----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:18:33]------------------------- 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 1.979076893460121 1.142620577186167 6.709860086666660 b -1.979076893460116 1.142620577186167 6.709860086666660 c 0.000000000000002 -2.285241154372336 6.709860086666660 Atomic positions (fractional): *1 Bi 0.76028873034058 0.76028873034058 0.76028873034058 208.980 2 Bi 0.23971126965942 0.23971126965942 0.23971126965942 208.980 *3 O 0.12766648195550 0.12766648195550 0.12766648195550 15.999 4 O 0.87233351804450 0.87233351804450 0.87233351804450 15.999 *5 F 0.37748876713805 0.37748876713805 0.37748876713805 18.998 6 F 0.62251123286195 0.62251123286195 0.62251123286195 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.958153786920237 0.000000000000000 0.000000000000000 b -1.979076893460118 3.427861731558503 0.000000000000000 c 0.000000000000000 0.000000000000000 20.129580260000001 Atomic positions (fractional): *1 Bi 0.66666666666667 0.33333333333333 0.09362206367391 208.980 > 1 2 Bi 0.00000000000000 0.00000000000000 0.23971126965942 208.980 > 2 3 Bi 0.33333333333333 0.66666666666667 0.42695539700725 208.980 > 1 4 Bi 0.66666666666667 0.33333333333333 0.57304460299275 208.980 > 2 5 Bi 0.00000000000000 0.00000000000000 0.76028873034058 208.980 > 1 6 Bi 0.33333333333333 0.66666666666667 0.90637793632608 208.980 > 2 *7 O 0.00000000000000 0.00000000000000 0.12766648195550 15.999 > 3 8 O 0.66666666666667 0.33333333333333 0.20566685137783 15.999 > 4 9 O 0.66666666666667 0.33333333333333 0.46099981528883 15.999 > 3 10 O 0.33333333333333 0.66666666666667 0.53900018471117 15.999 > 4 11 O 0.33333333333333 0.66666666666667 0.79433314862217 15.999 > 3 12 O 0.00000000000000 0.00000000000000 0.87233351804450 15.999 > 4 *13 F 0.33333333333333 0.66666666666667 0.04415543380472 18.998 > 5 14 F 0.33333333333333 0.66666666666667 0.28917789952862 18.998 > 6 15 F 0.00000000000000 0.00000000000000 0.37748876713805 18.998 > 5 16 F 0.00000000000000 0.00000000000000 0.62251123286195 18.998 > 6 17 F 0.66666666666667 0.33333333333333 0.71082210047138 18.998 > 5 18 F 0.66666666666667 0.33333333333333 0.95584456619528 18.998 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.916307573840474 0.000000000000000 0.000000000000000 b -3.958153786920236 6.855723463117006 0.000000000000000 c 0.000000000000000 0.000000000000000 20.129580260000001 Atomic positions (fractional): *1 Bi 0.33333333333333 0.16666666666667 0.09362206367391 208.980 > 1 2 Bi 0.83333333333333 0.16666666666667 0.09362206367391 208.980 > 1 3 Bi 0.33333333333333 0.66666666666667 0.09362206367391 208.980 > 1 4 Bi 0.83333333333333 0.66666666666667 0.09362206367391 208.980 > 1 5 Bi 0.00000000000000 0.00000000000000 0.23971126965942 208.980 > 2 6 Bi 0.50000000000000 0.00000000000000 0.23971126965942 208.980 > 2 7 Bi 0.00000000000000 0.50000000000000 0.23971126965942 208.980 > 2 8 Bi 0.50000000000000 0.50000000000000 0.23971126965942 208.980 > 2 9 Bi 0.16666666666667 0.33333333333333 0.42695539700725 208.980 > 1 10 Bi 0.66666666666667 0.33333333333333 0.42695539700725 208.980 > 1 11 Bi 0.16666666666667 0.83333333333333 0.42695539700725 208.980 > 1 12 Bi 0.66666666666667 0.83333333333333 0.42695539700725 208.980 > 1 13 Bi 0.33333333333333 0.16666666666667 0.57304460299275 208.980 > 2 14 Bi 0.83333333333333 0.16666666666667 0.57304460299275 208.980 > 2 15 Bi 0.33333333333333 0.66666666666667 0.57304460299275 208.980 > 2 16 Bi 0.83333333333333 0.66666666666667 0.57304460299275 208.980 > 2 17 Bi 0.00000000000000 0.00000000000000 0.76028873034058 208.980 > 1 18 Bi 0.50000000000000 0.00000000000000 0.76028873034058 208.980 > 1 19 Bi 0.00000000000000 0.50000000000000 0.76028873034058 208.980 > 1 20 Bi 0.50000000000000 0.50000000000000 0.76028873034058 208.980 > 1 21 Bi 0.16666666666667 0.33333333333333 0.90637793632608 208.980 > 2 22 Bi 0.66666666666667 0.33333333333333 0.90637793632608 208.980 > 2 23 Bi 0.16666666666667 0.83333333333333 0.90637793632608 208.980 > 2 24 Bi 0.66666666666667 0.83333333333333 0.90637793632608 208.980 > 2 *25 O 0.00000000000000 0.00000000000000 0.12766648195550 15.999 > 3 26 O 0.50000000000000 0.00000000000000 0.12766648195550 15.999 > 3 27 O 0.00000000000000 0.50000000000000 0.12766648195550 15.999 > 3 28 O 0.50000000000000 0.50000000000000 0.12766648195550 15.999 > 3 29 O 0.33333333333333 0.16666666666667 0.20566685137783 15.999 > 4 30 O 0.83333333333333 0.16666666666667 0.20566685137783 15.999 > 4 31 O 0.33333333333333 0.66666666666667 0.20566685137783 15.999 > 4 32 O 0.83333333333333 0.66666666666667 0.20566685137783 15.999 > 4 33 O 0.33333333333333 0.16666666666667 0.46099981528883 15.999 > 3 34 O 0.83333333333333 0.16666666666667 0.46099981528883 15.999 > 3 35 O 0.33333333333333 0.66666666666667 0.46099981528883 15.999 > 3 36 O 0.83333333333333 0.66666666666667 0.46099981528883 15.999 > 3 37 O 0.16666666666667 0.33333333333333 0.53900018471117 15.999 > 4 38 O 0.66666666666667 0.33333333333333 0.53900018471117 15.999 > 4 39 O 0.16666666666667 0.83333333333333 0.53900018471117 15.999 > 4 40 O 0.66666666666667 0.83333333333333 0.53900018471117 15.999 > 4 41 O 0.16666666666667 0.33333333333333 0.79433314862217 15.999 > 3 42 O 0.66666666666667 0.33333333333333 0.79433314862217 15.999 > 3 43 O 0.16666666666667 0.83333333333333 0.79433314862217 15.999 > 3 44 O 0.66666666666667 0.83333333333333 0.79433314862217 15.999 > 3 45 O 0.00000000000000 0.00000000000000 0.87233351804450 15.999 > 4 46 O 0.50000000000000 0.00000000000000 0.87233351804450 15.999 > 4 47 O 0.00000000000000 0.50000000000000 0.87233351804450 15.999 > 4 48 O 0.50000000000000 0.50000000000000 0.87233351804450 15.999 > 4 *49 F 0.16666666666667 0.33333333333333 0.04415543380472 18.998 > 5 50 F 0.66666666666667 0.33333333333333 0.04415543380472 18.998 > 5 51 F 0.16666666666667 0.83333333333333 0.04415543380472 18.998 > 5 52 F 0.66666666666667 0.83333333333333 0.04415543380472 18.998 > 5 53 F 0.16666666666667 0.33333333333333 0.28917789952862 18.998 > 6 54 F 0.66666666666667 0.33333333333333 0.28917789952862 18.998 > 6 55 F 0.16666666666667 0.83333333333333 0.28917789952862 18.998 > 6 56 F 0.66666666666667 0.83333333333333 0.28917789952862 18.998 > 6 57 F 0.00000000000000 0.00000000000000 0.37748876713805 18.998 > 5 58 F 0.50000000000000 0.00000000000000 0.37748876713805 18.998 > 5 59 F 0.00000000000000 0.50000000000000 0.37748876713805 18.998 > 5 60 F 0.50000000000000 0.50000000000000 0.37748876713805 18.998 > 5 61 F 0.00000000000000 0.00000000000000 0.62251123286195 18.998 > 6 62 F 0.50000000000000 0.00000000000000 0.62251123286195 18.998 > 6 63 F 0.00000000000000 0.50000000000000 0.62251123286195 18.998 > 6 64 F 0.50000000000000 0.50000000000000 0.62251123286195 18.998 > 6 65 F 0.33333333333333 0.16666666666667 0.71082210047138 18.998 > 5 66 F 0.83333333333333 0.16666666666667 0.71082210047138 18.998 > 5 67 F 0.33333333333333 0.66666666666667 0.71082210047138 18.998 > 5 68 F 0.83333333333333 0.66666666666667 0.71082210047138 18.998 > 5 69 F 0.33333333333333 0.16666666666667 0.95584456619528 18.998 > 6 70 F 0.83333333333333 0.16666666666667 0.95584456619528 18.998 > 6 71 F 0.33333333333333 0.66666666666667 0.95584456619528 18.998 > 6 72 F 0.83333333333333 0.66666666666667 0.95584456619528 18.998 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9809959 -0.0000000 0.0000000 -0.0000000 4.9809959 0.0000000 0.0000000 0.0000000 4.2520137 -------------------------- Born effective charges -------------------------- 1 Bi 4.6372749 -0.0000000 0.0000000 0.0000000 4.6372749 0.0000000 0.0000000 0.0000000 3.7866671 2 Bi 4.6372749 -0.0000000 0.0000000 0.0000000 4.6372749 0.0000000 0.0000000 0.0000000 3.7866671 3 O -2.6694206 0.0000000 0.0000000 0.0000000 -2.6694206 0.0000000 0.0000000 0.0000000 -1.9695471 4 O -2.6694206 0.0000000 0.0000000 0.0000000 -2.6694206 0.0000000 0.0000000 0.0000000 -1.9695471 5 F -1.9678542 0.0000000 0.0000000 0.0000000 -1.9678542 0.0000000 0.0000000 0.0000000 -1.8171200 6 F -1.9678542 0.0000000 0.0000000 0.0000000 -1.9678542 0.0000000 0.0000000 0.0000000 -1.8171200 ---------------------------------------------------------------------------- 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: 294 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: 0.076 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.081 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 294 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:18:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:18:36]------------------------- 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 1.979076893460121 1.142620577186167 6.709860086666660 b -1.979076893460116 1.142620577186167 6.709860086666660 c 0.000000000000002 -2.285241154372336 6.709860086666660 Atomic positions (fractional): 1 Bi 0.76028873034058 0.76028873034058 0.76028873034058 208.980 2 Bi 0.23971126965942 0.23971126965942 0.23971126965942 208.980 3 O 0.12766648195550 0.12766648195550 0.12766648195550 15.999 4 O 0.87233351804450 0.87233351804450 0.87233351804450 15.999 5 F 0.37748876713805 0.37748876713805 0.37748876713805 18.998 6 F 0.62251123286195 0.62251123286195 0.62251123286195 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.916307573840474 0.000000000000000 0.000000000000000 b -3.958153786920236 6.855723463117006 0.000000000000000 c 0.000000000000000 0.000000000000000 20.129580260000001 Atomic positions (fractional): 1 Bi 0.33333333333333 0.16666666666667 0.09362206367391 208.980 > 1 2 Bi 0.83333333333333 0.16666666666667 0.09362206367391 208.980 > 1 3 Bi 0.33333333333333 0.66666666666667 0.09362206367391 208.980 > 1 4 Bi 0.83333333333333 0.66666666666667 0.09362206367391 208.980 > 1 5 Bi 0.00000000000000 0.00000000000000 0.23971126965942 208.980 > 5 6 Bi 0.50000000000000 0.00000000000000 0.23971126965942 208.980 > 5 7 Bi 0.00000000000000 0.50000000000000 0.23971126965942 208.980 > 5 8 Bi 0.50000000000000 0.50000000000000 0.23971126965942 208.980 > 5 9 Bi 0.16666666666667 0.33333333333333 0.42695539700725 208.980 > 1 10 Bi 0.66666666666667 0.33333333333333 0.42695539700725 208.980 > 1 11 Bi 0.16666666666667 0.83333333333333 0.42695539700725 208.980 > 1 12 Bi 0.66666666666667 0.83333333333333 0.42695539700725 208.980 > 1 13 Bi 0.33333333333333 0.16666666666667 0.57304460299275 208.980 > 5 14 Bi 0.83333333333333 