0.373 1.336) 10.690 7.582 ( -0.072 2.302 2.564) 3.447 7.787 ( 14.006 -6.404 9.966) 18.344 8.834 ( 6.713 1.467 9.249) 11.523 8.990 ( 1.840 1.243 -8.291) 8.583 9.578 ( 7.108 -9.006 -3.656) 12.042 11.556 ( -4.202 6.197 8.734) 11.504 11.957 ( -11.269 -7.381 2.723) 13.744 12.567 ( 0.269 -5.300 -7.252) 8.986 14.402 ( 3.353 16.184 -0.596) 16.538 15.750 ( -12.599 -4.596 2.584) 13.658 16.437 ( 5.272 -20.412 -2.646) 21.247 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.144 ( -7.176 5.487 -4.583) 10.129 4.555 ( 9.196 7.611 0.554) 11.950 5.214 ( -6.223 17.505 -6.119) 19.560 5.361 ( -21.572 -3.742 -24.083) 32.548 5.870 ( -8.866 26.503 -5.332) 28.450 6.048 ( -4.420 -8.189 9.837) 13.541 6.390 ( 1.519 -0.680 3.731) 4.086 7.582 ( 0.022 -4.137 3.089) 5.163 7.964 ( 13.328 -14.351 11.758) 22.844 8.965 ( 2.481 3.367 -2.922) 5.102 9.137 ( 12.296 5.883 11.009) 17.521 9.600 ( 9.585 -12.047 -6.863) 16.855 11.596 ( -2.136 -2.600 11.753) 12.225 11.758 ( -7.736 6.190 1.049) 9.963 12.480 ( -1.135 -5.098 -9.234) 10.609 14.579 ( -4.162 19.527 0.240) 19.967 15.551 ( -3.831 -6.335 -0.049) 7.403 16.337 ( 6.753 -19.286 -1.443) 20.485 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.045 ( -8.865 4.544 -0.747) 9.990 4.740 ( 3.677 7.412 -2.983) 8.796 4.957 ( -14.881 4.057 -24.107) 28.619 5.122 ( -17.011 9.827 -0.996) 19.671 5.850 ( -10.355 3.852 -1.063) 11.099 6.057 ( -2.085 16.122 6.183) 17.393 6.462 ( 3.745 3.336 0.537) 5.045 7.499 ( -3.111 -11.580 5.236) 13.084 8.012 ( 7.533 -19.829 11.232) 24.002 9.036 ( 2.099 7.549 -5.322) 9.472 9.429 ( 7.643 3.465 10.770) 13.654 9.648 ( 16.121 -11.218 -8.828) 21.533 11.468 ( -1.787 -13.399 6.498) 14.998 11.866 ( -2.756 20.455 7.970) 22.125 12.391 ( 1.995 -6.248 -10.613) 12.477 14.590 ( -14.418 14.665 0.225) 20.566 15.551 ( 7.767 -0.718 -0.005) 7.800 16.291 ( 9.181 -16.646 -1.137) 19.044 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( -0.000 13.356 1.890) 13.489 3.237 ( 0.000 15.019 16.773) 22.515 4.304 ( -0.000 23.603 -14.971) 27.951 4.327 ( -0.000 13.756 -3.063) 14.093 5.737 ( 0.000 20.434 6.462) 21.431 6.435 ( 0.000 -17.788 9.499) 20.166 6.532 ( 0.000 -7.077 -0.058) 7.078 7.153 ( -0.000 22.635 -2.060) 22.728 7.759 ( -0.000 -10.097 -15.680) 18.650 8.974 ( 0.000 -10.727 6.453) 12.519 9.332 ( 0.000 9.432 4.079) 10.276 10.476 ( -0.000 -2.288 -10.578) 10.823 11.772 ( 0.000 -16.292 -4.088) 16.797 12.716 ( 0.000 -8.960 6.462) 11.047 12.905 ( -0.000 -16.095 -7.971) 17.960 13.832 ( 0.000 1.276 1.744) 2.161 16.394 ( 0.000 -13.119 4.414) 13.841 16.638 ( -0.000 11.509 0.621) 11.526 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 5.012 13.814 4.764) 15.448 3.502 ( 10.117 13.109 9.733) 19.208 4.409 ( -1.494 14.449 -12.234) 18.991 4.576 ( 11.429 15.814 -4.786) 20.090 5.952 ( 4.430 6.647 5.632) 9.774 6.322 ( 2.246 -14.259 12.687) 19.218 6.469 ( 1.200 -6.126 1.745) 6.481 7.301 ( -2.071 10.784 2.788) 11.330 7.698 ( 0.591 7.980 -13.764) 15.921 8.903 ( -2.456 -1.269 1.316) 3.062 9.387 ( -5.339 7.042 2.091) 9.081 10.276 ( -14.428 -5.758 -14.086) 20.970 11.684 ( 7.789 -13.500 -2.821) 15.839 12.618 ( -4.612 -8.995 9.593) 13.936 12.702 ( -2.184 -14.533 -8.362) 16.909 13.877 ( 3.117 2.519 1.063) 4.146 16.295 ( 3.893 -14.551 -1.269) 15.116 16.707 ( -5.202 6.889 6.227) 10.644 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.552 ( 8.099 13.676 5.863) 16.941 3.906 ( 19.884 14.279 5.528) 25.096 4.456 ( -2.309 10.282 -10.836) 15.115 4.954 ( 17.232 14.687 -1.437) 22.688 5.967 ( 3.932 -19.692 11.322) 23.053 6.327 ( 0.505 -0.476 4.222) 4.279 6.524 ( 8.887 -2.832 4.286) 10.265 7.350 ( -1.659 5.429 7.158) 9.136 7.783 ( -2.464 17.003 -9.278) 19.525 8.883 ( -1.497 4.571 -3.658) 6.043 9.285 ( -12.618 1.894 -3.908) 13.344 9.874 ( -17.568 -6.636 -12.777) 22.714 11.695 ( 5.182 -8.407 -1.187) 9.947 12.484 ( -5.591 -6.845 10.275) 13.553 12.521 ( 0.002 -13.620 -7.004) 15.315 13.995 ( 5.980 5.896 0.141) 8.399 16.219 ( 4.026 -15.401 -0.786) 15.938 16.631 ( -10.517 0.968 4.804) 11.603 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.837 ( 9.738 11.435 3.278) 15.373 4.442 ( 23.980 12.964 -0.854) 27.273 4.464 ( -4.097 11.917 -1.279) 12.666 5.393 ( 18.149 14.806 0.496) 23.427 5.866 ( 4.795 -23.621 13.653) 27.701 6.318 ( -3.096 0.503 -0.846) 3.249 6.635 ( 5.769 -4.927 0.554) 7.607 7.429 ( 1.227 5.976 10.292) 11.964 7.828 ( -7.011 12.505 -6.781) 15.859 8.907 ( -0.877 7.806 -8.033) 11.235 8.993 ( -14.672 -4.201 -8.343) 17.393 9.584 ( -8.243 -3.488 -4.286) 9.924 11.675 ( -0.490 -2.335 1.493) 2.814 12.294 ( -7.930 -11.045 0.747) 13.617 12.472 ( 4.452 -6.636 1.240) 8.086 14.186 ( 7.729 10.169 -0.426) 12.780 16.117 ( 0.732 -14.632 0.714) 14.668 16.426 ( -12.157 -5.481 1.852) 13.463 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.102 ( 9.381 8.878 -0.792) 12.940 4.446 ( -3.074 4.509 -2.185) 5.879 4.996 ( 18.052 20.275 4.651) 27.542 5.747 ( 5.304 -17.239 7.485) 19.528 5.834 ( 10.770 14.961 0.905) 18.456 6.199 ( -8.831 -1.478 -6.731) 11.202 6.601 ( -4.169 -4.488 -0.139) 6.127 7.553 ( 5.046 0.311 10.291) 11.466 7.740 ( -9.208 3.763 -5.908) 11.569 8.804 ( -1.292 -1.095 1.787) 2.462 8.959 ( 1.363 7.774 -9.723) 12.523 9.457 ( -2.164 -4.675 -2.440) 5.700 11.677 ( -1.240 3.766 5.888) 7.099 12.039 ( -8.769 -11.955 -1.532) 14.905 12.490 ( 2.487 -3.703 -0.779) 4.529 14.440 ( 8.685 14.673 -0.594) 17.061 15.949 ( -9.461 -8.144 2.485) 12.728 16.178 ( -3.724 -15.955 -1.400) 16.444 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.260 ( -0.439 6.987 -4.262) 8.196 4.478 ( 4.843 2.602 1.905) 5.819 5.389 ( 5.551 11.404 8.867) 15.475 5.545 ( -12.836 -4.917 -18.436) 22.996 6.068 ( -1.246 0.441 3.841) 4.062 6.162 ( 4.037 21.560 -1.958) 22.022 6.452 ( -8.208 -2.089 1.628) 8.624 7.586 ( -5.749 -3.556 -0.751) 6.802 7.660 ( 8.701 -12.644 8.944) 17.765 8.883 ( 7.370 0.468 -0.844) 7.433 9.076 ( 6.280 10.271 -0.304) 12.042 9.388 ( 1.453 -6.918 -3.300) 7.801 11.669 ( -7.972 -7.539 10.981) 15.523 11.863 ( 0.918 3.919 -4.903) 6.344 12.457 ( -2.199 -2.865 -2.969) 4.676 14.738 ( 7.130 19.198 -0.250) 20.481 15.668 ( -15.757 -4.781 1.061) 16.500 16.018 ( 6.236 -21.664 -1.239) 22.578 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.231 ( -7.555 5.919 0.185) 9.599 4.627 ( 9.260 0.552 -2.465) 9.598 5.189 ( -15.867 2.836 -22.370) 27.572 5.457 ( -8.343 2.910 9.919) 13.284 6.069 ( -12.167 5.214 7.836) 15.383 6.347 ( -4.035 25.402 -4.133) 26.051 6.437 ( 4.734 5.866 -0.650) 7.566 7.438 ( -2.885 -13.289 3.956) 14.162 7.688 ( 10.177 -21.338 9.428) 25.451 8.994 ( 7.204 2.446 -11.002) 13.376 9.335 ( 6.583 -1.920 -7.280) 10.001 9.366 ( 8.472 4.190 10.669) 14.254 11.438 ( -6.946 -13.619 6.385) 16.568 12.027 ( 6.107 12.802 0.585) 14.197 12.344 ( -5.954 -3.681 -3.593) 7.868 14.954 ( -8.554 18.141 0.349) 20.060 15.455 ( -0.084 -2.026 -0.457) 2.078 15.950 ( 10.026 -20.061 -0.395) 22.430 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -0.000 10.726 -0.330) 10.731 3.581 ( 0.000 11.497 12.293) 16.832 4.553 ( -0.000 12.565 -11.334) 16.922 4.558 ( -0.000 11.861 -2.131) 12.051 5.894 ( 0.000 -19.461 11.502) 22.606 6.272 ( 0.000 2.052 9.684) 9.899 6.402 ( 0.000 -6.654 1.077) 6.741 7.349 ( 0.000 0.124 1.417) 1.423 7.821 ( -0.000 24.513 -12.831) 27.668 8.942 ( -0.000 5.146 -2.563) 5.749 9.536 ( 0.000 8.691 3.258) 9.282 10.318 ( -0.000 -5.270 -14.279) 15.221 11.442 ( 0.000 -14.860 -3.527) 15.273 12.558 ( -0.000 -13.641 -8.470) 16.057 12.608 ( 0.000 -8.791 11.019) 14.096 13.863 ( 0.000 0.831 1.317) 1.558 16.117 ( -0.000 -12.613 -4.468) 13.381 16.840 ( 0.000 3.826 9.394) 10.143 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.539 ( 9.989 10.512 1.478) 14.576 3.781 ( 8.053 10.326 8.948) 15.860 4.571 ( -2.761 9.417 -6.599) 11.826 4.804 ( 13.623 10.065 -1.258) 16.985 5.714 ( 3.006 -30.463 18.269) 35.648 6.327 ( 0.304 -0.493 3.508) 3.555 6.400 ( 5.131 -1.238 1.477) 5.481 7.389 ( 1.725 4.254 1.997) 5.006 7.999 ( -2.938 23.760 -10.674) 26.213 8.980 ( -2.459 9.608 -5.248) 11.221 9.529 ( -10.712 5.888 -0.367) 12.229 10.059 ( -15.901 -5.962 -13.851) 21.914 11.427 ( 12.508 -10.847 -3.007) 16.827 12.387 ( -1.781 -12.752 -6.904) 14.610 12.533 ( -3.776 -7.465 11.576) 14.283 13.931 ( 6.296 2.395 0.762) 6.779 16.009 ( 2.224 -12.387 -3.867) 13.166 16.828 ( -7.431 0.369 8.116) 11.011 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.809 ( 8.549 9.259 4.725) 13.458 4.143 ( 21.257 9.178 0.965) 23.173 4.609 ( -1.037 9.288 0.382) 9.354 5.181 ( 20.184 8.404 2.050) 21.959 5.565 ( 6.906 -29.605 19.288) 36.003 6.335 ( 0.643 -1.974 2.347) 3.133 6.482 ( 5.943 -2.674 -1.572) 6.703 7.483 ( 1.908 6.394 2.315) 7.063 8.079 ( -8.073 17.838 -9.057) 21.574 9.005 ( -3.904 10.233 -6.714) 12.847 9.269 ( -20.457 0.793 -9.683) 22.647 9.732 ( -13.535 -1.682 -3.604) 14.107 11.550 ( 11.213 -4.651 -3.462) 12.623 12.220 ( -1.422 -13.040 -6.233) 14.523 12.441 ( -3.380 -5.607 11.754) 13.454 14.118 ( 10.562 6.530 0.265) 12.420 15.910 ( 2.161 -13.989 -2.746) 14.419 16.662 ( -14.084 -2.090 5.802) 15.375 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( 8.354 6.358 4.001) 11.235 4.461 ( 5.630 4.780 -7.665) 10.644 4.859 ( 18.264 12.603 12.815) 25.625 5.462 ( 10.244 -21.485 16.377) 28.892 5.675 ( 21.591 7.268 2.688) 22.940 6.285 ( -4.666 -2.713 -4.286) 6.892 6.517 ( 3.527 -5.513 -3.215) 7.292 7.568 ( 0.605 4.043 2.584) 4.837 7.994 ( -14.828 9.912 -8.785) 19.882 8.901 ( -11.176 -0.819 -1.474) 11.302 9.062 ( -5.144 12.833 -9.944) 17.030 9.527 ( -9.842 -1.145 -0.088) 9.909 11.677 ( 6.718 2.754 -1.791) 7.478 12.018 ( -5.374 -14.433 -4.368) 16.009 12.416 ( 1.790 -4.237 7.437) 8.745 14.396 ( 12.313 11.418 -0.044) 16.793 15.794 ( 2.157 -15.959 -1.608) 16.185 16.373 ( -18.849 -3.641 3.384) 19.493 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.232 ( 8.300 3.642 1.343) 9.163 4.498 ( -2.102 4.425 -2.056) 5.313 5.287 ( 13.899 -6.422 22.608) 27.305 5.518 ( 9.086 -0.272 -6.936) 11.434 6.108 ( 4.986 6.033 -1.639) 7.996 6.159 ( 9.138 7.747 -3.426) 12.460 6.472 ( -0.112 -7.371 -1.938) 7.622 7.566 ( -2.771 -3.875 2.947) 5.601 7.745 ( -17.129 1.577 -7.895) 18.927 8.835 ( -0.018 2.645 6.414) 6.938 9.116 ( 0.455 12.589 -5.558) 13.769 9.379 ( -5.589 -1.921 -1.902) 6.209 11.743 ( -9.064 -14.691 0.138) 17.262 11.830 ( 5.853 8.150 -2.281) 10.290 12.430 ( 1.668 -4.132 2.384) 5.053 14.738 ( 13.053 15.968 -0.186) 20.626 15.677 ( 3.556 -16.945 -0.585) 17.324 16.005 ( -21.166 -4.869 1.339) 21.761 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.368 ( 2.151 3.726 0.000) 4.303 4.502 ( 