0.16666666666667 0.57304460299275 208.980 > 5 15 Bi 0.33333333333333 0.66666666666667 0.57304460299275 208.980 > 5 16 Bi 0.83333333333333 0.66666666666667 0.57304460299275 208.980 > 5 17 Bi 0.00000000000000 0.00000000000000 0.76028873034058 208.980 > 1 18 Bi 0.50000000000000 0.00000000000000 0.76028873034058 208.980 > 1 19 Bi 0.00000000000000 0.50000000000000 0.76028873034058 208.980 > 1 20 Bi 0.50000000000000 0.50000000000000 0.76028873034058 208.980 > 1 21 Bi 0.16666666666667 0.33333333333333 0.90637793632608 208.980 > 5 22 Bi 0.66666666666667 0.33333333333333 0.90637793632608 208.980 > 5 23 Bi 0.16666666666667 0.83333333333333 0.90637793632608 208.980 > 5 24 Bi 0.66666666666667 0.83333333333333 0.90637793632608 208.980 > 5 25 O 0.00000000000000 0.00000000000000 0.12766648195550 15.999 > 25 26 O 0.50000000000000 0.00000000000000 0.12766648195550 15.999 > 25 27 O 0.00000000000000 0.50000000000000 0.12766648195550 15.999 > 25 28 O 0.50000000000000 0.50000000000000 0.12766648195550 15.999 > 25 29 O 0.33333333333333 0.16666666666667 0.20566685137783 15.999 > 29 30 O 0.83333333333333 0.16666666666667 0.20566685137783 15.999 > 29 31 O 0.33333333333333 0.66666666666667 0.20566685137783 15.999 > 29 32 O 0.83333333333333 0.66666666666667 0.20566685137783 15.999 > 29 33 O 0.33333333333333 0.16666666666667 0.46099981528883 15.999 > 25 34 O 0.83333333333333 0.16666666666667 0.46099981528883 15.999 > 25 35 O 0.33333333333333 0.66666666666667 0.46099981528883 15.999 > 25 36 O 0.83333333333333 0.66666666666667 0.46099981528883 15.999 > 25 37 O 0.16666666666667 0.33333333333333 0.53900018471117 15.999 > 29 38 O 0.66666666666667 0.33333333333333 0.53900018471117 15.999 > 29 39 O 0.16666666666667 0.83333333333333 0.53900018471117 15.999 > 29 40 O 0.66666666666667 0.83333333333333 0.53900018471117 15.999 > 29 41 O 0.16666666666667 0.33333333333333 0.79433314862217 15.999 > 25 42 O 0.66666666666667 0.33333333333333 0.79433314862217 15.999 > 25 43 O 0.16666666666667 0.83333333333333 0.79433314862217 15.999 > 25 44 O 0.66666666666667 0.83333333333333 0.79433314862217 15.999 > 25 45 O 0.00000000000000 0.00000000000000 0.87233351804450 15.999 > 29 46 O 0.50000000000000 0.00000000000000 0.87233351804450 15.999 > 29 47 O 0.00000000000000 0.50000000000000 0.87233351804450 15.999 > 29 48 O 0.50000000000000 0.50000000000000 0.87233351804450 15.999 > 29 49 F 0.16666666666667 0.33333333333333 0.04415543380472 18.998 > 49 50 F 0.66666666666667 0.33333333333333 0.04415543380472 18.998 > 49 51 F 0.16666666666667 0.83333333333333 0.04415543380472 18.998 > 49 52 F 0.66666666666667 0.83333333333333 0.04415543380472 18.998 > 49 53 F 0.16666666666667 0.33333333333333 0.28917789952862 18.998 > 53 54 F 0.66666666666667 0.33333333333333 0.28917789952862 18.998 > 53 55 F 0.16666666666667 0.83333333333333 0.28917789952862 18.998 > 53 56 F 0.66666666666667 0.83333333333333 0.28917789952862 18.998 > 53 57 F 0.00000000000000 0.00000000000000 0.37748876713805 18.998 > 49 58 F 0.50000000000000 0.00000000000000 0.37748876713805 18.998 > 49 59 F 0.00000000000000 0.50000000000000 0.37748876713805 18.998 > 49 60 F 0.50000000000000 0.50000000000000 0.37748876713805 18.998 > 49 61 F 0.00000000000000 0.00000000000000 0.62251123286195 18.998 > 53 62 F 0.50000000000000 0.00000000000000 0.62251123286195 18.998 > 53 63 F 0.00000000000000 0.50000000000000 0.62251123286195 18.998 > 53 64 F 0.50000000000000 0.50000000000000 0.62251123286195 18.998 > 53 65 F 0.33333333333333 0.16666666666667 0.71082210047138 18.998 > 49 66 F 0.83333333333333 0.16666666666667 0.71082210047138 18.998 > 49 67 F 0.33333333333333 0.66666666666667 0.71082210047138 18.998 > 49 68 F 0.83333333333333 0.66666666666667 0.71082210047138 18.998 > 49 69 F 0.33333333333333 0.16666666666667 0.95584456619528 18.998 > 53 70 F 0.83333333333333 0.16666666666667 0.95584456619528 18.998 > 53 71 F 0.33333333333333 0.66666666666667 0.95584456619528 18.998 > 53 72 F 0.83333333333333 0.66666666666667 0.95584456619528 18.998 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9809959 -0.0000000 0.0000000 -0.0000000 4.9809959 0.0000000 0.0000000 0.0000000 4.2520137 -------------------------- Born effective charges -------------------------- 1 Bi 4.6372749 -0.0000000 0.0000000 0.0000000 4.6372749 0.0000000 0.0000000 0.0000000 3.7866671 2 Bi 4.6372749 -0.0000000 0.0000000 0.0000000 4.6372749 0.0000000 0.0000000 0.0000000 3.7866671 3 O -2.6694206 0.0000000 0.0000000 0.0000000 -2.6694206 0.0000000 0.0000000 0.0000000 -1.9695471 4 O -2.6694206 0.0000000 0.0000000 0.0000000 -2.6694206 0.0000000 0.0000000 0.0000000 -1.9695471 5 F -1.9678542 0.0000000 0.0000000 0.0000000 -1.9678542 0.0000000 0.0000000 0.0000000 -1.8171200 6 F -1.9678542 0.0000000 0.0000000 0.0000000 -1.9678542 0.0000000 0.0000000 0.0000000 -1.8171200 ---------------------------------------------------------------------------- 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: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:18:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:18:40]------------------------- 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 1.979076893460121 1.142620577186167 6.709860086666660 b -1.979076893460116 1.142620577186167 6.709860086666660 c 0.000000000000002 -2.285241154372336 6.709860086666660 Atomic positions (fractional): 1 Bi 0.76028873034058 0.76028873034058 0.76028873034058 208.980 2 Bi 0.23971126965942 0.23971126965942 0.23971126965942 208.980 3 O 0.12766648195550 0.12766648195550 0.12766648195550 15.999 4 O 0.87233351804450 0.87233351804450 0.87233351804450 15.999 5 F 0.37748876713805 0.37748876713805 0.37748876713805 18.998 6 F 0.62251123286195 0.62251123286195 0.62251123286195 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.916307573840474 0.000000000000000 0.000000000000000 b -3.958153786920236 6.855723463117006 0.000000000000000 c 0.000000000000000 0.000000000000000 20.129580260000001 Atomic positions (fractional): 1 Bi 0.33333333333333 0.16666666666667 0.09362206367391 208.980 > 1 2 Bi 0.83333333333333 0.16666666666667 0.09362206367391 208.980 > 1 3 Bi 0.33333333333333 0.66666666666667 0.09362206367391 208.980 > 1 4 Bi 0.83333333333333 0.66666666666667 0.09362206367391 208.980 > 1 5 Bi 0.00000000000000 0.00000000000000 0.23971126965942 208.980 > 5 6 Bi 0.50000000000000 0.00000000000000 0.23971126965942 208.980 > 5 7 Bi 0.00000000000000 0.50000000000000 0.23971126965942 208.980 > 5 8 Bi 0.50000000000000 0.50000000000000 0.23971126965942 208.980 > 5 9 Bi 0.16666666666667 0.33333333333333 0.42695539700725 208.980 > 1 10 Bi 0.66666666666667 0.33333333333333 0.42695539700725 208.980 > 1 11 Bi 0.16666666666667 0.83333333333333 0.42695539700725 208.980 > 1 12 Bi 0.66666666666667 0.83333333333333 0.42695539700725 208.980 > 1 13 Bi 0.33333333333333 0.16666666666667 0.57304460299275 208.980 > 5 14 Bi 0.83333333333333 0.16666666666667 0.57304460299275 208.980 > 5 15 Bi 0.33333333333333 0.66666666666667 0.57304460299275 208.980 > 5 16 Bi 0.83333333333333 0.66666666666667 0.57304460299275 208.980 > 5 17 Bi 0.00000000000000 0.00000000000000 0.76028873034058 208.980 > 1 18 Bi 0.50000000000000 0.00000000000000 0.76028873034058 208.980 > 1 19 Bi 0.00000000000000 0.50000000000000 0.76028873034058 208.980 > 1 20 Bi 0.50000000000000 0.50000000000000 0.76028873034058 208.980 > 1 21 Bi 0.16666666666667 0.33333333333333 0.90637793632608 208.980 > 5 22 Bi 0.66666666666667 0.33333333333333 0.90637793632608 208.980 > 5 23 Bi 0.16666666666667 0.83333333333333 0.90637793632608 208.980 > 5 24 Bi 0.66666666666667 0.83333333333333 0.90637793632608 208.980 > 5 25 O 0.00000000000000 0.00000000000000 0.12766648195550 15.999 > 25 26 O 0.50000000000000 0.00000000000000 0.12766648195550 15.999 > 25 27 O 0.00000000000000 0.50000000000000 0.12766648195550 15.999 > 25 28 O 0.50000000000000 0.50000000000000 0.12766648195550 15.999 > 25 29 O 0.33333333333333 0.16666666666667 0.20566685137783 15.999 > 29 30 O 0.83333333333333 0.16666666666667 0.20566685137783 15.999 > 29 31 O 0.33333333333333 0.66666666666667 0.20566685137783 15.999 > 29 32 O 0.83333333333333 0.66666666666667 0.20566685137783 15.999 > 29 33 O 0.33333333333333 0.16666666666667 0.46099981528883 15.999 > 25 34 O 0.83333333333333 0.16666666666667 0.46099981528883 15.999 > 25 35 O 0.33333333333333 0.66666666666667 0.46099981528883 15.999 > 25 36 O 0.83333333333333 0.66666666666667 0.46099981528883 15.999 > 25 37 O 0.16666666666667 0.33333333333333 0.53900018471117 15.999 > 29 38 O 0.66666666666667 0.33333333333333 0.53900018471117 15.999 > 29 39 O 0.16666666666667 0.83333333333333 0.53900018471117 15.999 > 29 40 O 0.66666666666667 0.83333333333333 0.53900018471117 15.999 > 29 41 O 0.16666666666667 0.33333333333333 0.79433314862217 15.999 > 25 42 O 0.66666666666667 0.33333333333333 0.79433314862217 15.999 > 25 43 O 0.16666666666667 0.83333333333333 0.79433314862217 15.999 > 25 44 O 0.66666666666667 0.83333333333333 0.79433314862217 15.999 > 25 45 O 0.00000000000000 0.00000000000000 0.87233351804450 15.999 > 29 46 O 0.50000000000000 0.00000000000000 0.87233351804450 15.999 > 29 47 O 0.00000000000000 0.50000000000000 0.87233351804450 15.999 > 29 48 O 0.50000000000000 0.50000000000000 0.87233351804450 15.999 > 29 49 F 0.16666666666667 0.33333333333333 0.04415543380472 18.998 > 49 50 F 0.66666666666667 0.33333333333333 0.04415543380472 18.998 > 49 51 F 0.16666666666667 0.83333333333333 0.04415543380472 18.998 > 49 52 F 0.66666666666667 0.83333333333333 0.04415543380472 18.998 > 49 53 F 0.16666666666667 0.33333333333333 0.28917789952862 18.998 > 53 54 F 0.66666666666667 0.33333333333333 0.28917789952862 18.998 > 53 55 F 0.16666666666667 0.83333333333333 0.28917789952862 18.998 > 53 56 F 0.66666666666667 0.83333333333333 0.28917789952862 18.998 > 53 57 F 0.00000000000000 0.00000000000000 0.37748876713805 18.998 > 49 58 F 0.50000000000000 0.00000000000000 0.37748876713805 18.998 > 49 59 F 0.00000000000000 0.50000000000000 0.37748876713805 18.998 > 49 60 F 0.50000000000000 0.50000000000000 0.37748876713805 18.998 > 49 61 F 0.00000000000000 0.00000000000000 0.62251123286195 18.998 > 53 62 F 0.50000000000000 0.00000000000000 0.62251123286195 18.998 > 53 63 F 0.00000000000000 0.50000000000000 0.62251123286195 18.998 > 53 64 F 0.50000000000000 0.50000000000000 0.62251123286195 18.998 > 53 65 F 0.33333333333333 0.16666666666667 0.71082210047138 18.998 > 49 66 F 0.83333333333333 0.16666666666667 0.71082210047138 18.998 > 49 67 F 0.33333333333333 0.66666666666667 0.71082210047138 18.998 > 49 68 F 0.83333333333333 0.66666666666667 0.71082210047138 18.998 > 49 69 F 0.33333333333333 0.16666666666667 0.95584456619528 18.998 > 53 70 F 0.83333333333333 0.16666666666667 0.95584456619528 18.998 > 53 71 F 0.33333333333333 0.66666666666667 0.95584456619528 18.998 > 53 72 F 0.83333333333333 0.66666666666667 0.95584456619528 18.998 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9809959 -0.0000000 0.0000000 -0.0000000 4.9809959 0.0000000 0.0000000 0.0000000 4.2520137 -------------------------- Born effective charges -------------------------- 1 Bi 4.6372749 -0.0000000 0.0000000 0.0000000 4.6372749 0.0000000 0.0000000 0.0000000 3.7866671 2 Bi 4.6372749 -0.0000000 0.0000000 0.0000000 4.6372749 0.0000000 0.0000000 0.0000000 3.7866671 3 O -2.6694206 0.0000000 0.0000000 0.0000000 -2.6694206 0.0000000 0.0000000 0.0000000 -1.9695471 4 O -2.6694206 0.0000000 0.0000000 0.0000000 -2.6694206 0.0000000 0.0000000 0.0000000 -1.9695471 5 F -1.9678542 0.0000000 0.0000000 0.0000000 -1.9678542 0.0000000 0.0000000 0.0000000 -1.8171200 6 F -1.9678542 0.0000000 0.0000000 0.0000000 -1.9678542 0.0000000 0.0000000 0.0000000 -1.8171200 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] 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: 0.92, Number of G-points: 313, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 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 1.991 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 4.162 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 5.305 ( 0.000 0.000 0.000) 0.000 5.305 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 9.932 ( 0.000 0.000 0.000) 0.000 9.932 ( 0.000 0.000 0.000) 0.000 11.400 ( 0.000 0.000 0.000) 0.000 11.400 ( 0.000 0.000 0.000) 0.000 13.272 ( 0.000 0.000 0.000) 0.000 14.444 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 18.359 10.600 2.799) 21.384 0.613 ( 25.717 14.848 -2.000) 29.763 0.906 ( 38.193 22.051 7.560) 44.745 2.010 ( 1.554 0.897 -0.141) 1.800 2.192 ( 16.527 9.542 0.066) 19.084 4.171 ( 0.680 0.392 0.360) 0.864 4.292 ( -4.588 -2.649 -2.970) 6.074 4.625 ( 8.510 4.913 -3.091) 10.301 5.432 ( 10.355 5.978 3.859) 12.564 5.441 ( 11.265 6.504 -5.474) 14.113 6.783 ( -12.652 -7.305 2.591) 14.838 8.621 ( -1.480 -0.854 -2.067) 2.682 9.767 ( -14.500 -8.372 0.028) 16.743 11.324 ( -6.560 -3.788 0.207) 7.578 11.335 ( -5.651 -3.262 0.005) 6.525 13.002 ( -12.476 -7.203 -36.298) 39.052 13.738 ( 19.228 11.101 -80.556) 83.560 14.639 ( -14.004 -8.085 92.592) 93.994 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 19.202 11.086 1.935) 22.257 1.112 ( 18.883 10.902 -1.428) 21.851 1.742 ( 33.536 19.362 7.360) 39.418 2.054 ( 2.307 1.332 -0.305) 2.681 2.658 ( 23.219 13.405 0.961) 26.828 4.150 ( -3.534 -2.040 -3.438) 5.336 4.228 ( 1.716 0.991 -3.294) 3.844 4.885 ( 15.570 8.989 -5.771) 18.882 5.672 ( 9.345 5.396 -12.766) 16.716 5.759 ( 16.068 9.277 7.111) 19.869 6.458 ( -15.561 -8.984 9.707) 20.422 8.523 ( -6.868 -3.965 -4.663) 9.200 9.293 ( -27.331 -15.779 0.013) 31.559 11.122 ( -11.007 -6.355 -0.585) 12.723 11.159 ( -9.560 -5.519 -0.056) 11.039 12.564 ( -17.004 -9.817 -23.664) 30.749 13.819 ( 3.587 2.071 -27.747) 28.055 14.649 ( -4.863 -2.807 42.763) 43.130 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 18.081 10.439 1.459) 20.930 1.452 ( 12.012 6.935 -0.751) 13.890 2.105 ( 2.204 1.273 -0.514) 2.597 2.439 ( 25.999 15.010 6.726) 30.765 3.178 ( 21.102 12.183 2.605) 24.505 4.062 ( -1.883 -1.087 -6.952) 7.284 4.289 ( 4.183 2.415 -2.290) 5.345 5.251 ( 17.790 10.271 -7.225) 21.775 5.659 ( -6.265 -3.617 -14.570) 16.267 6.150 ( 15.303 8.835 9.038) 19.848 6.276 ( -4.016 -2.319 15.632) 16.305 8.261 ( -14.893 -8.599 -7.471) 18.750 8.564 ( -36.846 -21.273 -0.024) 42.546 10.840 ( -13.556 -7.827 -2.796) 15.901 10.933 ( -9.730 -5.618 -0.223) 11.238 12.113 ( -16.667 -9.623 -14.894) 24.336 13.730 ( -5.061 -2.922 -10.357) 11.892 14.699 ( -0.719 -0.415 23.070) 23.085 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 16.181 9.342 1.454) 18.741 1.665 ( 7.544 4.355 -0.135) 8.712 2.144 ( 1.414 0.816 -0.763) 1.802 2.937 ( 16.208 9.358 5.315) 19.455 3.518 ( 5.893 3.402 1.852) 7.052 4.093 ( 8.883 5.129 -5.464) 11.622 4.393 ( 5.411 3.124 -1.874) 6.523 5.448 ( -7.181 -4.146 -3.256) 8.908 5.575 ( 11.481 6.629 -5.832) 14.483 6.256 ( -3.830 -2.211 11.481) 12.303 6.474 ( 10.730 6.195 7.618) 14.545 7.679 ( -40.803 -23.558 0.356) 47.117 7.809 ( -22.318 -12.885 -10.435) 27.803 10.486 ( -17.031 -9.833 -5.119) 20.321 10.756 ( -5.316 -3.069 -0.397) 6.151 11.759 ( -10.682 -6.167 -8.395) 14.920 13.558 ( -7.372 -4.256 -4.640) 9.695 14.757 ( 0.212 0.122 13.999) 14.001 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 5.189 2.996 0.366) 6.003 2.000 ( 14.315 8.265 1.873) 16.635 2.159 ( 0.147 0.085 -0.980) 0.994 3.158 ( 0.856 0.494 2.159) 2.375 3.555 ( 2.589 1.495 -0.587) 3.047 4.359 ( 10.915 6.302 1.636) 12.709 4.515 ( 6.873 3.968 -2.409) 8.294 5.360 ( -1.124 -0.649 6.118) 6.254 5.674 ( -1.825 -1.054 -1.538) 2.609 6.158 ( -7.473 -4.315 8.390) 12.035 6.562 ( -17.977 -10.379 -1.915) 20.846 6.923 ( -11.542 -6.664 5.527) 14.428 7.221 ( -25.603 -14.782 -13.344) 32.435 10.054 ( -19.086 -11.020 -5.142) 22.631 10.704 ( 0.582 0.336 -0.360) 0.763 11.582 ( -3.666 -2.116 -4.844) 6.432 13.392 ( -5.983 -3.454 -3.052) 7.552 14.799 ( 0.180 0.104 8.950) 8.952 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 3.628 2.094 0.646) 4.238 2.145 ( -0.986 -0.569 -1.005) 1.519 2.310 ( 12.655 7.306 2.422) 14.812 3.043 ( -8.497 -4.906 -0.879) 9.851 3.682 ( 6.944 4.009 0.305) 8.024 4.474 ( 0.283 0.164 3.499) 3.514 4.715 ( 9.160 5.288 -1.634) 10.702 5.417 ( 2.807 1.620 11.898) 12.331 5.529 ( -8.844 -5.106 -0.609) 10.230 5.885 ( -28.949 -16.714 0.381) 33.430 6.008 ( -6.962 -4.020 5.130) 9.537 6.621 ( -22.375 -12.918 -15.224) 29.988 7.022 ( 7.174 4.142 1.666) 8.450 9.644 ( -15.037 -8.682 -3.369) 17.687 10.754 ( 3.147 1.817 -0.162) 3.638 11.529 ( -0.528 -0.305 -2.935) 2.997 13.278 ( -3.336 -1.926 -2.100) 4.387 14.825 ( 0.078 0.045 5.154) 5.154 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 1.537 0.887 0.423) 1.824 2.119 ( -0.800 -0.462 -0.541) 1.071 2.585 ( 11.064 6.388 2.517) 13.021 2.829 ( -9.806 -5.661 -1.918) 11.484 3.813 ( 3.668 2.118 0.003) 4.236 4.462 ( -1.184 -0.684 1.687) 2.171 4.851 ( 3.032 1.750 -0.377) 3.521 5.361 ( -3.262 -1.883 -7.480) 8.374 5.418 ( -12.515 -7.225 7.788) 16.416 5.527 ( 2.650 1.530 8.785) 9.303 5.921 ( -1.290 -0.745 2.977) 3.329 6.177 ( -11.479 -6.628 -11.091) 17.283 7.144 ( 2.911 1.681 0.188) 3.367 9.397 ( -5.669 -3.273 -1.142) 6.645 10.812 ( 1.586 0.916 -0.030) 1.832 11.519 ( 0.031 0.018 -1.043) 1.043 13.226 ( -0.986 -0.570 -0.773) 1.377 14.837 ( 0.021 0.012 1.696) 1.697 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -0.000 19.238 15.101) 24.457 0.660 ( 0.000 28.862 7.203) 29.747 0.867 ( 0.000 43.298 0.047) 43.298 2.009 ( 0.000 1.821 -0.154) 1.827 2.192 ( 0.000 18.952 0.084) 18.952 4.172 ( -0.000 0.727 0.503) 0.884 4.338 ( -0.000 -3.683 5.406) 6.542 4.664 ( -0.000 11.646 4.763) 12.582 5.386 ( 0.000 9.779 -5.369) 11.156 5.467 ( 0.000 14.692 -0.155) 14.693 6.789 ( -0.000 -15.067 3.708) 15.517 8.613 ( 0.000 -1.480 -3.570) 3.865 9.772 ( -0.000 -16.573 0.887) 16.597 11.311 ( 0.000 -7.727 -2.861) 8.239 11.331 ( -0.000 -6.640 -0.833) 6.692 12.840 ( 0.000 6.161 -75.040) 75.292 13.559 ( 0.000 34.200 -52.882) 62.977 14.861 ( -0.000 -37.898 84.680) 92.774 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 7.794 18.721 8.880) 22.137 1.053 ( 9.744 23.164 1.712) 25.188 1.501 ( 23.758 31.500 4.462) 39.707 2.045 ( 1.486 2.693 -0.296) 3.090 2.516 ( 13.072 21.807 0.346) 25.428 4.189 ( 1.053 0.642 0.543) 1.347 4.222 ( -8.507 -1.642 2.432) 8.999 4.868 ( 4.689 19.018 0.309) 19.590 5.559 ( 8.361 11.184 -9.081) 16.657 5.686 ( 7.809 14.897 0.812) 16.839 6.560 ( -8.092 -17.887 8.032) 21.212 8.553 ( -3.109 -3.860 -5.254) 7.224 9.462 ( -13.817 -22.946 0.962) 26.802 11.174 ( -4.690 -11.344 -2.503) 12.528 11.191 ( -5.977 -9.585 -0.591) 11.312 12.583 ( -7.902 -8.151 -36.907) 38.613 13.757 ( 3.846 19.147 -29.987) 35.786 14.735 ( -1.771 -23.450 47.479) 52.984 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 13.560 15.770 4.046) 21.188 1.403 ( 8.055 16.619 0.232) 18.470 2.082 ( 4.112 3.788 -0.025) 5.590 2.213 ( 22.167 20.938 4.508) 30.824 2.998 ( 18.364 19.479 1.421) 26.808 4.090 ( -5.820 -0.559 -1.401) 6.013 4.227 ( 2.801 0.531 0.242) 2.861 5.170 ( 7.986 20.792 -3.851) 22.603 5.677 ( -1.636 4.322 -15.428) 16.105 6.016 ( 14.162 11.100 5.013) 18.679 6.334 ( -3.452 -11.046 15.523) 19.362 8.372 ( -9.981 -7.465 -7.211) 14.399 8.885 ( -26.301 -25.718 0.887) 36.796 10.908 ( -10.230 -14.408 -2.606) 17.862 10.986 ( -5.819 -10.547 -0.692) 12.066 12.207 ( -13.065 -10.962 -21.550) 27.482 13.807 ( -5.174 8.389 -13.270) 16.530 14.683 ( 3.306 -15.611 26.710) 31.114 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 14.061 13.201 1.605) 19.353 1.652 ( 4.822 12.933 0.216) 13.804 2.140 ( 1.112 2.652 -0.874) 3.005 2.763 ( 18.891 13.386 3.808) 23.464 3.455 ( 12.686 13.508 2.761) 18.735 4.022 ( 0.043 1.675 -3.329) 3.727 4.303 ( 5.481 0.550 0.157) 5.510 5.443 ( 3.022 6.338 -5.511) 8.926 5.576 ( -2.255 7.254 -6.311) 9.876 6.304 ( -0.362 -4.184 12.569) 13.252 6.354 ( 12.698 5.634 6.561) 15.363 8.016 ( -18.466 -10.284 -9.752) 23.278 8.116 ( -35.549 -23.601 0.964) 42.681 10.547 ( -12.507 -17.874 -3.838) 22.150 10.817 ( -3.365 -6.183 -0.842) 7.089 11.825 ( -11.777 -10.635 -13.350) 20.737 13.688 ( -10.689 2.775 -5.133) 12.178 14.700 ( 5.607 -11.843 15.498) 20.295 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 4.773 7.893 0.527) 9.239 1.893 ( 10.417 14.583 0.545) 17.930 2.169 ( -0.015 2.305 -1.225) 2.611 3.108 ( 9.354 5.340 1.221) 10.840 3.598 ( -3.709 4.995 0.769) 6.268 4.200 ( 14.387 6.864 0.522) 15.949 4.413 ( 6.527 0.002 0.791) 6.574 5.393 ( -1.951 -0.972 2.917) 3.641 5.696 ( 0.699 5.073 -2.306) 5.616 6.256 ( -5.313 -3.913 8.435) 10.709 6.567 ( 6.425 -1.223 3.599) 7.465 7.297 ( -37.310 -14.427 2.227) 40.064 7.510 ( -24.577 -8.969 -12.644) 29.058 10.123 ( -13.464 -20.562 -4.353) 24.960 10.761 ( -0.624 2.052 -0.915) 2.332 11.548 ( -4.351 -10.285 -8.261) 13.891 13.502 ( -10.706 0.250 -2.635) 11.029 14.730 ( 5.681 -10.544 