0.964 1.670 -0.000) 1.928 5.321 ( -3.858 -6.683 -0.000) 7.717 5.524 ( -2.016 -3.492 0.000) 4.032 6.313 ( 11.635 20.153 0.000) 23.271 6.359 ( -3.833 -6.639 -0.000) 7.666 6.542 ( 9.783 16.945 -0.000) 19.567 7.406 ( -7.791 -13.494 0.000) 15.582 7.460 ( -6.960 -12.055 -0.000) 13.920 8.887 ( 0.582 1.008 0.000) 1.163 9.307 ( 7.323 12.683 0.000) 14.645 9.310 ( 0.212 0.368 -0.000) 0.425 11.448 ( -8.415 -14.575 -0.000) 16.830 12.012 ( 5.191 8.992 0.000) 10.383 12.393 ( -1.817 -3.148 -0.000) 3.634 15.121 ( 11.474 19.873 -0.000) 22.948 15.592 ( -4.329 -7.497 -0.000) 8.657 15.613 ( -8.701 -15.070 -0.000) 17.401 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( -0.000 7.758 0.226) 7.761 3.865 ( 0.000 9.938 12.803) 16.208 4.668 ( -0.000 5.217 -3.199) 6.120 4.745 ( -0.000 9.053 -2.227) 9.323 5.440 ( 0.000 -34.413 23.211) 41.509 6.297 ( 0.000 -5.370 2.257) 5.825 6.371 ( -0.000 2.130 0.428) 2.173 7.440 ( -0.000 8.279 0.801) 8.318 8.217 ( -0.000 22.506 -10.836) 24.979 9.083 ( -0.000 11.436 -8.116) 14.023 9.683 ( -0.000 5.178 -0.424) 5.195 10.110 ( -0.000 -4.686 -16.753) 17.396 11.184 ( 0.000 -10.133 -0.508) 10.146 12.272 ( -0.000 -10.748 -6.487) 12.554 12.536 ( 0.000 -6.935 12.338) 14.154 13.881 ( 0.000 0.335 0.576) 0.666 15.884 ( -0.000 -8.742 -3.195) 9.307 16.910 ( 0.000 -1.897 7.292) 7.535 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.703 ( 12.159 5.763 0.888) 13.484 4.035 ( 5.284 8.655 12.595) 16.170 4.692 ( -0.504 5.910 0.146) 5.933 4.951 ( 14.572 6.039 -0.037) 15.774 5.234 ( 4.811 -32.559 24.509) 41.036 6.276 ( 1.960 -4.822 1.915) 5.547 6.406 ( 2.408 0.745 -0.252) 2.533 7.532 ( 0.838 8.239 -0.425) 8.293 8.335 ( -5.204 17.694 -10.422) 21.185 9.136 ( -2.533 10.010 -10.470) 14.705 9.564 ( -16.576 1.249 -9.291) 19.044 9.926 ( -10.178 0.044 -6.157) 11.895 11.248 ( 14.860 -5.651 -2.045) 16.029 12.128 ( -3.031 -9.806 -5.660) 11.721 12.488 ( -3.167 -5.659 12.685) 14.246 13.975 ( 10.120 1.730 0.212) 10.269 15.794 ( -0.975 -7.646 -2.008) 7.965 16.840 ( -7.791 -3.330 5.432) 10.065 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( 10.064 1.877 3.187) 10.722 4.321 ( 14.517 8.411 4.281) 17.315 4.789 ( 5.153 5.090 9.379) 11.851 5.134 ( 9.419 -24.889 21.845) 34.430 5.341 ( 23.595 4.077 1.970) 24.026 6.250 ( 0.654 -6.329 -2.598) 6.873 6.449 ( 1.329 0.566 -1.697) 2.229 7.607 ( 0.341 5.161 -1.119) 5.292 8.298 ( -12.141 10.973 -9.769) 19.059 9.074 ( -9.763 0.678 -9.255) 13.469 9.281 ( -11.720 10.512 -12.474) 20.086 9.744 ( -13.618 1.861 3.943) 14.299 11.482 ( 16.564 0.598 -5.161) 17.360 11.947 ( -4.673 -11.038 -5.680) 13.264 12.426 ( -3.154 -4.201 12.271) 13.348 14.232 ( 16.341 4.676 -0.060) 16.997 15.682 ( -2.910 -7.878 -0.876) 8.444 16.633 ( -14.557 -3.710 3.377) 15.398 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.106 ( 8.620 -1.455 2.813) 9.183 4.564 ( 2.769 8.968 -1.256) 9.469 5.032 ( 14.614 -10.574 26.246) 31.847 5.232 ( 18.406 -6.520 4.961) 20.147 5.824 ( 27.007 5.102 3.701) 27.733 6.145 ( -3.038 -6.255 -9.143) 11.487 6.432 ( -1.618 0.029 -4.476) 4.760 7.608 ( -3.500 -0.602 -2.054) 4.103 8.072 ( -19.642 4.246 -9.862) 22.385 8.926 ( -3.855 2.587 3.344) 5.722 9.262 ( -3.728 15.128 -11.749) 19.513 9.533 ( -14.303 0.051 5.590) 15.357 11.711 ( -5.293 -8.693 -10.278) 14.465 11.762 ( 11.806 3.174 -0.561) 12.238 12.387 ( -1.202 -4.389 9.238) 10.298 14.582 ( 18.933 6.480 -0.312) 20.013 15.551 ( -3.519 -7.326 0.040) 8.128 16.322 ( -19.606 -3.183 1.615) 19.928 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( 0.000 3.753 1.344) 3.987 4.122 ( 0.000 4.779 18.877) 19.473 4.747 ( -0.000 5.241 1.007) 5.336 4.874 ( -0.000 6.052 -2.316) 6.480 4.975 ( 0.000 -30.216 27.182) 40.644 6.230 ( 0.000 -3.451 3.109) 4.645 6.393 ( 0.000 0.664 0.635) 0.919 7.597 ( -0.000 6.758 -1.862) 7.010 8.498 ( -0.000 13.875 -11.133) 17.789 9.197 ( -0.000 6.779 -14.458) 15.968 9.718 ( -0.000 0.544 -5.207) 5.235 9.969 ( -0.000 2.618 -15.797) 16.012 11.063 ( 0.000 -3.487 3.521) 4.955 12.066 ( -0.000 -6.930 -4.422) 8.221 12.509 ( 0.000 -4.463 12.527) 13.298 13.884 ( -0.000 -0.128 -0.100) 0.163 15.751 ( 0.000 -3.673 -0.836) 3.766 16.885 ( 0.000 -4.120 4.195) 5.880 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.770 ( 10.813 0.599 1.098) 10.885 4.246 ( 5.556 1.162 18.415) 19.270 4.820 ( 0.396 5.183 6.200) 8.091 4.848 ( 5.723 -22.664 23.958) 33.472 5.054 ( 15.422 5.350 -0.297) 16.326 6.197 ( -1.425 -3.793 0.598) 4.096 6.429 ( 2.355 1.217 1.144) 2.887 7.639 ( 0.170 2.992 -2.448) 3.870 8.513 ( -6.549 7.882 -10.917) 14.973 9.158 ( -4.334 1.806 -15.871) 16.551 9.536 ( -13.872 3.992 -11.620) 18.531 9.952 ( -4.919 5.006 -3.485) 7.836 11.190 ( 14.599 0.292 -0.244) 14.604 11.943 ( -5.818 -6.041 -4.159) 9.362 12.489 ( -2.896 -2.768 12.418) 13.049 13.995 ( 12.888 0.358 -0.321) 12.897 15.698 ( -3.335 -1.711 0.100) 3.750 16.793 ( -7.697 -3.938 2.802) 9.088 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( 9.653 -3.493 1.636) 10.395 4.490 ( 15.028 1.938 10.729) 18.566 4.850 ( 6.585 -13.430 24.497) 28.703 4.936 ( 8.272 -1.369 5.909) 10.258 5.452 ( 23.990 5.806 3.616) 24.946 6.105 ( -3.498 -5.145 -5.335) 8.196 6.459 ( -0.793 1.388 -1.786) 2.397 7.635 ( -1.411 -1.477 -2.620) 3.322 8.352 ( -14.079 1.511 -10.745) 17.775 9.012 ( -5.612 0.165 -6.887) 8.885 9.411 ( -4.852 10.381 -13.817) 17.950 9.842 ( -14.264 5.108 5.682) 16.182 11.497 ( 19.725 3.832 -4.852) 20.671 11.737 ( -9.431 -6.238 -6.203) 12.898 12.450 ( -4.255 -1.406 12.030) 12.838 14.276 ( 19.578 -0.103 -0.455) 19.584 15.613 ( -5.901 0.674 0.532) 5.963 16.583 ( -14.329 -2.806 1.701) 14.700 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.676 ( 0.000 -1.080 1.729) 2.039 4.238 ( 0.000 -7.404 21.721) 22.948 4.689 ( 0.000 -17.470 26.055) 31.369 4.940 ( 0.000 12.808 6.024) 14.153 4.944 ( -0.000 2.641 -1.961) 3.290 6.210 ( 0.000 -0.836 3.542) 3.640 6.415 ( 0.000 0.666 1.669) 1.797 7.636 ( -0.000 -1.311 -3.011) 3.284 8.582 ( -0.000 2.470 -11.417) 11.681 9.154 ( -0.000 1.614 -18.240) 18.312 9.648 ( -0.000 -2.794 -7.811) 8.296 10.002 ( -0.000 10.532 -15.387) 18.646 11.088 ( 0.000 2.566 5.586) 6.147 11.950 ( -0.000 -2.828 -2.098) 3.521 12.538 ( 0.000 -0.656 11.673) 11.692 13.875 ( -0.000 -0.601 -0.517) 0.792 15.728 ( 0.000 1.048 0.605) 1.210 16.829 ( 0.000 -3.350 2.261) 4.041 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( 8.964 -4.055 0.902) 9.880 4.282 ( 8.617 -10.340 18.525) 22.899 4.687 ( 5.479 -9.638 23.086) 25.610 4.949 ( -0.471 2.692 1.741) 3.240 5.217 ( 13.854 10.528 6.829) 18.692 6.154 ( -6.457 -0.939 0.709) 6.564 6.455 ( 2.093 0.410 0.863) 2.301 7.602 ( 0.545 -4.857 -2.401) 5.445 8.482 ( -6.935 -3.350 -11.298) 13.673 9.064 ( -4.503 0.034 -14.197) 14.894 9.524 ( -5.650 1.752 -10.410) 11.973 10.056 ( -2.898 9.714 -8.163) 13.015 11.247 ( 12.252 4.892 1.207) 13.248 11.849 ( -8.839 -1.276 -2.494) 9.272 12.553 ( -3.084 1.414 11.245) 11.746 13.984 ( 13.239 -1.188 -0.520) 13.302 15.717 ( -3.581 2.850 0.367) 4.591 16.748 ( -7.495 -1.799 2.129) 7.996 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.615 ( 0.000 -6.426 0.866) 6.484 4.150 ( 0.000 -15.211 18.014) 23.577 4.660 ( 0.000 -1.554 20.337) 20.396 4.947 ( -0.000 -1.304 -1.151) 1.739 5.264 ( 0.000 12.804 11.415) 17.153 6.248 ( 0.000 2.307 3.607) 4.282 6.424 ( 0.000 -1.406 2.030) 2.470 7.527 ( 0.000 -7.240 -1.577) 7.410 8.444 ( -0.000 -8.417 -11.579) 14.315 9.055 ( -0.000 0.019 -15.761) 15.761 9.525 ( -0.000 -4.480 -7.430) 8.676 10.130 ( -0.000 13.989 -17.766) 22.613 11.220 ( 0.000 7.147 5.055) 8.754 11.932 ( -0.000 1.621 0.056) 1.622 12.644 ( 0.000 4.143 10.122) 10.937 13.855 ( -0.000 -1.000 -0.585) 1.158 15.774 ( -0.000 2.849 -0.593) 2.910 16.811 ( 0.000 0.170 3.165) 3.169 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.000 -0.000 32.935) 32.935 1.482 ( 0.000 -0.000 32.935) 32.935 2.435 ( 0.000 -0.000 57.519) 57.519 3.879 ( -0.000 0.000 -9.033) 9.033 3.879 ( -0.000 0.000 -9.033) 9.033 6.578 ( -0.000 0.000 -23.217) 23.217 6.851 ( -0.000 0.000 -0.055) 0.055 6.851 ( 0.000 0.000 -0.055) 0.055 9.010 ( -0.000 0.000 -2.772) 2.772 9.010 ( -0.000 0.000 -2.772) 2.772 10.338 ( -0.000 0.000 -6.608) 6.608 12.081 ( 0.000 -0.000 10.526) 10.526 12.466 ( 0.000 -0.000 2.638) 2.638 12.466 ( 0.000 -0.000 2.638) 2.638 13.801 ( -0.000 0.000 -1.221) 1.221 13.801 ( -0.000 0.000 -1.221) 1.221 14.080 ( -0.000 0.000 -0.776) 0.776 17.233 ( -0.000 0.000 -1.435) 1.435 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 5.336 3.081 29.477) 30.114 1.844 ( 9.419 5.438 34.135) 35.826 2.874 ( 24.682 14.250 38.950) 48.263 3.955 ( 6.611 3.817 -8.216) 11.215 4.021 ( 17.307 9.992 -5.655) 20.770 6.488 ( -0.825 -0.477 -23.270) 23.290 6.827 ( -1.936 -1.118 -0.168) 2.242 6.831 ( -1.841 -1.063 -1.754) 2.756 8.661 ( -28.010 -16.172 1.847) 32.396 9.065 ( 3.812 2.201 -2.437) 5.031 10.360 ( 1.922 1.110 -6.964) 7.309 11.113 ( -40.929 -23.630 21.092) 51.754 12.371 ( -6.945 -4.010 2.251) 8.330 13.036 ( 9.362 5.405 -9.069) 14.110 13.688 ( -8.092 -4.672 -1.734) 9.504 13.830 ( 1.495 0.863 -0.952) 1.971 14.629 ( 38.374 22.155 0.834) 44.319 17.238 ( 2.070 1.195 -5.866) 6.334 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 15.591 9.002 21.387) 27.956 2.155 ( 10.314 5.955 32.678) 34.780 3.638 ( 33.976 19.616 6.179) 39.716 4.103 ( 8.830 5.098 -7.195) 12.479 4.550 ( 28.719 16.581 8.321) 34.190 6.408 ( 0.769 0.444 -20.378) 20.398 6.767 ( -3.252 -1.878 -0.480) 3.786 6.778 ( -1.488 -0.859 -3.355) 3.770 7.972 ( -31.728 -18.318 7.531) 37.403 9.158 ( 5.113 2.952 -1.388) 6.065 10.267 ( -11.155 -6.440 3.934) 13.468 10.563 ( -15.335 -8.853 1.053) 17.738 12.184 ( -10.263 -5.925 1.309) 11.922 13.019 ( -5.468 -3.157 -4.602) 7.814 13.468 ( -9.963 -5.752 -3.867) 12.137 13.857 ( 1.123 0.649 -0.460) 1.376 15.342 ( 22.323 12.888 9.399) 27.437 17.289 ( 4.913 2.836 -12.582) 13.802 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 19.214 11.093 14.386) 26.443 2.546 ( 16.411 9.475 24.333) 30.841 4.283 ( 9.189 5.305 -6.198) 12.288 4.306 ( 27.329 15.778 -18.122) 36.390 5.274 ( 30.180 17.424 21.946) 41.183 6.414 ( 5.796 3.346 -15.784) 17.144 6.683 ( -4.093 -2.363 -0.936) 4.818 6.773 ( 2.255 1.302 -2.088) 3.337 7.411 ( -20.114 -11.613 8.140) 24.611 9.275 ( 5.461 3.153 0.356) 6.316 9.955 ( -18.158 -10.484 11.266) 23.803 10.258 ( -12.767 -7.371 -13.861) 20.235 11.939 ( -11.780 -6.801 -0.045) 13.603 12.821 ( -11.105 -6.411 1.083) 12.868 13.261 ( -6.975 -4.027 -6.241) 10.189 13.875 ( 0.549 0.317 0.021) 0.635 15.698 ( 7.626 4.403 14.061) 16.590 17.344 ( 3.428 1.979 -13.548) 14.115 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 18.680 10.785 9.307) 23.492 3.024 ( 20.487 11.828 15.401) 28.228 4.458 ( 8.174 4.719 -5.128) 10.742 4.736 ( 18.632 10.757 -22.615) 31.214 5.883 ( 15.230 8.793 14.819) 22.997 6.584 ( -4.456 -2.573 -1.479) 5.354 6.608 ( 16.224 9.367 -5.769) 19.602 6.786 ( -3.536 -2.041 2.507) 4.791 7.240 ( 4.729 2.730 5.804) 7.969 9.394 ( 4.683 2.704 2.616) 6.007 9.536 ( -21.137 -12.203 -2.231) 24.508 9.919 ( -14.236 -8.219 -2.021) 16.562 11.677 ( -11.332 -6.543 -1.689) 13.194 12.571 ( -11.581 -6.687 3.109) 13.730 13.108 ( -5.233 -3.021 -6.635) 8.974 13.882 ( 0.082 0.047 0.362) 0.374 15.820 ( 0.399 0.230 11.905) 11.914 17.334 ( -0.835 -0.482 -10.378) 10.423 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 15.553 8.980 5.322) 18.731 3.535 ( 22.043 12.727 7.338) 26.490 4.607 ( 6.632 3.829 -3.590) 8.457 5.001 ( 11.506 6.643 -21.172) 24.995 6.044 ( 0.468 0.270 1.120) 1.243 6.480 ( -4.349 -2.511 -2.088) 5.439 6.593 ( -7.966 -4.599 -1.324) 9.293 7.142 ( 22.276 12.861 11.123) 28.024 7.494 ( 13.164 7.600 0.409) 15.206 9.075 ( -15.924 -9.194 -9.137) 20.533 9.492 ( 2.975 1.717 4.965) 6.037 9.647 ( -11.841 -6.837 13.641) 19.314 11.440 ( -9.132 -5.272 -3.382) 11.074 12.343 ( -9.821 -5.670 2.775) 11.675 12.975 ( -4.890 -2.823 -6.849) 8.876 13.883 ( -0.140 -0.081 0.533) 0.557 15.824 ( -2.478 -1.431 7.375) 7.911 17.243 ( -4.539 -2.621 -6.860) 8.633 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( 10.549 6.090 1.795) 12.312 4.034 ( 21.788 12.579 -0.397) 25.162 4.730 ( 5.387 3.110 -1.302) 6.355 5.064 ( 0.592 0.342 -23.568) 23.578 5.959 ( -9.631 -5.561 -6.086) 12.678 6.381 ( -3.768 -2.176 -2.779) 5.163 6.431 ( -4.309 -2.488 -3.901) 6.322 7.473 ( 5.448 3.145 -0.438) 6.306 7.845 ( 17.985 10.384 9.368) 22.782 8.874 ( -1.747 -1.009 2.258) 3.028 9.507 ( -5.383 -3.108 21.609) 22.485 9.555 ( 0.919 0.531 6.843) 6.925 11.261 ( -5.762 -3.327 -4.742) 8.170 12.158 ( -7.544 -4.355 1.634) 8.863 12.846 ( -4.558 -2.631 -7.783) 9.395 13.881 ( -0.206 -0.119 0.579) 0.625 15.779 ( -2.718 -1.569 3.160) 4.454 17.103 ( -6.140 -3.545 -4.326) 8.306 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.663 ( 4.547 2.625 -0.946) 5.335 4.466 ( 17.242 9.955 -11.951) 23.221 4.838 ( 4.407 2.544 1.080) 5.202 4.914 ( -5.204 -3.005 -17.771) 18.759 5.530 ( -21.809 -12.591 -24.968) 35.462 6.299 ( -2.640 -1.524 -3.471) 4.620 6.406 ( 1.168 0.674 -0.481) 1.432 7.561 ( 3.785 2.185 0.876) 4.458 8.238 ( 12.675 7.318 13.624) 19.995 8.902 ( 0.305 0.176 12.832) 12.837 9.576 ( 4.497 2.596 23.118) 23.694 9.579 ( -0.910 -0.525 7.868) 7.938 11.159 ( -1.858 -1.073 -5.468) 5.874 12.023 ( -4.988 -2.880 0.414) 5.775 12.728 ( -3.375 -1.949 -9.164) 9.958 13.877 ( -0.315 -0.182 0.571) 0.677 15.739 ( -1.223 -0.706 0.315) 1.447 16.959 ( -5.487 -3.168 -2.863) 6.952 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( -1.051 -0.607 -1.902) 2.256 4.474 ( -8.735 -5.043 -25.050) 27.005 4.923 ( 2.470 1.426 2.102) 3.544 4.943 ( -5.730 -3.308 -19.872) 20.945 5.025 ( 2.328 1.344 -15.234) 15.469 6.248 ( -0.732 -0.422 -3.863) 3.954 6.430 ( 0.874 0.505 -1.322) 1.664 7.608 ( -1.034 -0.597 2.336) 2.623 8.459 ( 2.744 1.584 12.872) 13.256 8.970 ( 1.456 0.841 18.107) 18.185 9.569 ( -2.432 -1.404 8.016) 8.494 9.817 ( 9.825 5.672 21.512) 24.320 11.144 ( 2.213 1.278 -5.532) 6.094 11.943 ( -2.134 -1.232 -0.415) 2.499 12.648 ( -0.677 -0.391 -10.188) 10.218 13.869 ( -0.567 -0.327 0.567) 0.866 15.735 ( 0.961 0.555 -0.685) 1.304 16.853 ( -3.108 -1.795 -2.404) 4.320 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.000 16.494 29.591) 33.877 1.991 ( 0.000 19.276 24.879) 31.472 2.903 ( 0.000 10.001 42.322) 43.488 3.806 ( -0.000 2.576 -10.050) 10.374 4.117 ( -0.000 25.545 -3.885) 25.839 6.419 ( -0.000 1.479 -24.524) 24.568 6.823 ( -0.000 -2.063 -1.516) 2.560 6.833 ( 0.000 -2.106 -0.228) 2.118 8.846 ( 0.000 -13.718 -3.471) 14.150 8.979 ( -0.000 0.927 -1.729) 1.962 10.338 ( -0.000 1.942 -6.291) 6.584 11.047 ( 0.000 -59.861 22.239) 63.858 12.471 ( 0.000 -3.985 1.528) 4.268 12.985 ( -0.000 10.329 -7.272) 12.632 13.743 ( -0.000 -6.669 -2.385) 7.083 13.772 ( -0.000 -0.513 -0.611) 0.798 14.660 ( -0.000 49.920 -0.045) 49.920 17.173 ( -0.000 -5.819 -3.679) 6.885 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -0.512 25.706 22.395) 34.097 2.259 ( 1.808 13.566 28.962) 32.032 3.342 ( 23.254 15.794 13.619) 31.236 3.931 ( 11.871 4.390 -7.760) 14.846 4.477 ( 11.609 30.181 5.965) 32.883 6.364 ( -0.583 5.010 -22.510) 23.068 6.783 ( -1.906 -2.511 -1.683) 3.574 6.788 ( -1.547 -2.473 -1.110) 3.121 8.388 ( -29.979 -13.896 1.430) 33.074 9.063 ( 6.058 0.018 -1.928) 6.357 10.268 ( -2.636 -15.887 1.365) 16.162 10.600 ( -5.393 -24.246 8.429) 26.230 12.329 ( -9.586 -4.604 1.078) 10.689 13.013 ( -0.355 -2.516 -5.196) 5.784 13.560 ( -9.533 -8.555 -2.368) 13.026 13.800 ( 3.236 -1.629 -0.978) 3.753 15.288 ( 14.714 37.661 5.111) 40.755 17.134 ( 5.617 -7.002 -8.203) 12.160 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 4.677 26.913 15.690) 31.501 2.549 ( 7.319 13.263 27.389) 31.300 3.927 ( 26.790 14.421 -13.124) 33.135 4.162 ( 11.491 7.699 -7.267) 15.625 5.099 ( 23.614 26.506 18.876) 40.206 6.359 ( 0.587 8.342 -18.258) 20.082 6.704 ( -2.771 -4.109 -0.304) 4.966 6.762 ( 0.654 1.263 -2.040) 2.487 7.773 ( -29.608 -8.423 6.451) 31.451 9.163 ( 7.475 -1.655 -0.694) 7.687 10.002 ( -4.935 -26.295 10.022) 28.570 10.357 ( -10.975 -5.314 -11.234) 16.580 12.107 ( -12.296 -4.001 1.107) 12.977 12.901 ( -6.302 -7.084 -0.286) 9.486 13.303 ( -8.304 -9.186 -4.449) 13.157 13.838 ( 3.096 -1.075 -0.739) 3.360 15.758 ( 4.467 19.953 13.302) 24.393 17.165 ( 9.274 -6.244 -13.518) 17.542 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 8.509 24.756 11.486) 28.587 2.934 ( 12.711 15.232 19.455) 27.786 4.316 ( 13.409 4.965 -11.889) 18.596 4.470 ( 18.021 15.013 -16.373) 28.605 5.778 ( 20.010 17.808 18.905) 32.786 6.421 ( 5.637 4.730 -10.576) 12.884 6.630 ( -1.355 -0.888 -1.530) 2.228 6.841 ( 3.025 6.587 1.083) 7.329 7.359 ( -15.676 -0.215 7.627) 17.435 9.264 ( 7.792 -5.721 2.413) 9.963 9.671 ( -11.075 -19.847 -0.429) 22.732 10.044 ( -13.112 -7.820 -8.249) 17.353 11.857 ( -14.387 -2.539 0.886) 14.636 12.685 ( -10.089 -8.941 3.660) 13.968 13.106 ( -3.705 -7.795 -6.562) 10.842 13.875 ( 1.898 0.633 -0.439) 2.048 15.934 ( -4.030 8.885 14.436) 17.424 17.201 ( 7.388 -7.163 -13.114) 16.669 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 7.996 23.163 7.147) 25.526 3.372 ( 16.474 14.424 11.599) 24.779 4.503 ( 9.105 3.921 -7.646) 12.519 4.829 ( 13.708 14.638 -17.669) 26.728 6.072 ( 0.044 6.094 1.734) 6.336 6.468 ( 0.675 -6.045 0.461) 6.100 6.679 ( -2.731 -0.182 -3.047) 4.096 7.008 ( 12.029 15.784 12.637) 23.528 7.381 ( 8.190 7.717 2.313) 11.488 9.171 ( -11.668 -17.287 -3.013) 21.072 9.391 ( 1.507 -6.473 -4.649) 8.111 9.799 ( -6.308 -6.858 6.082) 11.127 11.599 ( -14.258 -1.353 0.278) 14.325 12.448 ( -9.895 -8.187 4.208) 13.514 12.967 ( -2.420 -6.832 -7.232) 10.239 13.910 ( 0.218 3.289 -0.193) 3.302 15.931 ( -7.025 2.633 10.456) 12.869 17.172 ( 3.023 -9.142 -9.620) 13.611 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( 4.272 19.970 3.324) 20.691 3.820 ( 18.460 12.518 3.453) 22.570 4.653 ( 7.251 3.752 -5.083) 9.617 5.047 ( 2.401 13.681 -18.284) 22.961 6.043 ( -6.474 -1.011 -2.541) 7.028 6.405 ( -1.980 -3.387 -0.871) 4.019 6.505 ( -10.171 -2.592 -4.632) 11.473 7.410 ( 8.443 6.830 5.408) 12.132 7.663 ( 17.352 9.179 5.399) 20.360 8.887 ( -3.366 -5.489 -1.008) 6.517 9.341 ( 3.640 -15.928 8.818) 18.566 9.745 ( -1.285 1.543 8.332) 8.570 11.378 ( -11.502 0.527 -0.537) 11.527 12.233 ( -8.419 -7.552 3.455) 11.826 12.839 ( -2.602 -5.970 -8.190) 10.464 13.944 ( -1.764 6.541 0.027) 6.775 15.848 ( -6.409 -1.178 5.666) 8.635 17.071 ( -0.212 -10.422 -6.340) 12.201 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( -0.449 14.962 0.129) 14.969 4.222 ( 17.151 8.608 -5.830) 20.056 4.782 ( 5.298 4.591 -4.830) 8.513 5.058 ( -8.574 14.030 -14.090) 21.654 5.718 ( -22.129 -9.596 -20.509) 31.660 6.303 ( -4.432 -4.190 -1.284) 6.233 6.410 ( 0.134 0.911 -0.241) 0.952 7.523 ( 3.800 3.360 -0.106) 5.074 8.088 ( 17.781 5.546 13.053) 22.744 8.914 ( 3.569 0.549 9.829) 10.471 9.314 ( 8.679 -16.339 13.862) 23.118 9.798 ( -0.006 4.958 8.248) 9.624 11.236 ( -7.705 4.093 -1.157) 8.801 12.050 ( -5.726 -8.067 2.526) 10.210 12.713 ( -2.514 -4.936 -9.659) 11.135 13.975 ( -4.032 9.600 0.260) 10.416 15.754 ( -3.385 -3.266 1.856) 5.057 16.939 ( -1.206 -10.384 -4.020) 11.200 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.784 ( -4.759 9.606 -1.484) 10.822 4.432 ( 3.264 2.417 -18.045) 18.497 4.869 ( 2.752 4.949 -6.431) 8.569 5.057 ( -4.163 17.679 -1.342) 18.212 5.132 ( -23.225 -8.588 -29.245) 38.320 6.205 ( -1.285 -5.558 -1.063) 5.803 6.437 ( 0.688 1.835 -0.158) 1.966 7.614 ( 2.061 1.700 2.326) 3.542 8.393 ( 10.445 -1.088 12.900) 16.634 9.000 ( 1.871 -0.986 15.401) 15.546 9.411 ( 11.778 -10.911 13.221) 20.798 9.892 ( 2.619 5.041 8.491) 10.216 11.195 ( -4.419 9.003 -1.256) 10.108 11.913 ( -1.641 -8.917 1.954) 9.275 12.606 ( -0.967 -3.664 -10.986) 11.622 13.992 ( -6.262 11.306 0.458) 12.933 15.700 ( 0.799 -3.425 -0.308) 3.530 16.820 ( -0.161 -9.213 -2.598) 9.574 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 0.000 26.365 25.640) 36.777 2.484 ( 0.000 18.079 13.184) 22.376 3.346 ( 0.000 17.696 12.707) 21.786 3.859 ( -0.000 9.253 -7.312) 11.793 4.704 ( -0.000 31.669 6.640) 32.358 6.371 ( -0.000 10.808 -21.315) 23.898 6.767 ( -0.000 -2.263 -1.944) 2.983 6.767 ( 0.000 -4.511 -0.497) 4.539 8.486 ( -0.000 -19.272 -9.270) 21.385 9.031 ( -0.000 4.870 0.711) 4.922 10.033 ( 0.000 -38.002 13.511) 40.332 10.509 ( 0.000 -4.262 0.757) 4.329 12.330 ( 0.000 -10.651 -1.101) 10.707 12.976 ( -0.000 -3.391 -3.273) 4.713 13.525 ( -0.000 -13.339 -4.269) 14.005 13.778 ( 0.000 0.936 0.845) 1.261 15.586 ( -0.000 41.905 4.352) 42.130 16.966 ( -0.000 -11.966 -5.392) 13.125 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -0.958 22.562 10.013) 24.703 2.714 ( 1.879 19.832 25.297) 32.199 3.686 ( 15.015 19.371 -8.478) 25.934 4.036 ( 10.090 10.804 -4.890) 15.570 5.125 ( 11.922 28.359 13.217) 33.482 6.423 ( -1.513 15.143 -17.802) 23.420 6.698 ( -2.024 -5.524 -0.207) 5.887 6.749 ( 0.925 -0.000 -0.891) 1.285 8.108 ( -17.890 -14.649 -5.592) 23.789 9.072 ( 0.292 1.581 1.661) 2.311 9.751 ( 2.589 -33.439 12.546) 35.808 10.438 ( -6.504 -1.569 -7.660) 10.170 12.183 ( -3.723 -10.351 -0.977) 11.044 12.907 ( -2.635 -6.048 -0.334) 6.605 13.312 ( -6.749 -14.530 -4.377) 16.608 13.794 ( 0.916 1.158 0.318) 1.510 15.992 ( 1.680 29.078 10.223) 30.868 16.885 ( 7.225 -12.342 -9.053) 16.926 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 5.686 17.867 13.074) 22.858 3.057 ( 4.153 25.497 16.159) 30.470 4.066 ( 16.058 12.335 -18.928) 27.718 4.329 ( 13.279 14.420 -5.489) 20.357 5.687 ( 19.279 20.424 16.799) 32.726 6.448 ( -4.170 8.316 -11.766) 15.000 6.622 ( -0.587 -3.128 -0.735) 3.267 6.838 ( 5.102 8.682 1.465) 10.176 7.687 ( -19.049 -4.426 1.580) 19.620 9.096 ( 4.192 -6.071 3.199) 8.041 9.537 ( 0.094 -23.447 3.877) 23.765 10.182 ( -15.148 -5.678 -12.778) 20.615 12.018 ( -6.922 -6.409 0.762) 9.464 12.761 ( -7.424 -8.368 4.101) 11.915 13.054 ( -4.752 -12.702 -6.107) 14.873 13.839 ( 2.700 1.808 -0.431) 3.278 16.202 ( -7.159 14.955 15.905) 22.975 16.897 ( 11.645 -11.558 -13.556) 21.283 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 10.666 17.229 9.396) 22.336 3.429 ( 4.469 26.713 11.381) 29.378 4.320 ( 12.573 5.399 -15.359) 20.570 4.710 ( 14.903 18.485 -7.961) 25.044 6.129 ( 7.090 9.338 7.077) 13.695 6.391 ( -0.886 -3.951 -1.018) 4.175 6.657 ( 4.400 3.951 -2.284) 6.339 7.055 ( 6.145 12.226 7.807) 15.754 7.461 ( -8.069 5.579 3.811) 10.524 9.081 ( 1.861 -15.581 6.796) 17.100 9.314 ( -4.296 -11.224 -12.271) 17.176 9.837 ( -10.499 -8.620 -5.511) 14.660 11.822 ( -11.739 -3.043 2.343) 12.351 12.551 ( -9.716 -7.843 5.931) 13.824 12.882 ( -0.646 -10.477 -7.258) 12.761 13.913 ( 3.145 3.910 -0.739) 5.072 16.179 ( -12.340 5.978 13.525) 19.260 16.920 ( 9.415 -12.940 -11.559) 19.741 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 11.087 16.846 1.425) 20.217 3.771 ( 3.108 23.913 9.236) 25.822 4.517 ( 11.105 4.645 -9.909) 15.591 5.075 ( 9.141 19.812 -9.146) 23.658 6.158 ( -7.449 2.514 -2.361) 8.209 6.358 ( 2.127 -6.919 2.663) 7.713 6.653 ( -8.382 0.125 -3.237) 8.986 7.368 ( 11.387 9.874 15.929) 21.929 7.532 ( 6.274 7.785 -2.108) 10.218 8.881 ( -5.644 -10.132 -0.981) 11.639 9.171 ( 2.084 -11.968 -3.466) 12.633 9.697 ( 2.123 -6.836 1.167) 7.253 11.608 ( -12.765 0.300 3.755) 13.309 12.336 ( -10.358 -6.484 5.337) 13.335 12.763 ( -0.029 -8.694 -7.989) 11.807 14.011 ( 2.350 7.575 -0.741) 7.966 16.031 ( -13.068 0.671 8.509) 15.609 16.876 ( 5.581 -15.116 -7.937) 17.962 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.909 ( 0.267 17.206 -3.885) 17.641 4.076 ( 9.364 14.579 4.495) 17.901 4.718 ( 8.354 8.853 -6.934) 14.009 5.295 ( -2.654 21.284 -10.032) 23.679 5.920 ( -17.909 -6.575 -13.588) 23.422 6.332 ( -0.557 -5.480 2.849) 6.201 6.461 ( -9.187 0.247 -0.528) 9.206 7.516 ( 1.016 4.344 -0.227) 4.467 7.859 ( 19.057 3.164 11.433) 22.447 8.854 ( 6.434 -0.657 7.396) 9.825 9.099 ( 3.994 -13.110 4.735) 14.500 9.723 ( 7.059 -6.385 -0.306) 9.523 11.457 ( -10.178 5.765 5.059) 12.745 12.116 ( -10.091 -7.416 4.480) 13.300 12.654 ( -0.935 -6.694 -9.428) 11.601 14.126 ( 0.032 12.272 -0.439) 12.280 15.838 ( -10.405 -3.355 4.045) 11.657 16.776 ( 3.443 -16.009 -5.079) 17.144 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( -5.585 11.063 -3.393) 12.849 4.357 ( 7.906 11.620 -3.293) 14.436 4.884 ( 1.772 11.397 -9.199) 14.754 5.357 ( -13.635 13.468 -13.632) 23.518 5.395 ( -21.882 2.317 -17.378) 28.039 6.218 ( -5.636 -5.594 3.752) 8.782 6.426 ( 1.253 -0.437 2.868) 3.161 7.593 ( 3.272 2.633 1.524) 4.468 8.188 ( 15.697 -4.492 12.125) 20.337 8.984 ( 3.065 -2.563 8.696) 9.570 9.156 ( 13.348 -5.700 11.912) 18.776 9.781 ( 8.583 -7.915 -2.845) 12.017 11.424 ( -6.935 13.031 6.064) 15.958 11.899 ( -7.381 -9.801 4.120) 12.943 12.542 ( -1.262 -5.254 -11.107) 12.351 14.231 ( -4.394 16.401 0.106) 16.980 15.674 ( -4.286 -5.911 0.829) 7.348 16.665 ( 3.329 -15.409 -3.030) 16.053 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( -0.000 14.857 2.300) 15.034 2.986 ( 0.000 19.008 23.482) 30.211 3.763 ( -0.000 25.426 -10.840) 27.640 4.053 ( -0.000 13.597 -2.494) 13.824 5.326 ( 0.000 25.624 11.677) 28.160 6.544 ( -0.000 14.020 -12.729) 18.937 6.660 ( 0.000 -6.210 -0.321) 6.218 6.749 ( -0.000 5.793 -0.726) 5.839 8.016 ( -0.000 -19.886 -14.930) 24.867 9.171 ( 0.000 8.287 3.000) 8.813 9.442 ( 0.000 -31.912 16.017) 35.706 10.469 ( -0.000 -0.481 -7.283) 7.299 12.064 ( 0.000 -15.124 -3.325) 15.485 12.873 ( 0.000 -6.090 0.911) 6.157 13.200 ( -0.000 -16.617 -5.180) 17.405 13.812 ( 0.000 1.473 1.767) 2.301 16.281 ( -0.000 26.757 5.252) 27.268 16.675 ( 0.000 -14.586 -2.342) 14.773 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 4.658 14.581 4.452) 15.941 3.251 ( 4.351 17.308 15.304) 23.510 4.001 ( 4.242 22.202 -15.608) 27.469 4.264 ( 9.456 14.825 -1.501) 17.648 5.678 ( 10.201 19.917 11.912) 25.350 6.551 ( -4.267 -0.569 -3.825) 5.758 6.583 ( 0.405 -5.337 1.050) 5.454 6.903 ( 2.196 20.591 -2.958) 20.918 7.769 ( -3.235 -13.294 -11.662) 17.977 9.099 ( -7.485 -8.375 10.424) 15.324 9.338 ( 3.267 -9.415 3.869) 10.690 10.326 ( -11.735 -3.965 -11.676) 17.022 11.938 ( 3.186 -13.522 -2.311) 14.083 12.792 ( -3.288 -6.882 3.287) 8.305 12.978 ( -4.666 -16.259 -4.992) 17.637 13.835 ( 0.668 2.277 1.126) 2.626 16.505 ( -1.087 16.932 4.702) 17.606 16.570 ( 3.859 -14.300 -0.992) 14.845 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 7.957 14.678 7.918) 18.478 3.593 ( 10.755 20.434 7.561) 24.298 4.188 ( 4.385 13.051 -14.677) 20.124 4.625 ( 14.726 18.191 -1.745) 23.469 6.052 ( 11.915 8.202 8.213) 16.634 6.426 ( -5.205 -4.925 0.180) 7.168 6.601 ( 4.572 -0.927 2.174) 5.147 7.137 ( 2.291 18.721 2.865) 19.077 7.608 ( -3.563 -1.725 -5.417) 6.709 8.958 ( -1.398 -11.322 7.294) 13.541 9.270 ( -4.917 -3.689 -4.195) 7.442 9.967 ( -17.013 -7.413 -12.500) 22.375 11.868 ( 0.511 -9.237 -0.319) 9.257 12.649 ( -7.653 -7.202 7.245) 12.765 12.756 ( -1.389 -13.496 -6.767) 15.162 13.898 ( 2.966 4.290 0.127) 5.217 16.469 ( -6.673 -5.070 10.570) 13.490 16.609 ( 4.853 -2.196 -7.379) 9.101 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 9.811 13.552 4.497) 17.324 4.014 ( 7.337 26.490 7.767) 28.563 4.330 ( 9.315 5.359 -12.177) 16.241 5.051 ( 14.441 19.854 -2.104) 24.640 6.225 ( 5.875 -7.524 5.704) 11.120 6.296 ( -6.859 -0.647 -1.070) 6.973 6.697 ( 3.457 -0.127 0.681) 3.526 7.350 ( 5.203 9.356 12.664) 16.582 7.589 ( -1.533 8.188 -4.875) 9.652 8.865 ( -1.826 -7.196 0.745) 7.461 9.072 ( -7.450 -6.729 -9.886) 14.090 9.660 ( -6.955 -6.213 -3.791) 10.067 11.757 ( -5.309 -4.959 1.714) 7.464 12.468 ( -9.544 -6.183 6.357) 13.028 12.627 ( 2.024 -10.448 -6.153) 12.293 14.016 ( 4.698 7.310 -0.460) 8.702 16.303 ( -12.821 -2.699 8.667) 15.709 16.593 ( 5.080 -12.527 -6.856) 15.157 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.899 ( 9.464 11.649 -1.780) 15.114 4.272 ( -3.529 17.263 5.978) 18.607 4.611 ( 15.651 14.567 -6.447) 22.332 5.436 ( 8.294 21.620 -3.703) 23.450 6.075 ( -11.372 -9.182 -5.044) 15.462 6.258 ( 1.461 -5.655 3.934) 7.041 6.644 ( -8.780 -0.176 -0.723) 8.811 7.562 ( 2.263 3.406 6.621) 7.782 7.650 ( 8.141 4.139 1.335) 9.230 8.795 ( 0.775 0.244 2.353) 2.490 8.942 ( 2.358 -8.030 -4.282) 9.400 9.561 ( 1.732 -6.732 -1.155) 7.047 11.647 ( -5.803 1.023 4.110) 7.184 12.245 ( -11.023 -8.246 4.119) 14.370 12.562 ( 1.107 -5.814 -6.134) 8.524 14.188 ( 5.355 11.370 -0.611) 12.583 16.057 ( -15.989 -3.004 5.478) 17.166 16.510 ( 5.348 -17.931 -5.216) 19.425 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.088 ( 1.876 9.079 -6.512) 11.330 4.391 ( 2.289 9.299 6.523) 11.587 4.962 ( 5.721 22.353 -7.679) 24.317 5.637 ( -18.124 0.592 -17.920) 25.494 5.713 ( -7.059 15.842 -5.023) 18.056 6.226 ( 0.482 -8.758 7.160) 11.323 6.483 ( -8.397 0.058 3.313) 9.027 7.587 ( 0.219 2.741 -0.977) 2.918 7.894 ( 16.088 -7.338 10.911) 20.778 8.902 ( 4.515 -3.798 0.379) 5.913 8.965 ( 10.576 1.639 7.025) 12.802 9.543 ( 5.669 -9.545 -2.975) 11.493 11.634 ( -2.827 7.915 6.531) 10.644 11.983 ( -10.849 -10.138 2.769) 15.105 12.492 ( -1.884 -3.309 -7.648) 8.543 14.397 ( 3.643 16.226 -0.314) 16.633 15.774 ( -13.989 -5.351 2.275) 15.150 16.407 ( 5.834 -19.352 -3.269) 20.475 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -0.000 13.253 -2.689) 13.523 3.395 ( 0.000 12.004 13.150) 17.805 4.168 ( -0.000 23.641 -10.535) 25.882 4.311 ( -0.000 13.478 -0.171) 13.479 5.811 ( 0.000 17.198 7.930) 18.938 6.519 ( 0.000 -10.208 7.234) 12.511 6.534 ( 0.000 -6.741 0.521) 6.761 7.117 ( -0.000 27.266 -5.328) 27.781 7.602 ( -0.000 -10.458 -15.424) 18.636 9.052 ( 0.000 -17.075 9.272) 19.430 9.370 ( 0.000 9.579 3.472) 10.189 10.364 ( -0.000 -4.001 -11.936) 12.589 11.732 ( 0.000 -16.387 -3.815) 16.825 12.752 ( 0.000 -8.227 -1.249) 8.321 12.859 ( 0.000 -15.050 0.769) 15.070 13.850 ( 0.000 1.139 1.690) 2.039 16.337 ( -0.000 -11.330 -11.562) 16.188 16.743 ( 0.000 10.224 16.010) 18.996 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( 9.148 13.417 0.286) 16.241 3.586 ( 6.453 12.122 5.504) 14.795 4.307 ( -2.595 16.577 -6.090) 17.850 4.559 ( 12.129 15.166 0.776) 19.435 6.003 ( 5.007 5.988 4.562) 9.041 6.423 ( -1.658 -9.531 6.477) 11.642 6.504 ( 3.704 -6.732 6.028) 9.766 7.325 ( -0.576 15.294 1.629) 15.392 7.549 ( 3.101 6.762 -15.736) 17.406 8.931 ( -2.582 -7.428 4.515) 9.067 9.404 ( -7.501 7.022 1.060) 10.330 10.134 ( -14.932 -6.550 -14.094) 21.552 11.656 ( 8.698 -13.695 -2.841) 16.470 12.619 ( -1.344 -13.219 -7.404) 15.210 12.717 ( -4.991 -8.586 9.231) 13.559 13.888 ( 2.651 2.400 1.084) 3.737 16.241 ( 5.585 -13.260 -8.422) 16.672 16.807 ( -7.240 5.742 12.486) 15.533 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 8.550 13.086 4.904) 16.383 3.925 ( 19.536 13.295 -2.350) 23.747 4.389 ( -2.700 13.262 -1.451) 13.611 4.959 ( 17.034 15.418 2.288) 23.089 6.064 ( 4.160 -12.900 7.926) 15.702 6.359 ( -1.830 -1.540 2.304) 3.321 6.570 ( 7.892 -5.368 4.682) 10.631 7.420 ( 1.743 3.576 6.843) 7.915 7.673 ( -0.229 18.288 -12.650) 22.239 8.859 ( -2.661 0.185 -0.955) 2.833 9.237 ( -16.430 0.697 -5.624) 17.379 9.771 ( -14.036 -4.678 -7.755) 16.704 11.676 ( 6.574 -9.180 -2.543) 11.574 12.453 ( -0.118 -13.226 -6.480) 14.728 12.585 ( -6.060 -5.810 9.737) 12.856 13.998 ( 5.533 5.905 0.458) 8.105 16.183 ( 6.237 -15.418 -5.793) 17.612 16.701 ( -13.342 1.003 8.560) 15.883 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.872 ( 7.607 11.685 3.400) 14.352 4.347 ( 12.664 4.875 -9.159) 16.371 4.540 ( 8.089 21.823 7.830) 24.556 5.407 ( 16.918 16.467 2.179) 23.709 5.991 ( 2.601 -19.725 11.006) 22.737 6.297 ( -5.869 -0.188 -3.253) 6.713 6.639 ( 5.037 -6.417 0.347) 8.165 7.525 ( 4.415 1.982 8.536) 9.813 7.738 ( -6.018 12.763 -10.757) 17.743 