9.769) 15.456 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 1.520 6.957 0.759) 7.161 2.147 ( 1.494 2.304 -1.298) 3.038 2.238 ( 7.823 12.571 0.319) 14.810 3.151 ( -6.105 -0.060 -2.096) 6.455 3.633 ( 3.184 5.297 1.263) 6.308 4.448 ( 4.127 0.424 5.652) 7.011 4.558 ( 12.605 1.864 -0.931) 12.776 5.424 ( 2.397 1.466 9.169) 9.589 5.621 ( -7.421 -5.373 -0.620) 9.183 6.115 ( -8.882 -3.734 5.041) 10.874 6.352 ( -29.774 -4.370 0.979) 30.109 6.770 ( -16.384 -11.875 -4.363) 20.700 7.088 ( -10.251 6.648 -7.632) 14.406 9.694 ( -11.386 -20.110 -3.476) 23.370 10.814 ( -0.172 9.178 -0.469) 9.192 11.420 ( 3.521 -11.135 -5.157) 12.766 13.335 ( -7.218 -1.362 -1.839) 7.572 14.748 ( 5.331 -10.151 5.996) 12.939 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -0.014 5.575 0.697) 5.618 2.139 ( -1.468 0.792 -1.211) 2.062 2.521 ( 8.592 13.034 0.615) 15.623 2.979 ( -11.648 -0.088 -3.108) 12.056 3.765 ( 5.157 3.845 0.656) 6.466 4.460 ( -0.935 -3.420 4.165) 5.469 4.758 ( 8.611 -0.757 0.644) 8.668 5.424 ( -6.526 -2.739 -4.006) 8.132 5.531 ( 2.267 1.743 9.502) 9.923 5.838 ( -30.405 9.060 5.466) 32.194 5.969 ( -5.263 -2.853 2.997) 6.695 6.321 ( -17.517 -6.608 -10.635) 21.531 7.129 ( 2.351 5.959 -2.730) 6.963 9.367 ( -4.294 -16.191 -1.879) 16.856 10.900 ( -2.563 11.995 0.084) 12.266 11.390 ( 7.214 -12.028 -2.690) 14.281 13.229 ( -2.502 -2.445 -0.938) 3.622 14.752 ( 5.075 -10.034 2.723) 11.569 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -2.483 3.779 -0.222) 4.527 2.129 ( -0.548 1.712 0.017) 1.798 2.754 ( -13.010 0.973 -3.794) 13.587 2.776 ( 6.566 10.883 0.479) 12.719 3.839 ( -0.208 0.345 0.353) 0.535 4.420 ( 0.423 -3.230 0.472) 3.291 4.828 ( 2.505 -4.437 1.182) 5.231 5.373 ( 0.227 5.192 -3.669) 6.361 5.536 ( -3.270 -1.075 -5.707) 6.665 5.591 ( -14.814 18.708 5.012) 24.384 5.926 ( -1.962 0.431 0.277) 2.028 6.140 ( 2.290 5.497 4.477) 7.450 7.182 ( -1.018 3.082 -1.429) 3.546 9.249 ( 6.465 -10.284 -0.222) 12.149 10.940 ( -6.423 11.110 0.432) 12.841 11.395 ( 7.827 -12.313 -0.371) 14.594 13.198 ( 1.450 -1.897 0.373) 2.417 14.743 ( 4.914 -10.011 -0.479) 11.163 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -4.817 2.623 -0.757) 5.537 2.149 ( 0.191 2.037 0.877) 2.226 2.500 ( -15.280 -0.133 -3.525) 15.682 2.992 ( 6.087 10.030 -0.399) 11.739 3.764 ( -6.283 -2.709 0.453) 6.857 4.423 ( 2.622 -2.228 -3.201) 4.700 4.765 ( -3.520 -7.867 2.137) 8.880 5.412 ( -3.010 -1.611 -12.164) 12.634 5.461 ( 4.132 4.794 1.458) 6.495 5.801 ( 8.429 30.293 -1.753) 31.492 5.947 ( 2.933 4.171 -1.287) 5.258 6.432 ( 16.587 8.887 10.862) 21.728 7.146 ( -6.367 3.852 0.733) 7.477 9.383 ( 17.284 -4.411 1.418) 17.895 10.903 ( -9.110 8.317 0.646) 12.352 11.411 ( 7.784 -11.509 1.468) 13.971 13.243 ( 3.850 1.102 1.804) 4.392 14.720 ( 4.775 -10.049 -3.725) 11.733 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -6.617 2.108 -0.463) 6.960 2.154 ( -4.682 -0.267 -0.220) 4.695 2.229 ( -12.702 0.810 -1.470) 12.812 3.150 ( 2.561 5.157 -2.199) 6.164 3.631 ( -6.147 -0.234 1.022) 6.236 4.399 ( -1.753 -4.443 -4.031) 6.250 4.583 ( -7.595 -9.978 3.865) 13.122 5.332 ( -0.352 0.323 -9.197) 9.210 5.628 ( 7.687 3.723 0.688) 8.569 6.071 ( 5.443 6.322 -3.618) 9.093 6.349 ( 20.893 23.623 0.366) 31.539 6.791 ( 12.045 1.318 0.054) 12.117 7.173 ( 3.740 17.628 9.012) 20.148 9.726 ( 24.263 -0.561 3.066) 24.463 10.820 ( -7.827 4.929 0.830) 9.287 11.459 ( 8.953 -7.689 2.687) 12.104 13.360 ( 5.096 5.609 3.105) 8.189 14.682 ( 4.569 -10.206 -7.125) 13.259 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -9.212 -0.476 -0.161) 9.225 1.883 ( -17.753 -0.788 -1.406) 17.826 2.180 ( -2.102 1.262 0.779) 2.573 3.078 ( -10.427 -4.741 -4.548) 12.324 3.596 ( -3.491 4.465 0.166) 5.670 4.210 ( -10.221 -8.159 2.535) 13.322 4.418 ( -3.331 -7.382 1.802) 8.297 5.370 ( 5.681 2.933 -1.576) 6.585 5.717 ( -2.327 1.296 1.777) 3.202 6.185 ( 2.912 3.987 -5.881) 7.679 6.527 ( -4.948 -7.403 -4.345) 9.908 7.280 ( 32.272 25.603 -1.159) 41.211 7.623 ( 19.434 15.849 10.044) 27.014 10.165 ( 25.076 0.725 3.952) 25.396 10.770 ( -1.491 1.598 0.765) 2.316 11.611 ( 12.986 -0.137 4.131) 13.628 13.539 ( 5.565 9.664 4.747) 12.120 14.625 ( 4.155 -10.611 -11.053) 15.876 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -18.983 -5.535 -0.896) 19.794 1.654 ( -13.393 2.114 0.746) 13.580 2.146 ( -2.982 0.335 0.438) 3.033 2.718 ( -22.087 -8.277 -4.881) 24.087 3.427 ( -18.058 -3.707 -2.754) 18.640 4.074 ( -1.033 -1.546 6.930) 7.175 4.307 ( -2.548 -6.047 1.129) 6.659 5.506 ( -7.025 0.180 6.968) 9.897 5.637 ( 2.245 5.404 5.623) 8.115 6.189 ( -0.973 -1.721 -9.996) 10.190 6.288 ( -11.590 -5.704 -7.092) 14.737 8.089 ( 23.200 11.773 3.597) 26.264 8.120 ( 32.884 16.351 2.989) 36.846 10.581 ( 21.399 1.305 3.031) 21.652 10.822 ( 6.944 -0.295 0.163) 6.953 11.928 ( 18.639 5.908 6.622) 20.644 13.756 ( 4.789 11.911 8.931) 15.639 14.538 ( 3.473 -11.331 -16.752) 20.520 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -21.500 -4.855 -0.373) 22.045 1.407 ( -18.293 0.435 1.119) 18.332 2.079 ( -8.417 -2.679 -0.675) 8.859 2.175 ( -27.328 -5.392 -3.049) 28.022 2.986 ( -25.730 -5.259 -1.086) 26.284 4.119 ( 3.206 0.663 4.174) 5.305 4.229 ( -1.448 -3.699 0.678) 4.030 5.212 ( -22.023 0.196 4.482) 22.476 5.827 ( -3.602 1.647 13.613) 14.178 5.954 ( -15.464 -3.574 -7.080) 17.379 6.200 ( 12.291 -0.197 -10.862) 16.404 8.423 ( 11.411 3.675 2.952) 12.347 8.881 ( 35.398 9.432 0.214) 36.633 10.927 ( 17.051 1.555 1.085) 17.156 10.988 ( 12.134 -0.008 -0.226) 12.137 12.359 ( 21.803 5.624 7.596) 23.763 13.978 ( 1.296 12.033 21.217) 24.426 14.408 ( 3.263 -11.857 -27.850) 30.444 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -22.375 0.000 0.000) 22.375 1.045 ( -25.265 0.000 0.000) 25.265 1.478 ( -40.146 0.000 0.000) 40.146 2.047 ( -3.070 0.000 0.000) 3.070 2.514 ( -25.403 0.000 0.000) 25.403 4.186 ( -1.241 0.000 0.000) 1.241 4.210 ( 5.691 -0.000 -0.000) 5.691 4.867 ( -18.958 0.000 0.000) 18.958 5.612 ( -15.569 0.000 0.000) 15.569 5.676 ( -16.049 0.000 0.000) 16.049 6.518 ( 20.744 -0.000 -0.000) 20.744 8.580 ( 5.106 -0.000 -0.000) 5.106 9.458 ( 26.805 -0.000 -0.000) 26.805 11.187 ( 12.367 -0.000 -0.000) 12.367 11.193 ( 11.177 -0.000 -0.000) 11.177 12.777 ( 21.501 -0.000 -0.000) 21.501 14.089 ( -7.606 0.000 0.000) 7.606 14.315 ( 6.690 -0.000 -0.000) 6.690 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -0.000 18.735 10.085) 21.277 1.183 ( 0.000 20.259 5.229) 20.923 1.660 ( 0.000 37.737 -0.210) 37.737 2.054 ( 0.000 2.705 -0.348) 2.727 2.645 ( 0.000 25.557 -0.197) 25.558 4.192 ( -0.000 0.893 1.470) 1.720 4.347 ( -0.000 0.982 6.280) 6.357 5.032 ( -0.000 20.635 8.758) 22.417 5.585 ( 0.000 15.036 -10.039) 18.079 5.769 ( 0.000 15.058 -4.355) 15.675 6.449 ( -0.000 -22.544 9.845) 24.600 8.515 ( 0.000 -5.809 -5.501) 8.000 9.312 ( -0.000 -31.091 1.853) 31.146 11.093 ( 0.000 -11.440 -3.651) 12.009 11.146 ( -0.000 -10.995 -1.286) 11.070 12.438 ( 0.000 -11.219 -32.202) 34.100 13.845 ( 0.000 21.440 -25.248) 33.123 14.619 ( -0.000 -28.115 38.624) 47.773 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 4.139 17.961 5.949) 19.368 1.449 ( 6.942 15.658 2.928) 17.376 2.066 ( 4.032 11.480 -0.286) 12.170 2.151 ( 10.925 20.380 0.208) 23.125 2.972 ( 9.562 23.388 0.068) 25.267 4.211 ( -0.605 1.761 3.612) 4.064 4.278 ( -9.933 3.549 4.692) 11.544 5.301 ( 2.701 21.938 4.361) 22.529 5.709 ( -0.252 10.092 -13.282) 16.683 5.934 ( 8.235 10.007 -5.242) 13.980 6.274 ( 0.201 -16.733 16.705) 23.645 8.391 ( -4.373 -9.183 -6.122) 11.872 8.906 ( -10.215 -34.690 2.091) 36.223 10.909 ( -6.912 -13.213 -2.884) 15.188 10.969 ( -6.012 -11.471 -1.481) 13.035 12.169 ( -5.557 -14.613 -22.797) 27.642 13.946 ( -2.277 14.859 -16.494) 22.316 14.499 ( 3.712 -24.217 26.987) 36.449 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 9.358 15.495 1.962) 18.208 1.709 ( 5.907 13.901 1.485) 15.177 2.141 ( 1.707 2.930 -0.998) 3.535 2.615 ( 15.846 17.386 -0.105) 23.524 3.384 ( 13.773 18.010 1.382) 22.715 4.137 ( -9.885 3.887 3.720) 11.254 4.267 ( 1.100 3.175 3.269) 4.688 5.501 ( -1.898 9.482 -4.559) 10.691 5.658 ( -2.467 4.049 -4.122) 6.283 6.207 ( 12.850 7.058 0.320) 14.664 6.274 ( 3.636 -4.823 13.016) 14.349 8.129 ( -11.422 -13.465 -7.994) 19.382 8.342 ( -19.208 -29.210 2.186) 35.027 10.593 ( -12.432 -15.058 -2.796) 19.726 10.761 ( -3.946 -10.930 -1.795) 11.758 11.839 ( -8.715 -14.174 -15.756) 22.915 13.914 ( -10.521 8.877 -7.479) 15.667 14.460 ( 8.760 -20.579 16.358) 27.710 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 9.020 10.673 0.222) 13.976 1.945 ( 5.118 16.499 0.324) 17.278 2.184 ( 0.814 2.438 -1.632) 3.045 2.977 ( 12.546 7.693 -1.767) 14.822 3.716 ( 3.481 11.203 3.111) 12.137 4.086 ( 2.296 4.525 0.572) 5.107 4.349 ( 2.876 3.168 5.738) 7.158 5.429 ( -3.190 -1.943 0.214) 3.742 5.722 ( 0.509 2.822 -0.652) 2.940 6.310 ( -0.662 -1.689 6.438) 6.688 6.441 ( 8.447 0.887 4.103) 9.433 7.681 ( -19.152 -17.961 -5.831) 26.896 7.770 ( -24.603 -11.244 -3.013) 27.218 10.189 ( -16.884 -14.702 -3.504) 22.660 10.655 ( 5.310 -10.467 -1.772) 11.870 11.525 ( -8.023 -10.927 -10.612) 17.216 13.740 ( -15.036 4.658 -2.662) 15.964 14.479 ( 10.279 -18.597 9.708) 23.361 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 4.076 6.974 0.898) 8.128 2.163 ( 0.797 6.546 -2.433) 7.029 2.263 ( 5.801 14.591 -1.110) 15.741 3.165 ( 4.846 2.031 -3.732) 6.445 3.736 ( -6.998 7.478 2.954) 10.659 4.315 ( 15.207 2.367 1.340) 15.449 4.441 ( 2.004 1.483 7.444) 7.850 5.414 ( 1.963 -1.730 5.199) 5.820 5.667 ( -4.671 -5.013 0.419) 6.865 6.233 ( -6.983 -4.363 3.480) 8.939 6.522 ( 0.309 -3.210 3.607) 4.839 7.175 ( -32.099 -0.450 2.295) 32.184 7.300 ( -13.393 -4.038 -13.600) 19.510 9.731 ( -17.804 -15.605 -2.978) 23.861 10.722 ( 13.780 -9.142 -1.833) 16.638 11.306 ( -4.833 -5.433 -6.702) 9.889 13.509 ( -14.305 1.314 -1.247) 14.419 14.497 ( 9.894 -18.150 6.089) 21.550 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 0.884 6.094 1.295) 6.292 2.171 ( -1.347 2.024 -2.460) 3.459 2.547 ( 6.572 18.555 -1.538) 19.745 3.152 ( -6.607 2.426 -4.504) 8.356 3.751 ( 0.495 5.252 2.352) 5.776 4.470 ( -0.514 -2.222 6.037) 6.454 4.565 ( 11.813 -1.764 2.892) 12.289 5.430 ( 0.562 -5.623 -0.325) 5.660 5.573 ( -2.245 1.875 5.522) 6.248 6.052 ( -7.825 -5.582 1.791) 9.778 6.401 ( -14.176 3.432 1.084) 14.625 6.642 ( -31.520 4.438 -0.098) 31.831 7.175 ( -1.992 7.719 -8.808) 11.880 9.308 ( -11.655 -16.614 -1.597) 20.357 10.885 ( 16.986 -12.156 -1.637) 20.952 11.210 ( -3.738 3.224 -3.294) 5.935 13.298 ( -9.501 -1.791 -0.623) 9.688 14.498 ( 9.412 -18.202 3.262) 20.750 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -1.892 4.814 0.332) 5.183 2.164 ( -0.979 2.744 -1.058) 3.100 2.812 ( 4.847 16.705 -1.387) 17.450 3.000 ( -12.974 4.771 -4.362) 14.495 3.830 ( 2.348 1.980 1.053) 3.247 4.423 ( -3.117 -2.723 3.293) 5.289 4.693 ( 7.214 -6.733 2.454) 10.169 5.394 ( 0.651 0.834 -3.898) 4.039 5.571 ( -3.242 -0.476 -0.487) 3.313 5.936 ( -3.227 -0.452 3.536) 4.808 6.221 ( -19.160 20.341 3.595) 28.174 6.268 ( -16.070 7.082 -1.422) 17.619 7.235 ( 0.208 8.787 -3.528) 9.471 9.048 ( 0.353 -14.719 -0.537) 14.733 11.005 ( 16.999 -22.158 -1.257) 27.956 11.204 ( -7.319 14.630 -0.304) 16.361 13.172 ( -2.163 -2.760 0.174) 3.511 14.483 ( 9.116 -18.270 0.535) 20.425 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -3.938 3.134 -1.044) 5.140 2.185 ( -0.646 3.548 0.712) 3.676 2.789 ( -16.376 5.893 -3.636) 17.780 3.027 ( 3.378 13.788 -1.746) 14.302 3.832 ( -3.281 -1.284 1.169) 3.712 4.371 ( -0.395 -1.408 -1.861) 2.367 4.697 ( 1.966 -10.103 2.763) 10.657 5.393 ( -0.834 -2.056 -7.707) 8.020 5.501 ( -2.536 3.888 -1.977) 5.045 5.922 ( -0.742 4.718 1.610) 5.040 6.175 ( -10.054 26.515 0.206) 28.358 6.334 ( 6.917 11.178 3.316) 13.557 7.300 ( -3.403 10.223 2.789) 11.129 9.052 ( 13.520 -7.894 -0.105) 15.656 11.013 ( 10.676 -23.802 -0.402) 26.090 11.222 ( -6.609 13.062 1.325) 14.698 13.184 ( 4.354 0.841 1.305) 4.623 14.454 ( 8.845 -18.173 -2.203) 20.331 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -5.356 2.029 -0.898) 5.797 2.207 ( -1.081 3.097 0.918) 3.406 2.537 ( -18.950 5.784 -2.517) 19.972 3.173 ( 1.401 7.886 -2.355) 8.348 3.742 ( -5.662 1.063 1.511) 5.956 4.354 ( 0.531 -1.896 -4.925) 5.304 4.582 ( -3.613 -12.562 3.981) 13.664 5.315 ( -1.240 -0.653 -9.791) 9.891 5.553 ( 3.535 3.113 2.546) 5.354 6.027 ( 6.158 5.417 -0.603) 8.224 6.354 ( 4.384 13.712 -2.338) 14.585 6.656 ( 12.105 20.197 0.303) 23.549 7.358 ( -3.247 11.853 8.456) 14.917 9.333 ( 22.129 1.731 0.819) 22.211 10.901 ( 1.455 -18.781 -0.008) 18.837 11.268 ( 2.059 4.153 2.094) 5.086 13.332 ( 7.085 7.463 2.685) 10.635 14.413 ( 8.400 -17.940 -4.951) 20.419 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -7.656 0.267 -0.526) 7.679 2.191 ( -9.194 4.213 0.094) 10.114 2.268 ( -13.067 2.691 -0.505) 13.350 3.169 ( -5.425 -0.989 -2.967) 6.262 3.718 ( -3.327 7.495 1.136) 8.278 4.281 ( -5.487 -4.259 -3.330) 7.703 4.394 ( -3.969 -11.347 4.017) 12.675 5.307 ( 3.262 1.572 -4.825) 6.033 5.670 ( 6.094 0.604 0.720) 6.166 6.183 ( 4.500 6.059 -2.132) 7.843 6.461 ( 3.012 -5.086 -1.684) 6.146 7.125 ( 16.271 26.763 -2.613) 31.430 7.536 ( 9.777 8.918 9.407) 16.236 9.785 ( 23.905 7.626 2.148) 25.184 10.740 ( 0.869 -15.726 -0.114) 15.750 11.403 ( 10.103 1.773 2.192) 10.489 13.566 ( 6.825 13.340 4.513) 15.650 14.354 ( 7.601 -17.655 -7.722) 20.715 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -14.140 -1.568 -0.415) 14.233 1.942 ( -17.571 3.573 0.103) 17.931 2.204 ( -2.856 0.592 0.286) 2.930 2.966 ( -14.789 -3.119 -2.181) 15.271 3.674 ( -11.741 2.837 -1.352) 12.154 4.122 ( -5.079 -2.486 3.596) 6.702 4.283 ( -1.427 -5.515 -0.208) 5.701 5.439 ( 10.637 3.162 0.992) 11.142 5.718 ( -1.661 -1.155 -0.501) 2.084 6.232 ( -3.777 2.791 -2.075) 5.135 6.372 ( -5.587 -4.512 -2.100) 7.483 7.694 ( 27.970 14.321 -1.207) 31.446 7.884 ( 18.622 4.357 4.920) 19.747 10.249 ( 21.476 5.818 2.126) 22.351 10.670 ( 6.255 -9.111 -0.432) 11.059 11.664 ( 17.590 2.096 1.928) 17.819 13.837 ( 5.641 15.964 7.511) 18.522 14.272 ( 6.082 -16.808 -10.426) 20.693 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -20.510 0.000 0.000) 20.510 1.694 ( -15.190 0.000 0.000) 15.190 2.152 ( -3.699 0.000 0.000) 3.699 2.610 ( -24.667 0.000 0.000) 24.667 3.375 ( -22.367 0.000 0.000) 22.367 4.094 ( 0.642 -0.000 -0.000) 0.642 4.232 ( -1.316 0.000 0.000) 1.316 5.557 ( -15.791 0.000 0.000) 15.791 5.714 ( 17.192 -0.000 -0.000) 17.192 6.116 ( -9.269 0.000 0.000) 9.269 6.209 ( -10.218 0.000 0.000) 10.218 8.215 ( 16.291 -0.000 -0.000) 16.291 8.314 ( 36.389 -0.000 -0.000) 36.389 10.623 ( 19.613 -0.000 -0.000) 19.613 10.779 ( 11.187 -0.000 -0.000) 11.187 12.021 ( 21.967 -0.000 -0.000) 21.967 14.080 ( 6.321 -0.000 -0.000) 6.321 14.189 ( 1.911 -0.000 -0.000) 1.911 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -0.000 15.782 4.709) 16.470 1.521 ( -0.000 12.043 3.265) 12.477 2.103 ( 0.000 2.574 -0.645) 2.653 2.302 ( 0.000 28.082 -1.950) 28.150 3.119 ( 0.000 22.152 -0.277) 22.153 4.258 ( -0.000 4.821 4.339) 6.486 4.440 ( -0.000 3.377 6.458) 7.288 5.507 ( -0.000 18.981 8.195) 20.675 5.824 ( 0.000 17.531 -10.388) 20.378 5.851 ( 0.000 -4.778 -12.517) 13.398 6.174 ( -0.000 -11.351 18.563) 21.759 8.302 ( 0.000 -12.747 -5.174) 13.757 8.610 ( -0.000 -41.946 2.611) 42.028 10.847 ( -0.000 -11.623 -2.402) 11.869 10.919 ( -0.000 -10.565 -1.071) 10.619 11.977 ( 0.000 -17.552 -20.986) 27.358 14.023 ( 0.000 6.937 -13.080) 14.806 14.344 ( -0.000 -16.575 21.143) 26.865 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 3.712 14.528 1.687) 15.089 1.707 ( 7.580 9.439 2.438) 12.349 2.137 ( 1.369 2.427 -1.000) 2.960 2.595 ( 7.128 19.049 -3.703) 20.674 3.379 ( 7.261 17.523 0.941) 18.991 4.330 ( -0.899 6.957 6.929) 9.860 4.393 ( -10.325 4.483 4.822) 12.245 5.615 ( -6.219 -0.482 -5.874) 8.568 5.704 ( -0.452 1.215 2.272) 2.616 6.093 ( 10.100 13.635 -3.099) 17.249 6.196 ( 4.892 -3.279 10.511) 12.049 8.073 ( -6.665 -26.194 -4.119) 27.341 8.204 ( -1.197 -31.688 1.280) 31.736 10.612 ( -10.106 -16.748 -0.993) 19.585 10.788 ( -5.699 -4.707 -2.402) 7.772 11.724 ( -2.416 -16.514 -16.867) 23.729 14.031 ( 3.837 -3.945 -6.925) 8.846 14.269 ( -3.871 -6.786 13.834) 15.887 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 6.755 11.657 -0.309) 13.476 1.962 ( 10.109 11.229 1.201) 15.157 2.178 ( 1.310 1.790 -1.786) 2.848 2.860 ( 9.333 9.251 -5.353) 14.189 3.685 ( 10.776 11.269 2.979) 15.874 4.249 ( -11.688 4.377 4.413) 13.237 4.419 ( -1.159 8.304 7.351) 11.151 5.445 ( -3.761 -7.942 -0.553) 8.805 5.733 ( -0.379 0.339 0.409) 0.652 6.241 ( 5.540 -5.360 5.166) 9.279 6.393 ( 5.673 10.313 1.865) 11.917 7.626 ( -6.560 -31.538 -4.082) 32.470 7.928 ( -7.810 -15.087 -1.472) 17.052 10.255 ( -8.526 -19.967 -1.542) 21.766 10.602 ( -11.551 -1.749 -3.818) 12.291 11.481 ( -3.576 -11.947 -11.410) 16.903 14.003 ( -4.431 0.135 -6.977) 8.266 14.173 ( 0.668 -13.362 13.050) 18.689 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 5.881 7.241 0.162) 9.330 2.197 ( 0.017 2.331 -2.756) 3.609 2.278 ( 10.997 15.457 -1.019) 18.997 3.049 ( 8.397 2.948 -5.958) 10.710 3.922 ( 1.784 6.321 5.547) 8.597 4.164 ( -0.417 2.932 1.567) 3.350 4.500 ( -1.019 6.074 9.139) 11.021 5.351 ( 1.233 -8.111 2.189) 8.491 5.699 ( -2.600 -1.590 0.893) 3.175 6.245 ( 0.004 -7.922 2.692) 8.367 6.504 ( 0.675 0.926 5.166) 5.292 7.287 ( -2.192 -17.805 -10.026) 20.551 7.616 ( -17.948 -2.642 0.196) 18.143 9.929 ( -12.799 -12.646 -2.650) 18.187 10.379 ( -1.693 -13.435 -4.348) 14.222 11.329 ( -2.021 -2.188 -6.455) 7.109 13.810 ( -17.011 3.205 -2.201) 17.450 14.143 ( 9.837 -20.207 7.048) 23.553 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 3.822 4.750 1.054) 6.187 2.200 ( -0.623 1.925 -3.070) 3.677 2.615 ( 8.629 19.651 -2.602) 21.620 3.161 ( 4.667 1.176 -5.768) 7.512 3.901 ( -8.651 6.091 4.704) 11.579 4.299 ( 11.498 -4.220 1.992) 12.409 4.553 ( -1.692 2.862 9.140) 9.726 5.323 ( 3.733 -7.717 0.148) 8.574 5.653 ( -2.982 1.674 2.898) 4.483 6.111 ( -5.699 -7.913 1.509) 9.868 6.510 ( -1.680 -1.785 4.633) 5.242 7.072 ( -7.766 -6.471 -10.798) 14.791 7.355 ( -15.348 12.297 0.685) 19.678 9.506 ( -24.501 -6.062 -2.388) 25.352 10.317 ( 18.600 -27.692 -3.734) 33.567 11.332 ( -0.362 9.357 -3.022) 9.839 13.523 ( -17.603 0.364 -0.434) 17.612 14.132 ( 10.853 -21.869 3.646) 24.685 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 1.041 3.413 1.068) 3.725 2.199 ( -0.607 2.657 -2.426) 3.649 2.912 ( 4.536 19.777 -2.850) 20.489 3.184 ( -3.120 4.085 -4.982) 7.158 3.853 ( -3.347 3.111 2.753) 5.335 4.401 ( 6.025 -8.251 2.585) 10.539 4.564 ( -0.486 -0.991 6.341) 6.436 5.329 ( 3.957 -3.372 -3.049) 6.027 5.629 ( -3.202 0.258 1.914) 3.739 5.984 ( -3.018 -1.513 2.194) 4.026 6.423 ( -7.265 0.333 -2.719) 7.764 6.848 ( -17.855 10.467 2.452) 20.842 7.363 ( -2.946 18.885 -3.576) 19.445 9.051 ( -17.607 -8.849 -0.989) 19.730 10.379 ( 23.273 -32.448 -2.458) 40.007 11.447 ( -1.871 16.729 -0.812) 16.853 13.259 ( -11.500 -1.827 0.217) 11.646 14.107 ( 11.092 -22.773 1.237) 25.361 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -2.432 1.915 -1.396) 3.396 2.230 ( 0.111 3.375 0.574) 3.425 3.102 ( -11.978 8.588 -3.471) 15.142 3.125 ( 1.268 15.248 -2.650) 15.529 3.853 ( -0.248 -0.103 1.542) 1.565 4.372 ( -0.508 -5.398 0.219) 5.427 4.560 ( 2.081 -7.245 3.925) 8.499 5.344 ( 1.576 -2.709 -5.359) 6.208 5.576 ( -2.910 2.156 -0.621) 3.674 5.985 ( -0.554 2.185 5.185) 5.654 6.320 ( -3.266 2.288 -6.803) 7.885 6.723 ( -15.265 21.920 3.267) 26.911 7.515 ( -4.839 20.954 2.248) 21.622 8.832 ( 2.809 -5.254 -0.670) 5.996 10.426 ( 21.389 -34.680 -1.033) 40.759 11.530 ( -8.601 16.327 0.481) 18.460 13.151 ( -0.009 1.202 0.897) 1.500 14.074 ( 11.230 -22.826 -0.951) 25.457 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -3.778 1.036 -1.158) 4.085 2.256 ( -0.790 2.729 0.819) 2.957 2.924 ( -18.184 9.008 -2.227) 20.415 3.233 ( -0.523 6.966 -2.014) 7.270 3.839 ( -2.749 2.328 1.625) 3.951 4.321 ( 0.184 -2.817 -3.774) 4.713 4.504 ( -0.445 -10.134 3.895) 10.866 5.293 ( -1.072 -2.117 -6.458) 6.881 5.585 ( -0.782 3.775 1.734) 4.227 6.011 ( 0.168 3.123 2.632) 4.088 6.319 ( 3.594 -0.763 -4.843) 6.079 6.829 ( -0.781 26.994 -1.133) 27.029 7.560 ( -7.705 7.614 7.336) 13.083 9.061 ( 18.003 12.808 -0.409) 22.098 10.414 ( 18.126 -35.470 -0.430) 39.835 11.479 ( -11.660 10.193 1.054) 15.523 13.289 ( 8.417 9.604 2.052) 12.934 14.036 ( 10.948 -22.068 -3.005) 24.817 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -5.483 0.278 -0.529) 5.515 2.263 ( -1.212 1.562 0.551) 2.053 2.649 ( -21.665 4.871 -0.858) 22.223 3.229 ( -3.097 0.208 -1.351) 3.386 3.841 ( -2.490 6.084 1.030) 6.654 4.289 ( -0.075 -1.436 -5.255) 5.449 4.377 ( -4.884 -8.864 4.727) 11.170 5.260 ( 1.102 -0.267 -3.608) 3.782 5.618 ( 1.259 1.721 1.477) 2.593 6.107 ( 7.196 2.383 -0.126) 7.582 6.361 ( 3.866 -2.134 -2.008) 4.851 7.165 ( 10.041 24.068 -3.926) 26.372 7.504 ( -1.427 -5.365 7.714) 9.504 9.563 ( 19.021 19.556 0.827) 