8.837 ( -1.676 5.178 -5.881) 8.013 8.936 ( -11.900 -2.836 -2.818) 12.554 9.559 ( -7.084 -2.656 -0.902) 7.619 11.676 ( 2.090 -3.074 -1.476) 3.999 12.281 ( -4.340 -13.795 -2.887) 14.747 12.505 ( -1.158 -3.067 5.016) 5.992 14.184 ( 7.384 10.259 0.111) 12.640 16.102 ( 3.914 -16.204 -3.316) 16.996 16.460 ( -16.017 -3.841 4.547) 17.087 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.098 ( 5.849 10.132 -0.000) 11.699 4.434 ( 1.384 2.397 0.000) 2.767 5.021 ( 14.283 24.739 -0.000) 28.567 5.786 ( -3.051 -5.284 -0.000) 6.102 5.842 ( 5.287 9.157 -0.000) 10.573 6.160 ( -3.413 -5.911 0.000) 6.826 6.600 ( -2.909 -5.038 -0.000) 5.818 7.629 ( 0.821 1.422 -0.000) 1.643 7.685 ( -0.334 -0.579 -0.000) 0.668 8.827 ( -0.592 -1.025 0.000) 1.184 8.896 ( 4.314 7.472 -0.000) 8.628 9.444 ( -2.733 -4.734 -0.000) 5.466 11.708 ( 2.244 3.887 -0.000) 4.489 12.030 ( -8.407 -14.561 -0.000) 16.814 12.486 ( -0.818 -1.416 0.000) 1.635 14.437 ( 8.530 14.775 -0.000) 17.060 15.962 ( -6.181 -10.706 -0.000) 12.362 16.170 ( -7.620 -13.199 -0.000) 15.241 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( -0.000 11.811 -2.601) 12.094 3.677 ( 0.000 12.326 5.674) 13.570 4.496 ( -0.000 13.435 1.166) 13.486 4.546 ( -0.000 11.087 -0.281) 11.090 5.984 ( 0.000 -8.184 6.580) 10.501 6.376 ( 0.000 -7.035 10.957) 13.021 6.416 ( 0.000 -6.232 1.719) 6.464 7.365 ( 0.000 -0.045 1.644) 1.645 7.681 ( -0.000 28.199 -14.812) 31.852 8.924 ( -0.000 0.298 -0.682) 0.744 9.558 ( -0.000 7.833 1.162) 7.918 10.165 ( -0.000 -6.503 -16.418) 17.659 11.414 ( 0.000 -14.121 -1.965) 14.257 12.481 ( -0.000 -13.116 -6.951) 14.844 12.715 ( 0.000 -7.657 10.357) 12.880 13.875 ( 0.000 0.551 0.997) 1.140 16.057 ( -0.000 -10.652 -7.164) 12.837 16.946 ( 0.000 1.774 11.391) 11.528 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.546 ( 12.465 10.826 -0.153) 16.511 3.847 ( 4.353 13.051 3.530) 14.204 4.546 ( -2.749 10.038 1.929) 10.585 4.815 ( 14.829 9.468 3.858) 18.012 5.881 ( 2.249 -22.590 14.574) 26.977 6.361 ( 0.285 -1.984 3.270) 3.836 6.418 ( 4.783 -4.635 2.553) 7.133 7.411 ( 2.403 3.343 2.256) 4.695 7.881 ( -2.313 25.262 -12.794) 28.411 8.929 ( -2.257 6.118 -4.730) 8.055 9.505 ( -13.797 3.119 -4.751) 14.922 9.932 ( -11.685 -3.944 -11.561) 16.904 11.399 ( 11.454 -10.698 -2.417) 15.858 12.323 ( -1.565 -12.276 -5.809) 13.672 12.646 ( -3.874 -6.554 10.964) 13.348 13.938 ( 6.181 2.173 0.592) 6.578 15.962 ( 2.421 -10.703 -5.346) 12.206 16.914 ( -8.037 -1.450 8.820) 12.020 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.861 ( 10.321 8.890 5.386) 14.648 4.124 ( 14.616 11.479 -4.214) 19.056 4.647 ( 2.450 11.335 6.426) 13.258 5.217 ( 20.876 8.545 5.540) 23.228 5.757 ( 4.689 -25.926 18.468) 32.175 6.347 ( -1.371 -2.652 -0.054) 2.986 6.466 ( 5.501 -4.791 -1.355) 7.420 7.504 ( 3.104 4.185 1.811) 5.516 7.976 ( -7.403 18.533 -11.423) 22.995 8.931 ( -3.491 8.628 -7.843) 12.172 9.172 ( -19.155 -1.478 -9.254) 21.325 9.718 ( -11.472 1.284 0.117) 11.544 11.508 ( 11.354 -5.276 -4.877) 13.437 12.163 ( -1.222 -12.851 -5.134) 13.893 12.553 ( -4.514 -4.848 10.736) 12.615 14.122 ( 10.470 6.380 0.401) 12.268 15.877 ( 2.366 -12.575 -3.703) 13.321 16.721 ( -14.913 -3.512 5.901) 16.419 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( -0.000 8.913 -0.583) 8.932 3.975 ( 0.000 14.248 8.175) 16.426 4.692 ( 0.000 3.833 8.833) 9.629 4.728 ( -0.000 8.384 -1.118) 8.458 5.667 ( 0.000 -29.420 21.582) 36.487 6.323 ( 0.000 -5.040 2.806) 5.768 6.377 ( 0.000 0.605 1.055) 1.216 7.448 ( -0.000 6.791 0.975) 6.861 8.096 ( -0.000 23.339 -13.158) 26.792 8.998 ( -0.000 8.334 -8.580) 11.961 9.664 ( -0.000 3.655 -3.352) 4.959 9.929 ( -0.000 -4.426 -19.444) 19.942 11.190 ( 0.000 -8.799 1.805) 8.982 12.217 ( -0.000 -10.224 -4.591) 11.208 12.654 ( 0.000 -6.268 11.251) 12.879 13.885 ( 0.000 0.076 0.203) 0.216 15.849 ( -0.000 -7.084 -3.629) 7.960 16.983 ( 0.000 -3.746 7.213) 8.128 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 12.828 6.112 0.611) 14.223 4.147 ( 1.317 13.471 9.485) 16.528 4.724 ( 0.447 6.113 5.693) 8.365 4.968 ( 16.573 3.970 4.343) 17.586 5.486 ( 3.547 -30.078 25.127) 39.353 6.292 ( 0.525 -5.518 1.213) 5.674 6.407 ( 1.803 1.179 0.300) 2.175 7.526 ( 1.023 6.713 -0.564) 6.814 8.219 ( -4.622 18.289 -12.715) 22.749 9.023 ( -1.857 7.035 -11.595) 13.689 9.450 ( -19.327 -0.121 -12.985) 23.285 9.868 ( -2.379 2.316 -6.021) 6.876 11.234 ( 11.434 -5.152 -0.720) 12.562 12.081 ( -3.377 -9.525 -3.846) 10.813 12.608 ( -3.116 -5.148 11.404) 12.894 13.976 ( 10.173 1.500 -0.018) 10.283 15.773 ( -1.011 -6.190 -2.060) 6.602 16.893 ( -8.112 -4.885 5.074) 10.743 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.652 ( -0.000 4.373 1.252) 4.548 4.313 ( 0.000 10.208 18.330) 20.981 4.786 ( 0.000 1.807 7.772) 7.979 4.853 ( -0.000 5.773 -1.837) 6.058 5.258 ( 0.000 -29.068 28.704) 40.852 6.264 ( 0.000 -3.289 3.531) 4.825 6.400 ( 0.000 1.217 0.736) 1.422 7.577 ( -0.000 5.714 -2.005) 6.055 8.374 ( -0.000 14.518 -13.327) 19.707 9.045 ( -0.000 3.822 -15.386) 15.853 9.655 ( -0.000 -0.496 -7.178) 7.196 9.791 ( -0.000 4.530 -19.851) 20.362 11.106 ( 0.000 -2.582 4.983) 5.612 12.034 ( -0.000 -6.476 -2.044) 6.791 12.627 ( 0.000 -4.221 11.094) 11.870 13.882 ( -0.000 -0.290 -0.361) 0.463 15.743 ( 0.000 -2.541 -0.602) 2.612 16.925 ( 0.000 -5.413 3.794) 6.610 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.000 -0.000 28.742) 28.742 1.791 ( 0.000 -0.000 28.742) 28.742 2.990 ( 0.000 -0.000 53.430) 53.430 3.782 ( -0.000 0.000 -10.238) 10.238 3.782 ( -0.000 0.000 -10.238) 10.238 6.322 ( -0.000 0.000 -27.909) 27.909 6.851 ( -0.000 0.000 -0.053) 0.053 6.851 ( -0.000 0.000 -0.053) 0.053 8.983 ( -0.000 0.000 -2.545) 2.545 8.983 ( -0.000 0.000 -2.545) 2.545 10.284 ( -0.000 0.000 -4.240) 4.240 12.175 ( 0.000 -0.000 8.319) 8.319 12.492 ( 0.000 -0.000 2.453) 2.453 12.492 ( 0.000 -0.000 2.453) 2.453 13.789 ( -0.000 0.000 -1.165) 1.165 13.789 ( -0.000 0.000 -1.165) 1.165 14.074 ( -0.000 0.000 -0.550) 0.550 17.219 ( -0.000 0.000 -1.366) 1.366 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 3.151 1.819 27.282) 27.523 2.159 ( 12.493 7.213 28.482) 31.928 3.201 ( 9.120 5.266 24.301) 26.485 3.865 ( 7.264 4.194 -9.602) 12.749 4.013 ( 23.217 13.404 6.260) 27.530 6.235 ( 0.685 0.396 -27.030) 27.041 6.818 ( -2.716 -1.568 -0.832) 3.245 6.825 ( -2.034 -1.174 -0.093) 2.351 8.679 ( -24.564 -14.182 1.824) 28.422 9.038 ( 4.049 2.338 -2.721) 5.410 10.301 ( 1.615 0.932 -4.765) 5.117 11.284 ( -41.495 -23.957 13.500) 49.780 12.396 ( -7.195 -4.154 2.685) 8.731 12.965 ( 8.501 4.908 -5.422) 11.214 13.675 ( -8.476 -4.893 -0.854) 9.824 13.819 ( 1.665 0.961 -1.267) 2.303 14.638 ( 40.267 23.248 0.936) 46.506 17.189 ( -1.124 -0.649 -4.112) 4.312 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 12.293 7.097 21.637) 25.877 2.479 ( 8.559 4.941 31.836) 33.334 3.603 ( 23.870 13.781 -11.595) 29.902 4.025 ( 9.553 5.516 -8.423) 13.879 4.708 ( 32.800 18.937 21.542) 43.572 6.191 ( 3.330 1.923 -22.661) 22.985 6.754 ( -1.852 -1.069 -1.555) 2.644 6.763 ( -3.449 -1.991 -0.373) 4.000 8.050 ( -30.289 -17.487 8.097) 35.899 9.140 ( 5.761 3.326 -2.195) 7.006 10.274 ( -3.589 -2.072 -1.578) 4.435 10.588 ( -26.338 -15.206 3.023) 30.563 12.202 ( -10.832 -6.254 2.275) 12.713 12.979 ( -3.281 -1.894 -3.319) 5.037 13.441 ( -11.382 -6.571 -1.650) 13.246 13.850 ( 1.404 0.811 -1.021) 1.916 15.431 ( 26.527 15.316 8.356) 31.751 17.170 ( 2.067 1.194 -11.087) 11.341 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 16.374 9.454 15.413) 24.394 2.800 ( 12.253 7.074 26.194) 29.771 4.092 ( 24.459 14.121 -23.818) 36.945 4.217 ( 9.888 5.709 -6.941) 13.362 5.502 ( 29.655 17.121 21.676) 40.526 6.255 ( 9.118 5.264 -14.901) 18.245 6.674 ( -4.353 -2.513 -0.871) 5.101 6.762 ( 3.156 1.822 -0.670) 3.706 7.502 ( -20.568 -11.875 10.008) 25.773 9.272 ( 6.499 3.752 -0.918) 7.560 10.023 ( -24.417 -14.097 -2.574) 28.311 10.156 ( -8.018 -4.629 -1.566) 9.390 11.946 ( -12.610 -7.280 1.329) 14.621 12.834 ( -9.294 -5.366 1.524) 10.839 13.207 ( -8.235 -4.754 -4.567) 10.549 13.872 ( 0.834 0.481 -0.645) 1.159 15.840 ( 8.101 4.677 14.486) 17.244 17.200 ( 3.995 2.306 -15.257) 15.939 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 16.439 9.491 10.001) 21.455 3.190 ( 16.200 9.353 17.401) 25.548 4.406 ( 8.912 5.145 -5.137) 11.501 4.504 ( 19.699 11.373 -23.440) 32.663 5.971 ( 8.111 4.683 2.660) 9.736 6.569 ( -4.742 -2.738 -1.524) 5.684 6.585 ( 18.137 10.471 0.712) 20.955 6.836 ( 3.794 2.191 7.629) 8.798 7.296 ( 1.440 0.831 5.775) 6.009 9.412 ( 5.979 3.452 1.043) 6.983 9.445 ( -23.786 -13.733 -13.751) 30.716 9.975 ( -9.818 -5.668 10.983) 15.784 11.668 ( -12.344 -7.127 -0.102) 14.253 12.606 ( -11.451 -6.611 3.988) 13.811 13.041 ( -5.543 -3.200 -6.805) 9.342 13.883 ( 0.311 0.180 -0.285) 0.459 15.944 ( -1.570 -0.906 12.793) 12.921 17.216 ( 1.270 0.733 -13.216) 13.297 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 13.704 7.912 5.301) 16.688 3.615 ( 18.062 10.428 8.120) 22.381 4.574 ( 7.543 4.355 -2.812) 9.153 4.780 ( 11.289 6.517 -22.141) 25.693 6.045 ( -0.100 -0.058 -0.712) 0.721 6.458 ( -4.644 -2.681 -2.261) 5.819 6.558 ( -8.946 -5.165 -5.774) 11.834 7.274 ( 17.426 10.061 13.766) 24.380 7.494 ( 14.598 8.428 0.400) 16.861 8.987 ( -11.550 -6.668 -7.457) 15.280 9.535 ( 4.264 2.462 3.396) 5.981 9.811 ( -8.959 -5.173 17.998) 20.759 11.414 ( -10.150 -5.860 -1.881) 11.870 12.375 ( -10.362 -5.982 3.791) 12.551 12.901 ( -5.137 -2.966 -8.159) 10.088 13.885 ( 0.017 0.010 -0.003) 0.020 15.900 ( -4.727 -2.729 7.967) 9.657 17.162 ( -2.637 -1.523 -9.347) 9.831 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( 9.080 5.242 1.304) 10.565 4.024 ( 17.524 10.118 -2.285) 20.364 4.723 ( 6.383 3.685 -0.133) 7.372 4.841 ( 1.209 0.698 -19.924) 19.973 5.854 ( -17.966 -10.372 -15.092) 25.654 6.352 ( -4.056 -2.342 -2.992) 5.558 6.396 ( -1.825 -1.054 -2.793) 3.499 7.461 ( 4.594 2.653 -1.488) 5.510 7.962 ( 20.101 11.605 13.245) 26.723 8.920 ( 3.183 1.837 6.613) 7.565 9.618 ( 1.891 1.092 5.623) 6.032 9.724 ( -4.147 -2.394 21.469) 21.996 11.218 ( -6.540 -3.776 -3.661) 8.392 12.180 ( -8.237 -4.756 2.836) 9.925 12.759 ( -4.919 -2.840 -9.667) 11.212 13.885 ( -0.107 -0.062 0.201) 0.236 15.813 ( -4.455 -2.572 3.559) 6.255 17.050 ( -4.798 -2.770 -6.125) 8.260 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 0.000 15.087 27.746) 31.583 2.209 ( 0.000 15.399 18.444) 24.027 3.256 ( 0.000 -0.883 26.314) 26.329 3.709 ( -0.000 3.305 -8.868) 9.464 4.120 ( -0.000 30.342 6.196) 30.968 6.157 ( -0.000 3.524 -27.467) 27.692 6.813 ( 0.000 -3.028 -0.655) 3.098 6.831 ( 0.000 -2.245 -0.250) 2.259 8.812 ( 0.000 -15.396 -3.353) 15.757 8.967 ( -0.000 1.739 -0.800) 1.914 10.286 ( -0.000 1.411 -4.043) 4.282 11.232 ( 0.000 -56.442 15.092) 58.425 12.481 ( 0.000 -4.902 0.491) 4.927 12.930 ( -0.000 9.445 -3.927) 10.228 13.721 ( 0.000 -7.588 -2.150) 7.887 13.769 ( -0.000 0.032 -0.037) 0.049 14.660 ( -0.000 50.466 0.073) 50.466 17.144 ( -0.000 -7.156 -2.199) 7.487 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -2.545 21.607 20.383) 29.813 2.529 ( 7.985 11.759 24.768) 28.557 3.389 ( 10.369 9.046 -3.266) 14.143 3.861 ( 11.790 5.300 -6.375) 14.413 4.598 ( 16.800 30.752 17.743) 39.278 6.128 ( 0.700 7.635 -24.273) 25.455 6.766 ( -1.576 -2.315 -1.241) 3.063 6.783 ( -2.095 -3.305 -0.278) 3.923 8.401 ( -24.460 -16.326 1.237) 29.434 9.045 ( 5.489 0.997 -1.724) 5.839 10.262 ( -0.596 -5.911 -1.559) 6.142 10.687 ( -12.560 -34.504 7.995) 37.579 12.338 ( -8.610 -5.735 0.754) 10.372 12.971 ( 0.094 -1.154 -3.273) 3.472 13.543 ( -9.219 -9.749 -1.250) 13.475 13.791 ( 2.764 -1.090 -0.811) 3.080 15.331 ( 18.269 40.442 3.523) 44.517 17.066 ( 2.019 -8.458 -5.461) 10.268 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 4.248 22.917 14.685) 27.548 2.824 ( 6.091 10.033 27.520) 29.918 3.747 ( 21.937 13.579 -21.604) 33.651 4.094 ( 10.815 8.410 -6.526) 15.175 5.307 ( 25.773 25.057 21.140) 41.701 6.174 ( 2.891 10.678 -18.156) 21.261 6.701 ( -2.977 -3.987 -0.250) 4.982 6.747 ( 1.026 1.734 -1.123) 2.307 7.840 ( -26.366 -10.493 7.059) 29.242 9.151 ( 7.804 -0.569 -1.655) 7.998 10.098 ( -5.649 -26.798 9.124) 28.866 10.244 ( -13.972 -6.665 -11.239) 19.130 12.121 ( -11.934 -4.506 1.525) 12.847 12.899 ( -4.491 -5.033 -0.084) 6.746 13.269 ( -9.650 -10.674 -2.375) 14.584 13.829 ( 3.157 -0.903 -0.980) 3.427 15.885 ( 7.354 22.110 11.992) 26.206 17.033 ( 6.663 -6.800 -12.686) 15.861 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 7.481 22.445 10.424) 25.854 3.137 ( 9.684 11.501 20.541) 25.455 4.145 ( 20.074 7.851 -20.630) 29.837 4.356 ( 11.432 14.368 -7.605) 19.874 5.918 ( 12.224 14.606 7.124) 20.335 6.352 ( 14.422 7.977 -1.549) 16.554 6.616 ( -2.415 -1.730 -1.241) 3.220 6.852 ( 5.073 8.660 0.965) 10.083 7.443 ( -15.788 -1.918 9.092) 18.319 9.276 ( 9.367 -3.076 -0.192) 9.861 9.615 ( -19.802 -20.610 -10.232) 30.358 10.025 ( -4.766 -11.081 4.096) 12.739 11.870 ( -14.885 -2.209 1.741) 15.148 12.724 ( -9.522 -7.732 4.180) 12.959 13.044 ( -4.517 -8.691 -5.920) 11.445 13.868 ( 2.138 0.607 -0.839) 2.375 16.081 ( -5.223 8.597 14.949) 18.018 17.059 ( 8.386 -5.898 -15.226) 18.356 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 6.795 21.163 5.977) 23.016 3.492 ( 12.851 11.792 11.720) 21.013 4.411 ( 13.230 3.011 -10.709) 17.285 4.676 ( 10.084 17.944 -12.269) 23.962 6.068 ( -0.776 5.698 -1.840) 6.038 6.469 ( -1.266 -5.206 -0.385) 5.371 6.638 ( -3.763 -0.085 -5.076) 6.319 7.160 ( 16.698 16.222 16.801) 28.709 7.392 ( 3.721 5.587 0.404) 6.725 9.093 ( -15.686 -12.790 -10.439) 22.773 9.388 ( 9.018 -7.445 2.079) 11.877 9.882 ( -2.032 -11.113 10.267) 15.265 11.609 ( -15.563 -0.099 1.564) 15.641 12.494 ( -10.476 -7.866 5.098) 14.057 12.891 ( -2.776 -7.155 -8.017) 11.098 13.906 ( 0.526 3.156 -0.605) 3.256 16.037 ( -9.464 1.498 10.807) 14.443 17.064 ( 4.850 -7.503 -11.870) 14.856 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( 3.269 18.446 1.943) 18.834 3.851 ( 14.180 10.558 2.092) 17.802 4.595 ( 9.354 2.571 -6.324) 11.581 4.892 ( 0.367 16.788 -11.904) 20.583 5.994 ( -12.013 -4.628 -7.889) 15.099 6.390 ( -2.494 -1.942 -2.284) 3.900 6.455 ( -9.358 -0.920 -4.763) 10.541 7.429 ( 2.083 4.230 -0.859) 4.792 7.754 ( 22.534 11.109 11.935) 27.814 8.893 ( 1.716 -1.594 2.253) 3.250 9.435 ( 7.574 -14.858 8.949) 18.927 9.830 ( 1.015 -4.674 9.060) 10.245 11.381 ( -13.524 2.775 1.164) 13.854 12.272 ( -9.252 -7.362 4.442) 12.631 12.750 ( -3.048 -6.267 -9.704) 11.947 13.943 ( -1.454 6.407 -0.314) 6.577 15.905 ( -8.559 -2.186 5.817) 10.577 16.999 ( 1.259 -9.130 -8.055) 12.240 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 0.000 14.369 4.361) 15.016 2.634 ( 0.000 25.740 26.636) 37.041 3.395 ( -0.000 8.646 -2.850) 9.104 3.806 ( -0.000 10.751 -2.895) 11.134 4.822 ( 0.000 31.754 16.341) 35.712 6.149 ( -0.000 14.167 -22.794) 26.838 6.752 ( -0.000 -2.127 -1.108) 2.398 6.763 ( 0.000 -4.563 -0.371) 4.578 8.395 ( -0.000 -23.028 -8.925) 24.697 9.043 ( -0.000 5.840 1.654) 6.070 10.132 ( 0.000 -25.240 6.927) 26.173 10.536 ( 0.000 -17.133 4.037) 17.602 12.314 ( 0.000 -11.605 -2.152) 11.803 12.951 ( -0.000 -1.974 -1.857) 2.710 13.487 ( 0.000 -14.289 -3.343) 14.674 13.789 ( 0.000 1.390 1.380) 1.959 15.612 ( -0.000 44.224 0.865) 44.232 16.934 ( 0.000 -12.580 -0.988) 12.618 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 2.450 18.222 3.510) 18.718 2.974 ( 1.662 17.704 26.422) 31.848 3.552 ( 9.615 16.591 -17.327) 25.844 4.001 ( 8.915 11.904 -2.052) 15.013 5.287 ( 14.168 26.634 18.211) 35.238 6.238 ( -0.607 18.722 -19.035) 26.706 6.697 ( -1.848 -5.307 -0.044) 5.620 6.742 ( 0.909 1.152 -0.605) 1.588 8.049 ( -11.169 -18.628 -6.314) 22.619 9.090 ( -0.907 4.054 1.878) 4.559 9.876 ( 0.108 -32.791 12.448) 35.074 10.361 ( -9.832 -4.572 -7.778) 13.344 12.171 ( -2.210 -11.072 -1.459) 11.384 12.903 ( -1.918 -4.234 -0.301) 4.658 13.276 ( -6.355 -15.759 -2.714) 17.208 13.799 ( -0.102 1.646 0.721) 1.800 16.063 ( 6.504 31.103 3.638) 31.984 16.825 ( 2.209 -12.660 -2.529) 13.098 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 7.257 19.073 5.510) 21.137 3.241 ( 3.127 17.316 18.862) 25.795 3.867 ( 15.356 14.473 -19.497) 28.729 4.290 ( 11.421 15.318 -2.624) 19.287 5.849 ( 18.296 17.233 14.474) 29.004 6.328 ( -1.195 13.666 -11.338) 17.797 6.619 ( -1.401 -3.674 -0.096) 3.933 6.846 ( 5.900 10.079 0.359) 11.684 7.700 ( -13.244 -7.857 0.879) 15.425 9.121 ( 3.076 -1.957 1.669) 4.010 9.580 ( -5.770 -27.535 4.308) 28.461 10.071 ( -13.120 -6.970 -8.885) 17.311 12.024 ( -5.619 -6.753 0.436) 8.796 12.798 ( -5.728 -6.252 3.043) 9.009 13.002 ( -6.135 -14.203 -4.039) 15.990 13.835 ( 2.132 2.111 -0.230) 3.009 16.350 ( -4.857 16.429 13.217) 21.638 16.766 ( 8.838 -11.846 -12.055) 19.072 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.343 ( 8.567 17.118 4.006) 19.556 3.551 ( 4.637 22.066 12.021) 25.552 4.169 ( 15.160 7.190 -13.377) 21.459 4.651 ( 12.150 20.027 -4.129) 23.786 6.159 ( 0.194 9.093 -0.884) 9.138 6.397 ( 3.046 -3.866 1.878) 5.268 6.638 ( 3.373 4.442 -1.609) 5.805 7.119 ( 11.167 15.544 4.784) 19.728 7.501 ( -7.628 2.050 4.530) 9.105 9.153 ( 0.381 -15.503 7.155) 17.079 9.182 ( -7.693 -10.753 -13.571) 18.947 9.818 ( -4.203 -11.411 1.515) 12.255 11.844 ( -10.830 -2.887 1.976) 11.381 12.611 ( -10.022 -7.178 6.217) 13.807 12.809 ( -1.184 -10.684 -7.341) 13.017 13.906 ( 2.969 3.998 -0.639) 5.021 16.313 ( -14.508 4.686 13.259) 20.205 16.797 ( 10.819 -10.913 -13.105) 20.197 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( 7.929 15.383 -1.977) 17.419 3.864 ( 2.582 22.570 8.807) 24.364 4.425 ( 13.107 5.137 -7.656) 16.025 5.000 ( 6.422 21.749 -5.850) 23.420 6.125 ( -9.236 0.405 -4.449) 10.260 6.371 ( 0.726 -4.562 0.018) 4.619 6.615 ( -9.109 1.692 -4.294) 10.212 7.477 ( -2.141 4.673 -2.333) 5.645 7.540 ( 18.918 11.101 11.972) 24.989 8.864 ( -3.267 -6.134 -1.675) 7.149 9.182 ( 7.551 -14.985 4.507) 17.375 9.718 ( 2.941 -10.129 3.343) 11.065 11.645 ( -12.297 1.107 3.535) 12.842 12.391 ( -11.015 -6.408 5.794) 13.999 12.679 ( -0.813 -8.470 -8.937) 12.339 14.004 ( 2.431 7.551 -0.666) 7.960 16.113 ( -15.136 -0.648 7.859) 17.067 16.791 ( 6.824 -13.269 -9.044) 17.448 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -0.000 13.801 -5.020) 14.686 3.213 ( 0.000 13.483 20.003) 24.123 3.631 ( -0.000 25.544 -13.135) 28.723 4.050 ( -0.000 13.839 1.866) 13.964 5.467 ( 0.000 23.139 15.744) 27.987 6.396 ( -0.000 22.846 -16.436) 28.144 6.659 ( 0.000 -6.004 0.045) 6.004 6.747 ( -0.000 3.815 0.228) 3.822 7.871 ( -0.000 -21.719 -14.195) 25.946 9.202 ( 0.000 8.795 3.146) 9.340 9.600 ( 0.000 -32.499 15.797) 36.135 10.394 ( -0.000 -3.122 -7.904) 8.498 12.029 ( 0.000 -15.552 -3.587) 15.961 12.876 ( 0.000 -5.051 -0.312) 5.060 13.162 ( 0.000 -16.511 -2.353) 16.678 13.830 ( 0.000 1.527 1.855) 2.403 16.250 ( -0.000 20.418 -9.630) 22.575 16.734 ( 0.000 -6.931 12.289) 14.108 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 9.344 14.913 -3.054) 17.861 3.376 ( 2.764 11.072 6.029) 12.907 3.882 ( 1.684 25.332 -4.844) 25.846 4.266 ( 8.560 15.166 1.762) 17.504 5.801 ( 10.527 15.736 12.289) 22.571 6.490 ( -4.801 11.153 -8.247) 14.678 6.594 ( -0.263 -4.435 1.047) 4.565 6.877 ( 4.403 16.850 -2.128) 17.545 7.652 ( 1.005 -14.636 -11.606) 18.707 9.197 ( -8.028 -0.317 8.449) 11.659 9.394 ( 0.740 -20.088 7.814) 21.567 10.209 ( -12.934 -5.625 -11.552) 18.231 11.914 ( 4.543 -13.836 -2.450) 14.767 12.801 ( -1.656 -7.240 -1.745) 7.629 12.957 ( -5.730 -14.657 1.098) 15.775 13.847 ( 0.013 2.328 1.227) 2.631 16.384 ( 9.608 -0.765 -15.265) 18.053 16.724 ( -7.291 4.236 18.048) 19.921 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( 9.708 14.761 2.115) 17.794 3.631 ( 13.075 15.908 -1.961) 20.684 4.097 ( 1.356 16.774 -1.146) 16.868 4.624 ( 13.211 19.202 1.307) 23.345 6.123 ( 10.617 4.779 5.724) 12.974 6.417 ( -5.796 -1.005 -1.780) 6.146 6.621 ( 3.191 2.904 1.864) 4.699 7.147 ( 5.939 20.152 -0.883) 21.028 7.552 ( 1.371 -4.902 -5.550) 7.530 9.053 ( -3.434 -14.327 11.611) 18.758 9.220 ( -9.770 -4.445 -5.915) 12.256 9.865 ( -13.266 -7.827 -7.750) 17.242 11.860 ( 1.955 -9.947 -1.220) 10.211 12.672 ( -1.544 -10.906 -5.146) 12.158 12.739 ( -7.774 -8.615 5.936) 13.034 13.900 ( 2.386 4.431 0.429) 5.051 16.439 ( 10.066 -13.462 -11.492) 20.362 16.663 ( -12.661 6.719 13.088) 19.410 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 7.832 13.566 -0.000) 15.665 4.064 ( 13.716 23.756 0.000) 27.431 4.256 ( 4.579 7.930 -0.000) 9.157 5.041 ( 12.329 21.354 -0.000) 24.657 6.263 ( 0.985 1.705 -0.000) 1.969 6.281 ( -4.513 -7.817 0.000) 9.026 6.701 ( 0.717 1.242 -0.000) 1.434 7.429 ( 8.016 13.884 -0.000) 16.032 7.549 ( 0.795 1.378 -0.000) 1.591 8.876 ( -5.441 -9.425 -0.000) 10.883 9.015 ( -3.911 -6.774 0.000) 7.821 9.642 ( -4.016 -6.956 -0.000) 8.032 11.766 ( -3.335 -5.777 -0.000) 6.670 12.511 ( -5.942 -10.291 -0.000) 11.883 12.585 ( -3.103 -5.375 0.000) 6.207 14.014 ( 4.318 7.479 -0.000) 8.636 16.354 ( -5.487 -9.503 -0.000) 10.973 16.551 ( -3.064 -5.306 -0.000) 6.127 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -0.000 14.410 -6.674) 15.881 3.456 ( -0.000 10.789 -2.607) 11.100 4.140 ( -0.000 24.930 6.462) 25.754 4.323 ( -0.000 12.581 2.538) 12.834 5.889 ( 0.000 12.465 7.482) 14.538 6.542 ( 0.000 -6.326 1.013) 6.407 6.576 ( 0.000 -1.333 3.914) 4.135 7.043 ( -0.000 28.558 -9.506) 30.099 7.462 ( -0.000 -9.668 -12.206) 15.571 9.161 ( 0.000 -22.495 12.471) 25.721 9.399 ( -0.000 9.171 2.293) 9.454 10.238 ( -0.000 -6.117 -13.238) 14.583 11.698 ( 0.000 -16.050 -2.918) 16.313 12.707 ( -0.000 -11.828 -5.816) 13.181 12.905 ( 0.000 -9.885 6.489) 11.824 13.865 ( 0.000 0.918 1.389) 1.665 16.208 ( -0.000 -7.076 -13.447) 15.195 16.910 ( 0.000 6.413 16.903) 18.078 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.294 ( 12.622 14.602 -3.505) 19.616 3.586 ( 4.282 13.232 -5.717) 15.037 4.312 ( -3.988 16.391 6.944) 18.243 4.589 ( 12.307 15.632 5.492) 20.639 6.042 ( 5.278 4.022 3.311) 7.417 6.459 ( -2.887 -5.567 1.844) 6.537 6.577 ( 3.089 -5.826 7.269) 9.814 7.307 ( 1.425 28.003 -8.791) 29.386 7.414 ( 4.497 -2.278 -7.492) 9.030 8.995 ( -2.446 -14.313 8.382) 16.766 9.405 ( -9.606 6.133 -0.890) 11.431 9.999 ( -13.112 -7.023 -12.895) 19.686 11.629 ( 8.682 -13.735 -2.450) 16.432 12.550 ( -1.323 -13.299 -6.289) 14.770 12.807 ( -4.883 -6.952 8.742) 12.190 13.898 ( 2.433 2.230 0.920) 3.426 16.144 ( 6.023 -10.281 -10.464) 15.857 16.938 ( -8.228 3.007 13.197) 15.840 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( -0.000 13.644 -4.369) 14.326 3.682 ( -0.000 16.074 -4.208) 16.616 4.553 ( -0.000 9.936 1.480) 10.046 4.584 ( 0.000 13.134 15.643) 20.426 6.029 ( 0.000 -1.866 2.758) 3.329 6.436 ( 0.000 -5.783 2.128) 6.162 6.481 ( 0.000 -10.636 9.488) 14.252 7.367 ( -0.000 3.596 -3.068) 4.726 7.543 ( -0.000 28.574 -11.033) 30.630 8.935 ( 0.000 -6.270 3.026) 6.962 9.558 ( -0.000 6.494 -1.211) 6.606 9.992 ( -0.000 -8.151 -18.008) 19.767 11.404 ( 0.000 -13.002 -0.026) 13.002 12.420 ( -0.000 -12.579 -5.262) 13.635 12.813 ( 0.000 -6.633 9.348) 11.462 13.883 ( 0.000 0.268 0.537) 0.601 15.981 ( -0.000 -8.095 -8.025) 11.399 17.060 ( 0.000 -0.674 11.034) 11.055 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 0.000 -0.000 22.484) 22.484 2.048 ( 0.000 -0.000 22.484) 22.484 3.489 ( 0.000 -0.000 46.004) 46.004 3.680 ( -0.000 0.000 -9.858) 9.858 3.680 ( -0.000 0.000 -9.858) 9.858 6.033 ( -0.000 0.000 -29.205) 29.205 6.850 ( -0.000 0.000 -0.043) 0.043 6.850 ( -0.000 0.000 -0.043) 0.043 8.960 ( -0.000 0.000 -1.938) 1.938 8.960 ( -0.000 0.000 -1.938) 1.938 10.252 ( -0.000 0.000 -2.256) 2.256 12.245 ( 0.000 -0.000 5.627) 5.627 12.514 ( 0.000 -0.000 1.891) 1.891 12.514 ( 0.000 -0.000 1.891) 1.891 13.778 ( -0.000 0.000 -0.917) 0.917 13.778 ( -0.000 0.000 -0.917) 0.917 14.069 ( -0.000 0.000 -0.299) 0.299 17.207 ( -0.000 0.000 -1.073) 1.073 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 2.471 1.427 22.786) 22.964 2.400 ( 16.228 9.369 19.085) 26.746 3.335 ( -4.900 -2.829 4.332) 7.126 3.767 ( 7.668 4.427 -9.771) 13.186 4.164 ( 28.497 16.453 22.046) 39.608 5.963 ( 2.242 1.294 -26.558) 26.684 6.812 ( -3.109 -1.795 -0.420) 3.614 6.825 ( -2.101 -1.213 -0.002) 2.427 8.698 ( -21.511 -12.420 2.111) 24.929 9.012 ( 3.980 2.298 -2.591) 5.276 10.264 ( 1.091 0.630 -2.669) 2.951 11.386 ( -42.064 -24.286 7.129) 49.092 12.423 ( -7.113 -4.107 2.725) 8.653 12.923 ( 7.612 4.395 -3.102) 9.321 13.671 ( -8.434 -4.869 -0.039) 9.739 13.805 ( 1.655 0.956 -1.406) 2.373 14.647 ( 41.704 24.078 0.867) 48.164 17.155 ( -3.448 -1.991 -2.754) 4.841 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 10.155 5.863 19.378) 22.650 2.780 ( 9.801 5.659 27.927) 30.133 3.441 ( 16.636 9.605 -19.617) 27.456 3.939 ( 10.249 5.917 -8.660) 14.665 4.934 ( 33.097 19.109 21.308) 43.756 5.973 ( 6.184 3.571 -19.726) 20.979 6.744 ( -1.968 -1.136 -0.597) 2.350 6.760 ( -3.642 -2.103 -0.211) 4.211 8.133 ( -28.228 -16.297 8.498) 33.684 9.115 ( 6.096 3.520 -2.657) 7.524 10.250 ( -2.315 -1.336 -2.884) 3.932 10.611 ( -30.311 -17.500 1.079) 35.017 12.228 ( -11.111 -6.415 2.908) 13.156 12.953 ( -1.981 -1.144 -1.984) 3.028 13.433 ( -12.271 -7.085 0.007) 14.170 13.837 ( 1.575 0.909 -1.455) 2.329 15.507 ( 30.826 17.798 6.941) 36.266 17.070 ( -1.741 -1.005 -9.049) 9.269 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 14.009 8.088 14.368) 21.636 3.058 ( 8.834 5.100 24.890) 26.900 3.846 ( 24.345 14.056 -24.804) 37.489 4.148 ( 10.728 6.194 -6.796) 14.129 5.658 ( 23.669 13.665 6.674) 28.134 6.157 ( 16.593 9.580 -1.942) 19.259 6.666 ( -4.650 -2.684 -0.683) 5.412 6.756 ( 3.508 2.025 -0.520) 4.084 7.610 ( -20.612 -11.900 11.709) 26.525 9.257 ( 7.268 4.196 -2.035) 8.636 9.912 ( -26.040 -15.034 -14.838) 33.530 10.219 ( -6.907 -3.988 9.276) 12.234 11.965 ( -13.217 -7.631 2.505) 15.466 12.851 ( -7.276 -4.201 1.760) 8.584 13.170 ( -10.265 -5.927 -2.767) 12.172 13.862 ( 1.078 0.622 -1.233) 1.752 15.986 ( 9.357 5.402 14.549) 18.122 17.043 ( 3.173 1.832 -16.213) 16.622 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 14.264 8.235 9.181) 18.856 3.357 ( 12.169 7.026 15.003) 20.555 4.282 ( 20.720 11.963 -19.985) 31.174 4.358 ( 9.874 5.701 -4.343) 12.201 5.953 ( 7.294 4.211 -4.975) 9.782 6.554 ( -5.098 -2.943 -1.361) 6.042 6.595 ( 8.887 5.131 -0.005) 10.261 6.935 ( 17.231 9.948 11.393) 22.928 7.362 ( -3.945 -2.277 7.924) 9.140 9.298 ( -22.673 -13.090 -14.804) 30.077 9.414 ( 7.132 4.118 -0.700) 8.265 10.103 ( -7.367 -4.253 13.698) 16.125 11.676 ( -13.253 -7.652 1.533) 15.380 12.651 ( -11.160 -6.443 5.099) 13.859 12.973 ( -6.550 -3.782 -6.922) 10.253 13.877 ( 0.559 0.323 -0.897) 1.105 16.074 ( -3.646 -2.105 13.360) 14.008 17.073 ( 3.306 1.909 -15.464) 15.928 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 0.000 16.318 22.815) 28.049 2.346 ( 0.000 11.068 8.440) 13.919 3.401 ( 0.000 -8.027 3.722) 8.848 3.640 ( -0.000 4.985 -4.557) 6.754 4.255 ( 0.000 32.126 18.939) 37.293 5.890 ( -0.000 5.081 -24.858) 25.372 6.809 ( 0.000 -3.517 -0.211) 3.523 6.829 ( 0.000 -2.360 -0.230) 2.372 8.780 ( 0.000 -17.140 -3.216) 17.439 8.964 ( -0.000 2.639 0.245) 2.650 10.256 ( -0.000 0.882 -2.051) 2.232 11.352 ( 0.000 -53.575 9.202) 54.360 12.480 ( 0.000 -5.948 -0.621) 5.980 12.903 ( -0.000 8.594 -1.718) 8.764 13.701 ( 0.000 -8.315 -1.821) 8.512 13.771 ( 0.000 0.654 0.548) 0.853 14.661 ( -0.000 50.529 -0.043) 50.529 17.128 ( 0.000 -7.485 -0.952) 7.545 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -1.392 16.462 13.070) 21.066 2.743 ( 14.438 15.068 17.296) 27.104 3.315 ( 0.441 2.864 -9.502) 9.934 3.803 ( 9.714 7.411 -4.805) 13.129 4.793 ( 18.914 29.807 18.576) 39.890 5.900 ( 2.296 9.198 -19.650) 21.818 6.758 ( -1.638 -2.647 -0.518) 3.156 6.781 ( -2.076 -3.416 -0.145) 4.000 8.411 ( -18.723 -19.086 0.724) 26.746 9.031 ( 4.046 2.194 -1.019) 4.714 10.248 ( -0.152 -2.357 -1.045) 2.583 10.750 ( -17.559 -37.213 4.284) 41.370 12.343 ( -6.954 -7.078 0.381) 9.929 12.947 ( 0.134 -0.430 -1.577) 1.640 13.534 ( -8.235 -10.835 -0.521) 13.619 13.784 ( 1.747 -0.292 -0.465) 1.831 15.358 ( 21.409 41.704 1.819) 46.913 17.026 ( -1.522 -8.860 -2.747) 9.400 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 5.430 18.446 10.892) 22.100 3.090 ( 5.128 7.904 25.402) 27.093 3.513 ( 20.050 14.126 -24.575) 34.720 4.034 ( 9.959 10.160 -5.057) 15.098 5.478 ( 22.728 24.459 9.854) 34.813 6.029 ( 8.156 11.635 -7.822) 16.220 6.699 ( -3.276 -3.996 -0.207) 5.171 6.739 ( 1.199 1.784 -0.438) 2.194 7.912 ( -22.089 -12.877 7.202) 26.563 9.132 ( 7.375 0.266 -2.132) 7.681 10.117 ( -22.938 -18.733 -10.597) 31.454 10.199 ( 0.026 -14.554 7.527) 16.386 12.137 ( -11.073 -5.329 1.737) 12.411 12.899 ( -3.101 -3.680 0.104) 4.813 13.254 ( -10.675 -12.054 -0.557) 16.111 13.818 ( 2.888 -0.504 -1.073) 3.122 15.992 ( 12.078 23.969 9.268) 28.396 16.917 ( 1.608 -7.609 -10.208) 12.833 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 7.378 19.213 7.789) 22.005 3.323 ( 6.890 8.586 14.895) 18.522 3.949 ( 22.645 11.416 -16.313) 30.153 4.297 ( 9.686 14.290 -4.492) 17.838 5.907 ( 6.226 14.584 -7.731) 17.642 6.398 ( 18.941 6.566 8.993) 21.972 6.605 ( -3.090 -2.120 -1.078) 3.900 6.862 ( 8.093 10.607 1.117) 13.389 7.541 ( -15.175 -4.015 10.591) 18.936 9.258 ( 9.391 -2.813 -3.665) 10.466 9.496 ( -23.029 -17.035 -12.189) 31.131 10.100 ( -0.242 -14.010 9.951) 17.186 11.891 ( -14.823 -2.351 2.273) 15.179 12.767 ( -8.182 -6.394 4.241) 11.216 12.990 ( -6.394 -10.257 -4.767) 12.993 13.859 ( 2.180 0.792 -1.120) 2.576 16.232 ( -5.928 8.226 15.257) 18.319 16.899 ( 8.567 -4.829 -16.901) 19.554 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -0.000 11.661 -5.886) 13.062 2.891 ( 0.000 28.149 23.740) 36.824 3.308 ( -0.000 1.381 -12.839) 12.913 3.806 ( -0.000 12.000 2.881) 12.341 4.997 ( 0.000 31.716 16.069) 35.555 5.937 ( -0.000 15.287 -17.884) 23.527 6.744 ( 0.000 -2.188 -0.494) 2.243 6.760 ( 0.000 -4.521 -0.191) 4.525 8.307 ( -0.000 -26.509 -8.845) 27.945 9.063 ( 0.000 6.592 2.355) 7.000 10.184 ( 0.000 -13.440 4.044) 14.035 10.578 ( 0.000 -28.156 3.937) 28.430 12.289 ( 0.000 -12.348 -2.854) 12.674 12.939 ( -0.000 -1.410 -0.570) 1.521 13.458 ( 0.000 -14.725 -2.388) 14.918 13.804 ( 0.000 1.710 1.672) 2.391 15.604 ( -0.000 43.396 -2.336) 43.459 16.945 ( 0.000 -10.604 3.020) 11.025 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 7.741 14.857 -4.319) 17.301 3.224 ( 0.192 10.192 19.077) 21.630 3.365 ( 7.712 22.217 -15.273) 28.042 3.999 ( 6.471 13.195 1.756) 14.801 5.455 ( 13.716 26.501 12.912) 32.514 6.065 ( 1.381 19.146 -13.523) 23.480 6.697 ( -1.773 -5.088 0.111) 5.389 6.738 ( 0.891 1.727 -0.144) 1.949 7.982 ( -5.198 -22.369 -6.913) 23.983 9.110 ( -2.261 5.713 2.146) 6.508 9.999 ( -1.267 -30.316 12.238) 32.717 10.282 ( -12.929 -7.441 -8.242) 17.043 12.155 ( -0.578 -11.725 -1.716) 11.864 12.901 ( -1.578 -3.722 -0.240) 4.050 13.257 ( -5.771 -16.044 -1.097) 17.086 13.808 ( -1.090 2.030 0.986) 2.507 16.061 ( 11.764 28.147 -3.975) 30.765 16.838 ( -3.600 -8.589 5.027) 10.583 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 10.186 17.643 -0.000) 20.373 3.363 ( 5.931 10.273 -0.000) 11.862 3.742 ( 11.544 19.995 0.000) 23.088 4.276 ( 9.573 16.581 -0.000) 19.146 5.935 ( 10.762 18.641 0.000) 21.524 6.258 ( 7.285 12.617 -0.000) 14.569 6.618 ( -2.007 -3.475 -0.000) 4.013 6.847 ( 6.072 10.517 -0.000) 12.144 7.704 ( -6.732 -11.661 -0.000) 13.465 9.129 ( 0.549 0.952 -0.000) 1.099 9.606 ( -14.928 -25.856 -0.000) 29.856 10.022 ( -5.964 -10.330 0.000) 11.928 12.026 ( -4.264 -7.385 -0.000) 8.528 12.815 ( -3.286 -5.692 -0.000) 6.572 12.981 ( -8.429 -14.600 0.000) 16.858 13.834 ( 