27.293 10.370 ( 15.223 -28.182 -0.652) 32.037 11.402 ( -4.647 4.359 0.951) 6.442 13.588 ( 9.595 16.484 3.834) 19.455 13.992 ( 10.090 -20.826 -4.908) 23.656 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -8.504 0.000 0.000) 8.504 2.247 ( -1.819 0.000 0.000) 1.819 2.299 ( -21.702 0.000 0.000) 21.702 3.136 ( -7.735 0.000 0.000) 7.735 3.831 ( -4.439 0.000 0.000) 4.439 4.223 ( -7.696 0.000 0.000) 7.696 4.267 ( -0.600 0.000 0.000) 0.600 5.310 ( 5.718 -0.000 -0.000) 5.718 5.677 ( 4.069 -0.000 -0.000) 4.069 6.244 ( 5.219 -0.000 -0.000) 5.219 6.383 ( 0.385 -0.000 -0.000) 0.385 7.475 ( 7.725 -0.000 -0.000) 7.725 7.584 ( 18.686 -0.000 -0.000) 18.686 9.977 ( 17.592 -0.000 -0.000) 17.592 10.450 ( 11.636 -0.000 -0.000) 11.636 11.449 ( 8.067 -0.000 -0.000) 8.067 13.888 ( 5.810 -0.000 -0.000) 5.810 13.975 ( 10.301 -0.000 -0.000) 10.301 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.000 12.520 0.864) 12.550 1.716 ( -0.000 6.833 1.865) 7.083 2.140 ( 0.000 1.719 -0.974) 1.976 2.685 ( 0.000 13.392 -6.533) 14.900 3.486 ( 0.000 15.262 2.382) 15.447 4.443 ( -0.000 8.772 7.216) 11.359 4.542 ( -0.000 3.614 4.893) 6.083 5.566 ( -0.000 -15.717 -1.152) 15.759 5.742 ( 0.000 4.159 -2.011) 4.620 6.130 ( -0.000 -5.179 7.360) 8.999 6.181 ( 0.000 20.283 -0.876) 20.302 7.748 ( -0.000 -47.479 2.884) 47.567 7.949 ( -0.000 -20.072 -4.308) 20.529 10.574 ( -0.000 -17.075 -1.403) 17.133 10.759 ( -0.000 -4.692 -0.292) 4.701 11.539 ( 0.000 -12.142 -16.483) 20.473 13.858 ( -0.000 -14.295 0.916) 14.325 14.370 ( -0.000 5.694 4.741) 7.410 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 3.201 10.952 -0.524) 11.422 1.866 ( 9.540 6.031 1.263) 11.357 2.165 ( 1.433 1.346 -1.357) 2.388 2.795 ( 4.886 5.781 -8.052) 11.051 3.671 ( 4.767 11.116 3.861) 12.697 4.469 ( -7.072 0.127 8.027) 10.698 4.580 ( -3.265 12.035 4.119) 13.132 5.387 ( -2.426 -14.345 0.963) 14.581 5.743 ( -0.773 -1.022 -0.986) 1.617 6.126 ( 3.155 -4.710 3.832) 6.842 6.418 ( 5.381 13.276 0.056) 14.325 7.299 ( 0.274 -42.851 1.230) 42.870 7.760 ( 3.317 -20.625 -3.656) 21.207 10.220 ( -13.517 -22.943 -1.769) 26.687 10.760 ( -1.607 2.779 -1.394) 3.500 11.375 ( -2.571 -7.809 -12.345) 14.832 13.776 ( 5.931 -14.958 0.734) 16.108 14.368 ( -9.008 5.935 4.241) 11.591 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 4.548 7.051 -0.230) 8.394 2.141 ( 11.856 4.302 -1.032) 12.654 2.214 ( 5.128 6.255 -1.744) 8.275 2.913 ( 8.048 1.400 -7.749) 11.259 3.866 ( 6.917 4.958 4.666) 9.706 4.345 ( -9.644 0.999 6.379) 11.606 4.645 ( -3.923 9.433 5.995) 11.845 5.239 ( 0.298 -12.368 1.131) 12.423 5.715 ( -0.263 -1.834 0.418) 1.899 6.145 ( 3.011 -6.189 2.590) 7.354 6.532 ( -0.696 0.384 2.964) 3.069 6.996 ( 5.855 -27.876 -3.731) 28.728 7.659 ( 4.412 -11.337 -3.221) 12.585 9.783 ( -6.806 -25.960 -2.249) 26.931 10.646 ( -19.461 7.817 -3.964) 21.344 11.267 ( 2.341 -3.732 -6.462) 7.821 13.743 ( 7.523 -16.550 -0.222) 18.180 14.215 ( -16.214 4.085 4.496) 17.314 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 4.666 3.874 0.347) 6.074 2.202 ( 1.101 0.932 -2.652) 3.019 2.560 ( 16.399 13.771 -2.118) 21.518 3.037 ( 8.169 0.580 -6.412) 10.401 4.011 ( 4.815 -0.813 5.669) 7.482 4.230 ( -6.808 1.565 3.572) 7.846 4.670 ( -4.264 5.307 7.472) 10.108 5.171 ( 4.026 -9.150 -0.451) 10.007 5.703 ( -0.468 -0.426 0.845) 1.056 6.096 ( -1.405 -7.511 1.975) 7.893 6.511 ( -0.107 -3.323 4.710) 5.766 6.897 ( 8.166 -13.355 -7.228) 17.242 7.632 ( -2.604 2.435 -1.456) 3.850 9.519 ( 6.773 -26.798 -2.406) 27.746 10.240 ( -30.574 2.127 -4.288) 30.946 11.347 ( 6.525 6.138 -2.894) 9.414 13.683 ( 3.740 -16.136 -1.735) 16.654 13.957 ( -16.484 -1.229 4.937) 17.252 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 3.918 2.231 0.855) 4.589 2.217 ( 0.156 1.704 -2.670) 3.171 2.954 ( 13.008 16.147 -2.697) 20.909 3.151 ( 5.954 1.810 -4.821) 7.871 4.007 ( -6.745 1.137 4.516) 8.197 4.202 ( 4.371 -6.368 1.891) 7.952 4.654 ( -4.746 2.035 6.947) 8.656 5.191 ( 6.307 -4.677 -1.968) 8.095 5.678 ( -1.943 -1.396 0.454) 2.435 6.017 ( -1.953 -1.827 2.047) 3.368 6.452 ( -1.580 -7.165 -2.261) 7.677 6.982 ( 6.213 4.466 -0.606) 7.675 7.633 ( -4.212 15.001 -0.072) 15.581 9.371 ( -8.485 -13.030 -2.162) 15.699 9.761 ( -6.712 -19.813 -2.747) 21.099 11.555 ( 6.583 13.695 -1.208) 15.243 13.492 ( -13.356 -4.863 -1.067) 14.254 13.751 ( 1.813 -16.558 2.901) 16.908 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -0.480 1.258 -0.439) 1.416 2.237 ( 1.945 1.779 -0.662) 2.718 3.226 ( 1.071 7.895 -3.564) 8.728 3.264 ( 4.575 11.842 -2.008) 12.852 3.907 ( -6.118 1.406 1.695) 6.502 4.210 ( 6.038 -11.903 1.902) 13.482 4.595 ( -5.568 0.219 4.020) 6.871 5.250 ( 4.802 -2.502 -2.874) 6.130 5.629 ( -2.141 -0.255 0.193) 2.164 6.023 ( 0.381 2.972 4.656) 5.537 6.337 ( -2.101 -5.306 -8.477) 10.219 7.059 ( -5.743 8.562 4.114) 11.100 7.851 ( 0.385 29.557 0.823) 29.571 8.943 ( -21.821 -1.472 -1.432) 21.918 9.673 ( 22.728 -37.228 -1.391) 43.639 11.770 ( 0.060 15.160 -0.086) 15.161 13.246 ( -9.850 1.019 0.382) 9.910 13.670 ( 8.911 -21.251 0.127) 23.044 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -2.531 0.474 -0.751) 2.682 2.280 ( 0.809 1.246 0.331) 1.522 3.250 ( -6.874 7.707 -2.411) 10.605 3.316 ( -6.430 3.428 -0.223) 7.290 3.888 ( 0.135 3.715 0.667) 3.776 4.200 ( 5.506 -9.516 0.096) 10.994 4.507 ( -5.059 -1.110 1.553) 5.407 5.265 ( 0.655 -1.620 -2.639) 3.165 5.622 ( 0.123 1.645 0.578) 1.748 6.083 ( -1.572 3.530 6.972) 7.971 6.240 ( 0.584 -3.381 -9.209) 9.827 7.058 ( -3.748 9.369 1.376) 10.184 7.894 ( -20.764 9.880 2.558) 23.137 8.968 ( 13.654 22.111 -0.541) 25.993 9.692 ( 23.154 -37.610 -0.661) 44.171 11.781 ( -11.893 7.466 0.327) 14.046 13.267 ( 5.549 10.314 1.250) 11.779 13.630 ( 10.459 -20.041 -1.434) 22.652 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -3.790 0.000 0.000) 3.790 2.287 ( -0.631 0.000 0.000) 0.631 3.032 ( -19.981 0.000 0.000) 19.981 3.270 ( -1.937 0.000 0.000) 1.937 3.910 ( -1.400 0.000 0.000) 1.400 4.233 ( 3.692 -0.000 -0.000) 3.692 4.424 ( -4.295 0.000 0.000) 4.295 5.248 ( -0.508 0.000 0.000) 0.508 5.636 ( -0.505 0.000 0.000) 0.505 6.058 ( -1.148 0.000 0.000) 1.148 6.271 ( 4.900 -0.000 -0.000) 4.900 7.137 ( 5.816 -0.000 -0.000) 5.816 7.615 ( -13.782 0.000 0.000) 13.782 9.432 ( 15.890 -0.000 -0.000) 15.890 9.832 ( 23.517 -0.000 -0.000) 23.517 11.587 ( -13.048 0.000 0.000) 13.048 13.549 ( 13.416 -0.000 -0.000) 13.416 13.644 ( 8.743 -0.000 -0.000) 8.743 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.000 10.110 -0.779) 10.140 1.828 ( 0.000 4.002 0.956) 4.115 2.155 ( 0.000 0.469 -1.141) 1.234 2.753 ( 0.000 0.297 -8.878) 8.883 3.751 ( -0.000 9.372 4.218) 10.278 4.536 ( -0.000 -3.652 7.842) 8.650 4.735 ( -0.000 10.601 2.949) 11.004 5.271 ( -0.000 -13.798 1.535) 13.884 5.714 ( -0.000 -6.051 -0.751) 6.097 6.075 ( -0.000 -3.219 3.966) 5.108 6.485 ( 0.000 11.277 -3.508) 11.810 6.868 ( -0.000 -42.515 4.113) 42.713 7.484 ( -0.000 -24.192 -4.151) 24.546 10.129 ( -0.000 -25.514 -3.528) 25.757 10.742 ( 0.000 2.540 0.566) 2.603 11.349 ( 0.000 0.939 -10.252) 10.295 13.601 ( -0.000 -11.693 0.130) 11.694 14.520 ( -0.000 6.069 3.955) 7.244 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 2.669 5.191 0.777) 5.889 1.977 ( 9.509 5.734 -1.536) 11.210 2.182 ( 3.216 1.843 -1.183) 3.891 2.757 ( 5.718 -2.832 -7.912) 10.164 3.859 ( 2.286 5.471 3.875) 7.083 4.466 ( -4.661 -6.131 7.709) 10.897 4.809 ( -2.102 7.074 2.025) 7.653 5.142 ( -2.198 -9.098 1.270) 9.446 5.644 ( 2.595 -10.340 -0.333) 10.665 6.077 ( 1.002 -1.861 3.052) 3.713 6.527 ( -0.098 -12.537 4.109) 13.194 6.612 ( 6.893 -14.123 -2.585) 15.927 7.325 ( 10.619 -20.466 -5.227) 23.642 9.733 ( -13.374 -23.410 -3.188) 27.149 10.854 ( 4.564 6.604 -0.067) 8.028 11.261 ( -8.119 1.529 -7.161) 10.933 13.519 ( 2.533 -11.100 -0.375) 11.392 14.503 ( -9.893 4.910 3.756) 11.666 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 3.132 3.130 0.193) 4.432 2.145 ( 5.821 -0.360 -1.739) 6.086 2.380 ( 15.171 9.604 -1.431) 18.013 2.843 ( 10.545 -3.326 -5.811) 12.491 3.950 ( 2.979 1.388 3.414) 4.739 4.350 ( -4.843 -4.816 6.465) 9.405 4.827 ( -3.496 5.010 3.111) 6.856 5.042 ( -0.483 -6.269 -0.292) 6.295 5.617 ( 6.014 -9.871 -1.480) 11.653 6.065 ( -0.976 -2.423 2.220) 3.428 6.484 ( 0.637 -4.793 3.201) 5.799 6.593 ( 9.681 -10.899 0.959) 14.609 7.413 ( 18.585 -11.583 -6.869) 22.951 9.295 ( -10.430 -20.721 -1.868) 23.273 10.802 ( -24.623 9.152 -2.849) 26.423 11.230 ( 9.253 2.015 -2.428) 9.776 13.448 ( 2.760 -12.731 -0.481) 13.035 14.314 ( -18.240 3.119 3.068) 18.757 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 4.330 1.416 0.210) 4.561 2.203 ( 2.210 0.528 -1.690) 2.832 2.775 ( 19.249 9.428 -1.599) 21.493 2.999 ( 12.065 -1.124 -3.655) 12.657 4.003 ( 2.121 -1.949 2.895) 4.083 4.248 ( -5.981 -1.998 3.398) 7.164 4.799 ( -6.699 3.652 4.847) 9.039 5.031 ( 6.003 -4.145 -1.909) 7.540 5.626 ( 4.720 -6.528 -1.660) 8.225 6.041 ( -1.305 1.238 2.087) 2.755 6.368 ( -1.581 -11.015 -3.006) 11.527 6.850 ( 15.873 8.118 6.039) 18.823 7.613 ( 15.843 -3.133 -5.582) 17.087 9.003 ( 1.190 -21.472 -0.892) 21.524 10.304 ( -38.830 4.608 -2.211) 39.165 11.482 ( 13.584 7.633 -0.957) 15.611 13.364 ( 2.904 -13.484 -0.518) 13.803 13.989 ( -22.817 0.866 2.095) 22.929 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 4.407 0.897 0.691) 4.550 2.222 ( 0.328 0.328 -1.498) 1.568 3.127 ( 13.009 2.105 -1.222) 13.235 3.214 ( 12.928 6.414 -1.816) 14.546 4.005 ( 0.234 -2.392 1.729) 2.961 4.117 ( -7.703 -2.455 0.988) 8.145 4.719 ( -6.700 0.981 2.782) 7.320 5.121 ( 7.245 -1.438 -1.204) 7.484 5.631 ( 1.159 -1.930 -0.515) 2.310 6.069 ( 0.075 4.771 3.885) 6.153 6.243 ( 0.437 -9.143 -5.762) 10.816 7.150 ( 4.764 6.431 3.408) 8.699 7.928 ( 18.789 14.300 -1.381) 23.652 8.905 ( 12.256 -22.636 -0.924) 25.757 9.628 ( -41.241 -0.015 -0.847) 41.250 11.784 ( 11.681 7.992 -0.265) 14.156 13.299 ( 3.387 -8.843 -0.508) 9.483 13.615 ( -19.982 -1.894 1.065) 20.100 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -1.358 0.000 0.000) 1.358 2.252 ( 3.192 -0.000 -0.000) 3.192 3.271 ( 4.201 -0.000 -0.000) 4.201 3.420 ( 3.331 -0.000 -0.000) 3.331 3.956 ( -6.573 0.000 0.000) 6.573 4.042 ( 4.945 -0.000 -0.000) 4.945 4.613 ( -6.798 0.000 0.000) 6.798 5.212 ( 4.343 -0.000 -0.000) 4.343 5.628 ( -0.169 0.000 0.000) 0.169 6.144 ( 1.635 -0.000 -0.000) 1.635 6.170 ( -0.206 0.000 0.000) 0.206 7.168 ( -4.132 0.000 0.000) 4.132 8.274 ( -3.162 0.000 0.000) 3.162 9.032 ( 20.568 -0.000 -0.000) 20.568 9.070 ( -14.159 0.000 0.000) 14.159 11.941 ( -0.158 0.000 0.000) 0.158 13.345 ( -7.854 0.000 0.000) 7.854 13.350 ( 7.388 -0.000 -0.000) 7.388 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 0.000 2.248 0.410) 2.285 1.999 ( 0.000 8.123 -0.763) 8.159 2.146 ( 0.000 -0.487 -0.955) 1.072 2.642 ( 0.000 -5.025 -6.796) 8.452 3.900 ( -0.000 3.801 3.033) 4.863 4.442 ( -0.000 -10.489 6.335) 12.253 4.840 ( 0.000 -1.775 -1.199) 2.142 5.148 ( -0.000 1.367 2.287) 2.664 5.440 ( -0.000 -21.709 -1.043) 21.734 6.091 ( -0.000 2.513 4.622) 5.261 6.318 ( -0.000 -16.247 11.470) 19.888 6.565 ( 0.000 2.059 -10.517) 10.717 6.986 ( -0.000 -23.095 -4.732) 23.574 9.636 ( -0.000 -20.429 -3.795) 20.779 10.834 ( 0.000 5.337 0.915) 5.414 11.369 ( 0.000 4.650 -4.974) 6.809 13.417 ( -0.000 -6.859 -0.799) 6.905 14.645 ( -0.000 4.029 3.300) 5.208 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 5.885 1.496 1.145) 6.180 2.040 ( 0.846 1.702 -1.970) 2.738 2.250 ( 9.992 5.543 -0.336) 11.431 2.625 ( 6.516 -5.611 -4.753) 9.825 3.947 ( 1.063 2.072 2.245) 3.234 4.343 ( -1.155 -9.245 4.557) 10.371 4.820 ( 1.952 -2.982 -0.939) 3.686 5.128 ( -6.257 3.317 1.734) 7.291 5.314 ( 9.881 -18.425 -2.351) 21.039 6.112 ( -2.794 3.200 4.772) 6.390 6.360 ( 9.876 -1.228 12.891) 16.286 6.478 ( -4.009 -6.786 -7.426) 10.829 6.919 ( 16.848 -16.090 -8.797) 24.903 9.341 ( -11.953 -13.696 -2.242) 18.316 10.981 ( 9.366 5.324 0.474) 10.783 11.283 ( -12.936 3.019 -3.177) 13.658 13.349 ( -0.997 -5.793 -0.663) 5.915 14.598 ( -10.408 2.626 2.362) 10.991 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 2.232 0.756 0.075) 2.358 2.129 ( 6.405 -0.248 -0.695) 6.447 2.547 ( 16.533 7.672 -0.289) 18.228 2.724 ( 13.202 -5.552 -2.313) 14.507 3.984 ( 0.845 0.699 1.186) 1.615 4.278 ( -0.515 -4.089 2.482) 4.811 4.864 ( 5.138 -0.309 0.728) 5.199 5.018 ( -9.157 1.104 0.152) 9.225 5.381 ( 13.225 -8.444 -2.033) 15.822 6.118 ( -2.864 5.568 3.474) 7.160 6.300 ( -3.694 -9.857 -3.925) 11.234 6.677 ( 16.959 8.487 10.159) 21.513 7.109 ( 24.950 -12.501 -9.097) 29.352 9.009 ( -13.634 -7.311 -0.535) 15.479 10.920 ( -28.452 3.667 -1.060) 28.707 11.270 ( 15.467 1.958 -0.435) 15.597 13.268 ( -1.822 -4.931 -0.304) 5.266 14.369 ( -19.168 1.091 1.155) 19.234 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 4.486 -0.000 -0.000) 4.486 2.201 ( 2.483 -0.000 -0.000) 2.483 2.886 ( 16.657 -0.000 -0.000) 16.657 2.954 ( 17.995 -0.000 -0.000) 17.995 3.993 ( -0.179 0.000 0.000) 0.179 4.230 ( -4.458 0.000 0.000) 4.458 4.860 ( -8.906 0.000 0.000) 8.906 4.982 ( 7.683 -0.000 -0.000) 7.683 5.534 ( 8.692 -0.000 -0.000) 8.692 6.149 ( -1.493 0.000 0.000) 1.493 6.158 ( -1.963 0.000 0.000) 1.963 7.034 ( 14.303 -0.000 -0.000) 14.303 7.502 ( 31.064 -0.000 -0.000) 31.064 8.779 ( -7.297 0.000 0.000) 7.297 10.346 ( -40.255 0.000 0.000) 40.255 11.566 ( 16.955 -0.000 -0.000) 16.955 13.219 ( 0.088 -0.000 -0.000) 0.088 14.005 ( -23.982 0.000 0.000) 23.982 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 0.000 0.720 0.110) 0.728 2.124 ( 0.000 4.249 -0.077) 4.249 2.132 ( 0.000 -0.355 -0.378) 0.519 2.513 ( 0.000 -3.676 -2.665) 4.540 3.962 ( -0.000 1.474 1.329) 1.985 4.277 ( -0.000 -6.826 1.835) 7.069 4.772 ( 0.000 -2.148 -1.058) 2.395 5.046 ( -0.000 -12.529 -0.919) 12.563 5.222 ( -0.000 2.376 1.046) 2.596 6.244 ( -0.000 9.745 5.455) 11.168 6.287 ( -0.000 -0.277 14.716) 14.718 6.466 ( 0.000 -2.286 -13.834) 14.021 6.554 ( 0.000 -17.254 -5.343) 18.063 9.340 ( -0.000 -7.388 -1.515) 7.541 10.923 ( 0.000 2.538 0.439) 2.576 11.421 ( 0.000 2.144 -1.450) 2.588 13.325 ( -0.000 -2.209 -0.449) 2.254 14.714 ( -0.000 1.394 1.284) 1.895 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 7.465 -0.000 -0.000) 7.465 2.045 ( -2.509 0.000 0.000) 2.509 2.330 ( 14.016 -0.000 -0.000) 14.016 2.529 ( 5.136 -0.000 -0.000) 5.136 3.979 ( 0.680 -0.000 -0.000) 0.680 4.249 ( 0.626 -0.000 -0.000) 0.626 4.786 ( 3.165 -0.000 -0.000) 3.165 5.095 ( 11.964 -0.000 -0.000) 11.964 5.174 ( -6.639 0.000 0.000) 6.639 6.252 ( -3.729 0.000 0.000) 3.729 6.282 ( -6.006 0.000 0.000) 6.006 6.502 ( 12.626 -0.000 -0.000) 12.626 6.642 ( 17.486 -0.000 -0.000) 17.486 9.198 ( -11.236 0.000 0.000) 11.236 11.038 ( 11.286 -0.000 -0.000) 11.286 11.305 ( -14.662 0.000 0.000) 14.662 13.290 ( -2.541 0.000 0.000) 2.541 14.632 ( -10.589 0.000 0.000) 10.589 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.201 ( -0.000 0.000 19.963) 19.963 0.201 ( -0.000 0.000 19.963) 19.963 0.350 ( -0.000 0.000 35.046) 35.046 1.990 ( 0.000 -0.000 -0.291) 0.291 1.990 ( 0.000 -0.000 -0.291) 0.291 4.166 ( -0.000 0.000 0.808) 0.808 4.542 ( -0.000 0.000 1.657) 1.657 4.542 ( -0.000 0.000 1.657) 1.657 5.297 ( -0.000 -0.000 -1.462) 1.462 5.297 ( 0.000 -0.000 -1.462) 1.462 6.927 ( 0.000 -0.000 -0.823) 0.823 8.698 ( -0.000 0.000 1.820) 1.820 9.936 ( -0.000 0.000 0.873) 0.873 9.936 ( -0.000 0.000 0.873) 0.873 11.396 ( 0.000 -0.000 -0.859) 0.859 11.396 ( 0.000 -0.000 -0.859) 0.859 13.267 ( 0.000 -0.000 -0.882) 0.882 16.215 ( -0.000 0.000 0.081) 0.081 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 12.187 7.036 17.615) 22.546 0.623 ( 23.545 13.594 4.027) 27.484 1.009 ( 35.800 20.669 12.737) 43.256 2.007 ( 1.532 0.885 -0.413) 1.817 2.193 ( 16.769 9.681 0.253) 19.365 4.178 ( 0.778 0.449 0.852) 1.238 4.295 ( -9.663 -5.579 3.847) 11.802 4.603 ( 6.962 4.019 -1.319) 8.146 5.365 ( 9.101 5.255 -9.210) 13.974 5.462 ( 12.142 7.010 2.113) 14.179 6.831 ( -10.966 -6.331 6.237) 14.116 8.577 ( -2.358 -1.361 -6.019) 6.606 9.772 ( -14.611 -8.436 0.943) 16.898 11.317 ( -6.258 -3.613 -1.730) 7.431 11.331 ( -5.522 -3.188 -0.825) 6.429 12.156 ( 46.010 26.564 -98.021) 111.493 13.376 ( 12.936 7.468 -9.242) 17.565 15.394 ( -33.995 -19.627 53.229) 66.138 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 16.505 9.529 8.633) 20.922 1.111 ( 18.388 10.616 1.188) 21.265 1.822 ( 32.646 18.848 8.443) 38.630 2.050 ( 2.262 1.306 -0.568) 2.673 2.669 ( 23.748 13.711 1.415) 27.458 4.120 ( -6.037 -3.486 -1.558) 7.143 4.212 ( 1.936 1.118 -0.533) 2.298 4.837 ( 14.285 8.247 -3.929) 16.956 5.532 ( 6.966 4.022 -14.801) 16.845 5.819 ( 17.522 10.117 4.925) 20.824 6.577 ( -12.223 -7.057 13.531) 19.553 8.455 ( -7.251 -4.186 -8.862) 12.192 9.298 ( -27.472 -15.861 1.040) 31.739 11.108 ( -11.372 -6.566 -2.073) 13.294 11.155 ( -9.466 -5.465 -0.772) 10.958 12.231 ( -4.717 -2.723 -39.431) 39.805 13.622 ( 8.635 4.986 -12.992) 16.377 15.034 ( -14.120 -8.152 33.618) 37.363 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 16.893 9.753 3.922) 19.897 1.451 ( 11.921 6.883 0.643) 13.780 2.098 ( 2.136 1.233 -0.793) 2.591 2.502 ( 25.294 14.604 5.572) 29.734 3.205 ( 21.693 12.524 2.849) 25.210 4.009 ( -2.811 -1.623 -3.360) 4.672 4.273 ( 3.953 2.282 -1.122) 4.700 5.187 ( 17.281 9.977 -5.615) 20.729 5.526 ( -2.634 -1.521 -12.133) 12.508 6.228 ( 15.986 9.229 6.514) 19.574 6.438 ( -5.089 -2.938 16.875) 17.869 8.169 ( -15.491 -8.944 -10.879) 20.936 8.570 ( -36.978 -21.350 1.146) 42.714 10.807 ( -14.455 -8.346 -3.630) 17.082 10.929 ( -9.680 -5.589 -0.689) 11.199 11.928 ( -11.180 -6.455 -21.041) 24.685 13.653 ( -2.391 -1.380 -5.700) 6.334 14.912 ( -5.469 -3.157 19.377) 20.380 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 15.844 9.147 1.457) 18.353 1.668 ( 7.575 4.374 0.645) 8.771 2.135 ( 1.345 0.777 -1.052) 1.876 2.976 ( 15.312 8.840 2.122) 17.808 3.534 ( 4.173 2.409 1.543) 5.060 4.062 ( 10.932 6.312 -0.562) 12.636 4.382 ( 5.629 3.250 -0.335) 6.508 5.425 ( -2.720 -1.571 -1.498) 3.480 5.521 ( 12.623 7.288 -4.993) 15.407 6.384 ( -5.689 -3.285 14.193) 15.640 6.538 ( 9.225 5.326 5.157) 11.835 7.689 ( -40.424 -23.339 1.703) 46.709 7.692 ( -23.099 -13.336 -13.107) 29.719 10.434 ( -17.526 -10.119 -5.202) 20.896 10.752 ( -5.248 -3.030 -0.468) 6.078 11.653 ( -7.503 -4.332 -12.335) 15.073 13.525 ( -6.802 -3.927 -2.276) 8.177 14.884 ( -2.096 -1.210 11.479) 11.732 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 5.235 3.023 0.718) 6.088 2.011 ( 14.505 8.374 0.265) 16.751 2.148 ( 0.133 0.077 -1.222) 1.232 3.155 ( -0.432 -0.250 -2.928) 2.970 3.561 ( 2.950 1.703 1.776) 3.841 4.387 ( 13.020 7.517 3.962) 15.548 4.505 ( 5.706 3.294 0.506) 6.608 5.425 ( 1.885 1.088 6.658) 7.005 5.659 ( -0.191 -0.110 -1.379) 1.397 6.255 ( -9.320 -5.381 10.958) 15.359 6.542 ( -19.938 -11.511 -2.080) 23.117 6.975 ( -11.360 -6.559 4.791) 13.965 7.078 ( -26.311 -15.191 -15.178) 33.961 10.002 ( -18.610 -10.744 -5.148) 22.097 10.702 ( 0.697 0.402 0.030) 0.805 11.519 ( -1.906 -1.100 -7.582) 7.895 13.369 ( -5.936 -3.427 -1.515) 7.019 14.879 ( -1.283 -0.741 7.003) 7.158 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 3.591 2.074 0.600) 4.190 2.135 ( -0.862 -0.498 -1.106) 1.488 2.320 ( 13.042 7.530 -0.338) 15.064 3.015 ( -8.401 -4.850 -4.669) 10.765 3.692 ( 6.475 3.739 1.615) 7.649 4.513 ( -0.263 -0.152 4.348) 4.359 4.715 ( 9.338 5.391 1.620) 10.903 5.517 ( -10.662 -6.156 -1.739) 12.434 5.527 ( 3.699 2.136 9.844) 10.731 5.904 ( -26.267 -15.165 3.295) 30.509 6.068 ( -8.930 -5.156 6.409) 12.141 6.469 ( -21.812 -12.593 -14.551) 29.088 7.025 ( 6.037 3.485 -1.154) 7.066 9.608 ( -14.098 -8.140 -3.676) 16.689 10.756 ( 3.189 1.841 0.621) 3.734 11.492 ( 0.730 0.421 -4.434) 4.513 13.262 ( -3.086 -1.782 -1.009) 3.704 14.869 ( -1.200 -0.693 3.669) 3.921 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 1.241 0.717 -0.025) 1.434 2.114 ( -0.374 -0.216 -0.380) 0.575 2.592 ( 11.214 6.475 -1.169) 13.002 2.794 ( -9.492 -5.480 -5.051) 12.069 3.816 ( 3.416 1.972 0.726) 4.011 4.484 ( -2.615 -1.510 2.594) 3.981 4.859 ( 2.916 1.684 1.865) 3.849 5.280 ( -5.373 -3.102 -7.777) 9.948 5.514 ( -10.890 -6.287 10.562) 16.422 5.565 ( -3.715 -2.145 -2.245) 4.841 5.949 ( -3.149 -1.818 2.165) 4.232 6.114 ( -3.779 -2.182 0.008) 4.363 7.128 ( 3.118 1.800 -3.435) 4.976 9.383 ( -4.610 -2.661 -1.643) 5.570 10.817 ( 1.498 0.865 0.972) 1.984 11.505 ( 1.130 0.653 -1.812) 2.233 13.222 ( -0.478 -0.276 0.042) 0.553 14.849 ( -1.267 -0.732 0.577) 1.573 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -1.687 -0.974 -0.758) 2.090 2.125 ( 1.111 0.641 0.570) 1.403 2.543 ( -10.540 -6.085 -5.903) 13.527 2.832 ( 9.851 5.688 -1.423) 11.464 3.816 ( -3.755 -2.168 0.693) 4.391 4.450 ( -0.269 -0.155 -0.895) 0.947 4.866 ( -2.864 -1.654 2.364) 4.066 5.322 ( 10.326 5.962 -8.120) 14.426 5.411 ( -4.990 -2.881 -13.681) 14.845 5.467 ( 4.822 2.784 10.335) 11.740 5.904 ( 0.400 0.231 -0.046) 0.465 6.301 ( 14.295 8.253 12.940) 20.974 7.124 ( -2.527 -1.459 -3.771) 4.768 9.405 ( 6.749 