1.444 2.500 -0.000) 2.887 16.431 ( 7.970 13.805 -0.000) 15.941 16.691 ( -4.856 -8.411 0.000) 9.712 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( -0.000 14.338 -10.933) 18.031 3.267 ( -0.000 5.944 -13.257) 14.529 3.624 ( 0.000 31.236 16.055) 35.121 4.086 ( 0.000 13.321 5.222) 14.308 5.616 ( 0.000 21.395 12.416) 24.737 6.233 ( -0.000 25.906 -14.645) 29.759 6.661 ( 0.000 -5.710 0.396) 5.724 6.751 ( -0.000 3.879 0.460) 3.906 7.734 ( -0.000 -23.122 -13.130) 26.590 9.233 ( 0.000 8.839 2.814) 9.276 9.758 ( 0.000 -31.554 15.750) 35.266 10.311 ( -0.000 -5.908 -8.900) 10.683 11.994 ( 0.000 -15.605 -3.298) 15.950 12.867 ( 0.000 -6.144 -1.412) 6.304 13.153 ( 0.000 -14.590 0.509) 14.599 13.848 ( 0.000 1.444 1.661) 2.200 16.128 ( -0.000 13.865 -13.793) 19.557 16.880 ( 0.000 0.420 16.056) 16.062 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 0.000 -0.000 12.965) 12.965 2.228 ( 0.000 -0.000 12.965) 12.965 3.595 ( -0.000 0.000 -6.562) 6.562 3.595 ( -0.000 0.000 -6.562) 6.562 3.880 ( 0.000 -0.000 30.397) 30.397 5.767 ( -0.000 0.000 -22.087) 22.087 6.850 ( -0.000 0.000 -0.024) 0.024 6.850 ( -0.000 0.000 -0.024) 0.024 8.945 ( -0.000 0.000 -1.045) 1.045 8.945 ( -0.000 0.000 -1.045) 1.045 10.237 ( -0.000 0.000 -0.908) 0.908 12.287 ( 0.000 -0.000 2.808) 2.808 12.529 ( 0.000 -0.000 1.028) 1.028 12.529 ( 0.000 -0.000 1.028) 1.028 13.771 ( -0.000 0.000 -0.506) 0.506 13.771 ( -0.000 0.000 -0.506) 0.506 14.067 ( -0.000 0.000 -0.114) 0.114 17.198 ( -0.000 0.000 -0.591) 0.591 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 3.311 1.912 15.265) 15.737 2.518 ( 18.553 10.711 3.673) 21.736 3.350 ( -9.824 -5.672 1.396) 11.429 3.678 ( 7.450 4.301 -7.588) 11.471 4.375 ( 27.658 15.968 15.865) 35.660 5.741 ( 3.511 2.027 -15.399) 15.924 6.809 ( -3.246 -1.874 -0.207) 3.754 6.825 ( -2.128 -1.229 0.091) 2.459 8.722 ( -18.871 -10.895 2.533) 21.937 8.988 ( 3.621 2.090 -2.074) 4.667 10.246 ( 0.692 0.400 -0.986) 1.269 11.429 ( -43.025 -24.840 1.474) 49.702 12.449 ( -6.703 -3.870 2.357) 8.091 12.901 ( 7.094 4.096 -1.423) 8.314 13.674 ( -8.152 -4.706 0.708) 9.440 13.791 ( 1.452 0.838 -1.330) 2.140 14.654 ( 42.755 24.685 0.636) 49.374 17.134 ( -5.072 -2.929 -1.501) 6.047 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 9.334 5.389 14.254) 17.870 3.002 ( 20.457 11.811 11.068) 26.086 3.255 ( 4.100 2.367 -12.018) 12.916 3.858 ( 10.663 6.156 -7.070) 14.198 5.074 ( 30.471 17.593 3.609) 35.370 5.847 ( 9.980 5.762 -2.438) 11.780 6.741 ( -1.963 -1.133 -0.009) 2.267 6.759 ( -3.806 -2.197 -0.014) 4.395 8.219 ( -25.740 -14.861 8.743) 30.981 9.088 ( 6.074 3.507 -2.709) 7.519 10.219 ( -5.212 -3.009 -3.219) 6.825 10.607 ( -29.443 -16.999 -1.728) 34.042 12.259 ( -11.063 -6.387 3.114) 13.149 12.939 ( -1.326 -0.766 -0.689) 1.679 13.440 ( -12.714 -7.340 1.307) 14.739 13.821 ( 1.606 0.927 -1.689) 2.509 15.567 ( 34.767 20.073 4.971) 40.452 16.992 ( -5.794 -3.345 -6.390) 9.252 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -0.000 6.756 -4.125) 7.915 2.469 ( 0.000 19.498 12.795) 23.321 3.383 ( -0.000 -10.584 -4.437) 11.476 3.627 ( 0.000 7.172 2.168) 7.493 4.415 ( -0.000 30.897 8.584) 32.068 5.706 ( -0.000 5.169 -9.219) 10.569 6.808 ( 0.000 -3.724 0.034) 3.724 6.827 ( 0.000 -2.435 -0.174) 2.441 8.749 ( 0.000 -19.232 -2.938) 19.455 8.971 ( 0.000 3.495 1.251) 3.712 10.244 ( -0.000 0.654 -0.461) 0.800 11.417 ( 0.000 -51.336 3.843) 51.479 12.469 ( 0.000 -6.947 -1.622) 7.133 12.894 ( -0.000 8.134 -0.070) 8.134 13.685 ( 0.000 -8.922 -1.338) 9.022 13.779 ( 0.000 1.237 1.031) 1.610 14.659 ( -0.000 50.160 -0.319) 50.161 17.125 ( 0.000 -7.023 0.269) 7.028 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 5.837 10.110 0.000) 11.674 2.840 ( 13.628 23.605 -0.000) 27.257 3.253 ( -2.443 -4.231 0.000) 4.885 3.777 ( 5.867 10.163 -0.000) 11.735 4.901 ( 17.592 30.471 0.000) 35.185 5.789 ( 4.810 8.331 -0.000) 9.620 6.755 ( -1.611 -2.791 -0.000) 3.223 6.780 ( -2.009 -3.480 -0.000) 4.019 8.415 ( -12.858 -22.271 -0.000) 25.716 9.025 ( 2.013 3.486 -0.000) 4.025 10.242 ( -0.648 -1.122 -0.000) 1.295 10.771 ( -21.163 -36.656 -0.000) 42.327 12.345 ( -4.862 -8.422 -0.000) 9.725 12.939 ( -0.059 -0.103 -0.000) 0.119 13.532 ( -6.820 -11.812 -0.000) 13.640 13.782 ( 0.346 0.599 -0.000) 0.691 15.367 ( 23.869 41.342 -0.000) 47.738 17.012 ( -4.595 -7.958 -0.000) 9.190 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 0.000 -0.000 0.000) 0.000 2.295 ( 0.000 -0.000 0.000) 0.000 3.560 ( 0.000 -0.000 0.000) 0.000 3.560 ( 0.000 -0.000 0.000) 0.000 4.043 ( -0.000 0.000 -0.000) 0.000 5.645 ( 0.000 -0.000 0.000) 0.000 6.850 ( 0.000 -0.000 0.000) 0.000 6.850 ( 0.000 -0.000 0.000) 0.000 8.940 ( 0.000 -0.000 0.000) 0.000 8.940 ( 0.000 -0.000 0.000) 0.000 10.232 ( 0.000 -0.000 0.000) 0.000 12.301 ( 0.000 -0.000 0.000) 0.000 12.534 ( 0.000 -0.000 0.000) 0.000 12.534 ( 0.000 -0.000 0.000) 0.000 13.769 ( 0.000 -0.000 0.000) 0.000 13.769 ( 0.000 -0.000 0.000) 0.000 14.067 ( 0.000 -0.000 0.000) 0.000 17.195 ( 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 3/73728 10.0 10211.447 10211.447 47733.657 -0.000 0.000 -0.000 3/73728 20.0 3204.794 3204.794 4932.826 0.000 0.000 -0.000 3/73728 30.0 784.175 784.175 816.118 0.000 0.000 -0.000 3/73728 40.0 288.999 288.999 253.988 0.000 0.000 -0.000 3/73728 50.0 149.942 149.942 118.025 0.000 -0.000 -0.000 3/73728 60.0 94.308 94.308 69.163 0.000 -0.000 -0.000 3/73728 70.0 66.420 66.420 46.566 0.000 -0.000 -0.000 3/73728 80.0 50.319 50.319 34.263 0.000 -0.000 -0.000 3/73728 90.0 40.097 40.097 26.778 0.000 -0.000 -0.000 3/73728 100.0 33.150 33.150 21.846 0.000 -0.000 -0.000 3/73728 110.0 28.180 28.180 18.398 0.000 -0.000 -0.000 3/73728 120.0 24.477 24.477 15.873 0.000 -0.000 -0.000 3/73728 130.0 21.629 21.629 13.956 0.000 -0.000 -0.000 3/73728 140.0 19.378 19.378 12.455 0.000 -0.000 -0.000 3/73728 150.0 17.558 17.558 11.252 0.000 -0.000 -0.000 3/73728 160.0 16.060 16.060 10.266 0.000 -0.000 -0.000 3/73728 170.0 14.806 14.806 9.445 0.000 -0.000 -0.000 3/73728 180.0 13.741 13.741 8.751 0.000 -0.000 -0.000 3/73728 190.0 12.826 12.826 8.156 0.000 -0.000 -0.000 3/73728 200.0 12.031 12.031 7.640 0.000 -0.000 -0.000 3/73728 210.0 11.334 11.334 7.189 0.000 -0.000 -0.000 3/73728 220.0 10.717 10.717 6.790 0.000 -0.000 -0.000 3/73728 230.0 10.167 10.167 6.436 0.000 -0.000 -0.000 3/73728 240.0 9.674 9.674 6.118 0.000 -0.000 -0.000 3/73728 250.0 9.229 9.229 5.832 0.000 -0.000 -0.000 3/73728 260.0 8.825 8.825 5.573 0.000 -0.000 -0.000 3/73728 270.0 8.456 8.456 5.337 0.000 -0.000 -0.000 3/73728 280.0 8.119 8.119 5.120 0.000 -0.000 -0.000 3/73728 290.0 7.808 7.808 4.922 0.000 -0.000 -0.000 3/73728 300.0 7.522 7.522 4.739 0.000 -0.000 -0.000 3/73728 310.0 7.257 7.257 4.569 0.000 -0.000 -0.000 3/73728 320.0 7.010 7.010 4.412 0.000 -0.000 -0.000 3/73728 330.0 6.780 6.780 4.266 0.000 -0.000 -0.000 3/73728 340.0 6.566 6.566 4.129 0.000 -0.000 -0.000 3/73728 350.0 6.365 6.365 4.001 0.000 -0.000 -0.000 3/73728 360.0 6.176 6.176 3.881 0.000 -0.000 -0.000 3/73728 370.0 5.999 5.999 3.768 0.000 -0.000 -0.000 3/73728 380.0 5.832 5.832 3.662 0.000 -0.000 -0.000 3/73728 390.0 5.674 5.674 3.562 0.000 -0.000 -0.000 3/73728 400.0 5.524 5.524 3.467 0.000 -0.000 -0.000 3/73728 410.0 5.383 5.383 3.378 0.000 -0.000 -0.000 3/73728 420.0 5.249 5.249 3.293 0.000 -0.000 -0.000 3/73728 430.0 5.121 5.121 3.212 0.000 -0.000 -0.000 3/73728 440.0 5.000 5.000 3.135 0.000 -0.000 -0.000 3/73728 450.0 4.884 4.884 3.062 0.000 -0.000 -0.000 3/73728 460.0 4.774 4.774 2.992 0.000 -0.000 -0.000 3/73728 470.0 4.668 4.668 2.926 0.000 -0.000 -0.000 3/73728 480.0 4.568 4.568 2.862 0.000 -0.000 -0.000 3/73728 490.0 4.471 4.471 2.801 0.000 -0.000 -0.000 3/73728 500.0 4.379 4.379 2.743 0.000 -0.000 -0.000 3/73728 510.0 4.291 4.291 2.687 0.000 -0.000 -0.000 3/73728 520.0 4.206 4.206 2.634 0.000 -0.000 -0.000 3/73728 530.0 4.124 4.124 2.582 0.000 -0.000 -0.000 3/73728 540.0 4.046 4.046 2.533 0.000 -0.000 -0.000 3/73728 550.0 3.970 3.970 2.485 0.000 -0.000 -0.000 3/73728 560.0 3.898 3.898 2.439 0.000 -0.000 -0.000 3/73728 570.0 3.828 3.828 2.395 0.000 -0.000 -0.000 3/73728 580.0 3.760 3.760 2.353 0.000 -0.000 -0.000 3/73728 590.0 3.695 3.695 2.312 0.000 -0.000 -0.000 3/73728 600.0 3.632 3.632 2.272 0.000 -0.000 -0.000 3/73728 610.0 3.571 3.571 2.234 0.000 -0.000 -0.000 3/73728 620.0 3.512 3.512 2.197 0.000 -0.000 -0.000 3/73728 630.0 3.456 3.456 2.161 0.000 -0.000 -0.000 3/73728 640.0 3.401 3.401 2.127 0.000 -0.000 -0.000 3/73728 650.0 3.347 3.347 2.093 0.000 -0.000 -0.000 3/73728 660.0 3.296 3.296 2.061 0.000 -0.000 -0.000 3/73728 670.0 3.246 3.246 2.029 0.000 -0.000 -0.000 3/73728 680.0 3.197 3.197 1.999 0.000 -0.000 -0.000 3/73728 690.0 3.150 3.150 1.969 0.000 -0.000 -0.000 3/73728 700.0 3.104 3.104 1.941 0.000 -0.000 -0.000 3/73728 710.0 3.060 3.060 1.913 0.000 -0.000 -0.000 3/73728 720.0 3.017 3.017 1.886 0.000 -0.000 -0.000 3/73728 730.0 2.975 2.975 1.859 0.000 -0.000 -0.000 3/73728 740.0 2.934 2.934 1.834 0.000 -0.000 -0.000 3/73728 750.0 2.895 2.895 1.809 0.000 -0.000 -0.000 3/73728 760.0 2.856 2.856 1.785 0.000 -0.000 -0.000 3/73728 770.0 2.818 2.818 1.761 0.000 -0.000 -0.000 3/73728 780.0 2.782 2.782 1.738 0.000 -0.000 -0.000 3/73728 790.0 2.746 2.746 1.716 0.000 -0.000 -0.000 3/73728 800.0 2.711 2.711 1.694 0.000 -0.000 -0.000 3/73728 810.0 2.678 2.678 1.673 0.000 -0.000 -0.000 3/73728 820.0 2.645 2.645 1.652 0.000 -0.000 -0.000 3/73728 830.0 2.612 2.612 1.632 0.000 -0.000 -0.000 3/73728 840.0 2.581 2.581 1.612 0.000 -0.000 -0.000 3/73728 850.0 2.550 2.550 1.593 0.000 -0.000 -0.000 3/73728 860.0 2.520 2.520 1.574 0.000 -0.000 -0.000 3/73728 870.0 2.491 2.491 1.556 0.000 -0.000 -0.000 3/73728 880.0 2.463 2.463 1.538 0.000 -0.000 -0.000 3/73728 890.0 2.435 2.435 1.521 0.000 -0.000 -0.000 3/73728 900.0 2.407 2.407 1.504 0.000 -0.000 -0.000 3/73728 910.0 2.381 2.381 1.487 0.000 -0.000 -0.000 3/73728 920.0 2.355 2.355 1.471 0.000 -0.000 -0.000 3/73728 930.0 2.329 2.329 1.455 0.000 -0.000 -0.000 3/73728 940.0 2.304 2.304 1.439 0.000 -0.000 -0.000 3/73728 950.0 2.280 2.280 1.424 0.000 -0.000 -0.000 3/73728 960.0 2.256 2.256 1.409 0.000 -0.000 -0.000 3/73728 970.0 2.232 2.232 1.394 0.000 -0.000 -0.000 3/73728 980.0 2.209 2.209 1.380 0.000 -0.000 -0.000 3/73728 990.0 2.187 2.187 1.366 0.000 -0.000 -0.000 3/73728 1000.0 2.165 2.165 1.352 0.000 -0.000 -0.000 3/73728 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:45:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|