3.896 0.482) 7.808 10.818 ( -1.728 -0.998 1.026) 2.244 11.525 ( 0.875 0.505 0.080) 1.013 13.237 ( 1.558 0.899 1.487) 2.334 14.816 ( -1.373 -0.793 -2.551) 3.004 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -3.510 -2.026 -0.598) 4.096 2.154 ( 1.044 0.603 0.751) 1.421 2.273 ( -11.889 -6.864 -5.062) 14.631 3.032 ( 8.220 4.746 -2.976) 9.948 3.687 ( -6.895 -3.981 1.396) 8.083 4.444 ( -0.686 -0.396 -2.587) 2.706 4.745 ( -8.650 -4.994 4.080) 10.789 5.298 ( -0.950 -0.549 -11.528) 11.580 5.528 ( 9.072 5.238 -0.869) 10.512 5.898 ( 29.104 16.803 2.984) 33.738 5.970 ( 5.225 3.017 -2.609) 6.573 6.763 ( 22.142 12.784 13.209) 28.778 6.992 ( -7.744 -4.471 -4.336) 9.938 9.674 ( 16.094 9.292 2.575) 18.761 10.759 ( -3.252 -1.878 0.911) 3.864 11.548 ( 1.290 0.745 0.844) 1.712 13.303 ( 3.777 2.180 2.984) 5.284 14.769 ( -1.545 -0.892 -5.855) 6.121 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -4.985 -2.878 0.014) 5.757 1.973 ( -13.549 -7.822 -3.522) 16.036 2.167 ( -0.174 -0.100 0.604) 0.636 3.116 ( -1.872 -1.081 -6.168) 6.536 3.572 ( -2.863 -1.653 2.734) 4.290 4.354 ( -7.936 -4.582 0.567) 9.181 4.551 ( -8.220 -4.746 4.529) 10.516 5.307 ( 4.498 2.597 -4.539) 6.898 5.689 ( 3.493 2.017 1.495) 4.302 6.089 ( 5.778 3.336 -5.552) 8.680 6.578 ( 12.520 7.229 1.190) 14.506 6.869 ( 15.321 8.846 -5.141) 18.423 7.341 ( 24.696 14.258 10.672) 30.448 10.101 ( 19.733 11.393 4.348) 23.197 10.709 ( -0.665 -0.384 0.685) 1.029 11.611 ( 4.831 2.789 0.888) 5.648 13.430 ( 6.386 3.687 4.592) 8.687 14.706 ( -1.950 -1.126 -9.599) 9.860 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -15.627 -9.022 -1.585) 18.114 1.670 ( -7.309 -4.220 0.861) 8.484 2.150 ( -1.464 -0.845 0.369) 1.730 2.877 ( -16.324 -9.425 -6.420) 19.913 3.497 ( -7.899 -4.560 -2.101) 9.360 4.165 ( -6.895 -3.981 8.720) 11.808 4.418 ( -5.421 -3.130 3.104) 6.987 5.488 ( 11.655 6.729 4.480) 14.184 5.635 ( -9.793 -5.654 6.131) 12.863 6.158 ( 1.828 1.055 -8.224) 8.490 6.389 ( -12.469 -7.199 -9.132) 17.050 7.682 ( 41.043 23.696 0.953) 47.402 7.897 ( 21.325 12.312 7.305) 25.685 10.532 ( 16.444 9.494 4.103) 19.426 10.759 ( 5.196 3.000 0.260) 6.006 11.811 ( 13.181 7.610 1.688) 15.314 13.620 ( 8.621 4.977 7.752) 12.617 14.613 ( -2.930 -1.692 -14.571) 14.958 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -17.796 -10.274 0.941) 20.570 1.466 ( -11.744 -6.780 1.981) 13.705 2.108 ( -2.245 -1.296 0.158) 2.597 2.376 ( -26.162 -15.105 -5.699) 30.742 3.152 ( -20.305 -11.723 -2.501) 23.579 4.137 ( 0.405 0.234 7.663) 7.678 4.322 ( -4.068 -2.349 4.302) 6.370 5.329 ( -18.008 -10.397 8.517) 22.470 5.814 ( 10.356 5.979 16.304) 20.219 6.050 ( -14.695 -8.484 -10.896) 20.165 6.127 ( 1.805 1.042 -14.315) 14.466 8.316 ( 13.967 8.064 3.576) 16.520 8.570 ( 36.661 21.166 1.152) 42.348 10.860 ( 12.472 7.201 1.209) 14.453 10.933 ( 9.647 5.570 -0.275) 11.143 12.201 ( 19.848 11.459 2.002) 23.005 13.865 ( 9.588 5.535 16.715) 20.049 14.466 ( -4.864 -2.808 -22.960) 23.637 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -19.004 -10.972 5.189) 22.549 1.138 ( -18.555 -10.713 3.707) 21.744 1.683 ( -33.592 -19.395 -4.279) 39.024 2.055 ( -2.336 -1.348 -0.006) 2.697 2.649 ( -22.653 -13.079 -0.692) 26.166 4.176 ( 0.665 0.384 1.848) 2.001 4.280 ( -0.579 -0.334 6.743) 6.776 4.951 ( -16.787 -9.692 7.422) 20.756 5.679 ( -14.525 -8.386 -8.862) 18.970 5.767 ( -12.679 -7.320 5.274) 15.561 6.401 ( 19.230 11.102 -0.747) 22.217 8.545 ( 6.151 3.552 -0.371) 7.113 9.298 ( 27.136 15.667 1.003) 31.350 11.118 ( 10.553 6.093 -1.398) 12.266 11.156 ( 9.579 5.531 -0.664) 11.081 12.648 ( 19.070 11.010 -7.397) 23.229 14.102 ( -2.944 -1.700 1.689) 3.796 14.289 ( 4.328 2.499 -1.599) 5.248 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -0.000 15.714 18.076) 23.951 0.748 ( -0.000 25.891 10.089) 27.787 0.916 ( -0.000 36.411 10.485) 37.891 2.006 ( 0.000 1.838 -0.470) 1.897 2.193 ( 0.000 19.095 0.159) 19.096 4.179 ( -0.000 0.645 0.755) 0.993 4.387 ( -0.000 -4.027 4.156) 5.787 4.718 ( -0.000 13.428 6.228) 14.802 5.327 ( 0.000 7.620 -6.560) 10.055 5.448 ( 0.000 14.515 -3.143) 14.852 6.843 ( -0.000 -13.006 6.203) 14.409 8.559 ( 0.000 -2.861 -6.509) 7.110 9.784 ( -0.000 -16.389 1.673) 16.474 11.251 ( 0.000 -3.345 -11.225) 11.713 11.319 ( -0.000 -6.705 -1.541) 6.880 11.930 ( 0.000 62.911 -78.300) 100.442 13.360 ( 0.000 13.843 -6.447) 15.270 15.483 ( -0.000 -46.142 42.230) 62.549 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 4.373 15.261 13.905) 21.104 1.080 ( 7.366 23.268 3.724) 24.688 1.561 ( 25.207 27.552 7.258) 38.042 2.041 ( 1.470 2.723 -0.580) 3.149 2.522 ( 13.488 21.748 0.984) 25.610 4.195 ( 0.739 0.774 0.450) 1.161 4.257 ( -11.292 -0.369 4.561) 12.185 4.877 ( -0.009 21.048 1.604) 21.109 5.450 ( 5.341 10.271 -12.245) 16.852 5.686 ( 11.564 13.127 -0.748) 17.510 6.663 ( -5.999 -15.650 12.073) 20.656 8.479 ( -3.485 -3.523 -9.292) 10.531 9.476 ( -14.140 -22.683 1.785) 26.789 11.138 ( -3.269 -11.572 -4.702) 12.911 11.181 ( -5.741 -9.573 -1.454) 11.257 12.143 ( 1.128 11.033 -46.035) 47.352 13.561 ( 6.072 17.029 -12.226) 21.825 15.141 ( -6.685 -30.227 33.604) 45.690 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 11.314 13.848 6.925) 19.176 1.413 ( 7.309 16.650 1.763) 18.269 2.079 ( 2.886 2.987 -0.562) 4.191 2.257 ( 23.741 19.280 3.941) 30.836 3.016 ( 19.100 19.364 2.324) 27.298 4.094 ( -9.057 1.133 2.202) 9.390 4.231 ( 2.128 1.436 0.376) 2.594 5.138 ( 5.525 21.750 -2.473) 22.577 5.530 ( -0.810 5.522 -14.014) 15.084 6.053 ( 16.932 9.663 2.324) 19.633 6.500 ( -2.862 -10.451 17.477) 20.564 8.281 ( -10.706 -6.875 -10.898) 16.753 8.899 ( -26.606 -25.497 1.847) 36.897 10.877 ( -10.213 -14.735 -3.408) 18.250 10.975 ( -5.542 -10.651 -1.517) 12.102 11.965 ( -8.524 -4.510 -25.590) 27.347 13.705 ( -1.491 9.414 -7.888) 12.372 14.925 ( -1.169 -19.787 21.557) 29.284 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 13.094 11.991 2.445) 17.922 1.658 ( 4.598 12.961 1.155) 13.801 2.129 ( 1.034 2.457 -1.173) 2.912 2.787 ( 18.910 11.549 0.768) 22.171 3.483 ( 12.592 13.339 3.089) 18.602 4.010 ( -1.181 2.921 1.036) 3.317 4.310 ( 4.861 2.308 1.325) 5.542 5.398 ( 3.644 7.213 -3.541) 8.823 5.516 ( 0.523 11.146 -5.720) 12.539 6.389 ( 10.617 1.348 4.070) 11.450 6.462 ( 1.375 -3.759 15.336) 15.850 7.904 ( -19.496 -10.034 -12.740) 25.359 8.132 ( -35.678 -23.299 2.044) 42.661 10.508 ( -13.025 -17.794 -3.816) 22.379 10.806 ( -3.168 -6.375 -1.335) 7.243 11.676 ( -8.798 -7.791 -16.019) 19.868 13.650 ( -9.187 3.277 -2.729) 10.128 14.840 ( 3.182 -14.114 12.433) 19.077 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 4.714 7.906 1.119) 9.272 1.894 ( 10.261 13.795 -0.263) 17.194 2.156 ( 0.070 2.087 -1.479) 2.559 3.098 ( 8.556 3.986 -3.407) 10.035 3.613 ( -4.139 5.481 2.218) 7.217 4.221 ( 15.538 7.428 3.839) 17.645 4.433 ( 5.589 1.764 3.222) 6.688 5.426 ( 1.127 1.016 3.634) 3.938 5.672 ( 1.620 7.005 -2.474) 7.603 6.350 ( -5.752 -7.608 10.343) 14.069 6.598 ( 3.548 -1.946 2.798) 4.920 7.323 ( -36.337 -14.164 3.040) 39.118 7.374 ( -25.299 -8.855 -14.581) 30.513 10.081 ( -13.807 -19.855 -4.022) 24.516 10.752 ( -0.228 1.831 -0.897) 2.051 11.453 ( -2.198 -8.911 -10.500) 13.946 13.485 ( -10.576 0.349 -0.916) 10.621 14.815 ( 4.423 -11.738 7.268) 14.498 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 1.358 7.123 1.018) 7.322 2.131 ( 1.671 1.712 -1.997) 3.117 2.234 ( 8.293 12.412 -1.197) 14.975 3.110 ( -6.031 -0.028 -6.179) 8.635 3.655 ( 2.619 5.258 3.079) 6.632 4.509 ( 2.650 1.050 6.536) 7.130 4.566 ( 13.251 2.346 2.509) 13.689 5.506 ( 3.811 0.984 6.780) 7.840 5.618 ( -7.549 -5.011 0.082) 9.061 6.168 ( -10.277 -6.267 5.488) 13.229 6.367 ( -26.807 -3.173 1.775) 27.052 6.707 ( -25.862 -10.069 -7.649) 28.787 7.026 ( -3.856 4.901 -4.858) 7.905 9.659 ( -11.295 -19.033 -3.382) 22.389 10.811 ( 0.309 8.986 -0.018) 8.992 11.360 ( 5.160 -10.319 -6.632) 13.308 13.323 ( -7.260 -1.221 -0.518) 7.380 14.799 ( 4.325 -10.960 4.033) 12.453 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -0.411 5.653 0.502) 5.690 2.126 ( -0.844 0.644 -1.295) 1.675 2.512 ( 8.945 12.928 -2.242) 15.880 2.932 ( -11.443 0.256 -6.214) 13.024 3.777 ( 4.455 3.599 1.798) 6.003 4.505 ( -2.432 -3.465 4.929) 6.498 4.777 ( 8.259 -0.769 3.065) 8.843 5.380 ( -8.420 -3.161 -4.747) 10.170 5.592 ( -1.727 -1.003 1.644) 2.587 5.903 ( -27.344 9.644 7.364) 29.915 6.000 ( -5.554 -4.110 2.971) 7.521 6.243 ( -15.779 -3.203 -3.836) 16.552 7.091 ( 3.436 5.138 -4.865) 7.866 9.347 ( -3.884 -15.209 -2.085) 15.835 10.905 ( -2.281 11.833 0.806) 12.077 11.359 ( 8.567 -11.373 -3.437) 14.648 13.224 ( -2.265 -2.192 0.031) 3.152 14.772 ( 4.004 -10.732 1.316) 11.530 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -2.873 3.592 -0.582) 4.636 2.129 ( 0.069 1.925 -0.049) 1.927 2.699 ( -12.178 2.262 -7.177) 14.315 2.767 ( 6.078 10.264 -2.088) 12.110 3.846 ( -0.329 0.410 1.127) 1.244 4.429 ( -1.698 -4.458 1.146) 4.906 4.849 ( 2.342 -4.288 2.783) 5.623 5.319 ( 0.411 9.144 -6.405) 11.171 5.439 ( -7.510 -2.478 -12.829) 15.070 5.668 ( -15.205 13.939 9.499) 22.710 5.942 ( -4.107 0.605 3.269) 5.284 6.209 ( 8.284 5.746 8.116) 12.942 7.154 ( -0.368 4.618 -4.176) 6.237 9.245 ( 7.144 -9.750 -0.632) 12.104 10.949 ( -6.345 10.941 1.222) 12.706 11.388 ( 8.798 -11.727 -1.061) 14.698 13.205 ( 1.951 -1.617 1.070) 2.750 14.733 ( 3.695 -10.667 -1.358) 11.370 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -4.720 2.632 -0.696) 5.449 2.155 ( 0.300 2.069 0.232) 2.104 2.453 ( -14.870 1.043 -5.834) 16.008 2.971 ( 6.021 9.966 -3.709) 12.220 3.774 ( -6.297 -2.520 1.664) 6.984 4.396 ( 1.865 -3.350 -2.295) 4.468 4.797 ( -3.108 -7.532 3.853) 9.013 5.282 ( -2.878 -0.740 -13.072) 13.406 5.467 ( 5.260 7.965 -0.812) 9.579 5.808 ( 7.787 25.449 3.209) 26.807 5.946 ( 0.852 4.976 1.139) 5.175 6.527 ( 17.274 4.763 8.037) 19.638 7.144 ( -5.964 8.217 -0.960) 10.198 9.394 ( 18.295 -4.333 0.763) 18.817 10.912 ( -9.112 8.160 1.249) 12.296 11.418 ( 8.294 -10.972 -0.045) 13.754 13.264 ( 4.441 1.337 2.442) 5.242 14.680 ( 3.363 -10.654 -4.132) 11.912 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -6.365 2.126 -0.180) 6.713 2.138 ( -9.029 -0.484 -3.110) 9.562 2.215 ( -7.826 2.315 -1.040) 8.228 3.109 ( 1.674 5.117 -5.945) 8.021 3.654 ( -5.829 -0.209 3.406) 6.754 4.369 ( -0.566 -4.966 -2.039) 5.398 4.630 ( -7.397 -9.914 5.489) 13.533 5.247 ( 2.398 1.877 -7.692) 8.272 5.635 ( 6.988 4.105 0.654) 8.131 6.044 ( 3.782 6.396 -1.943) 7.680 6.360 ( 22.275 22.397 1.778) 31.638 6.777 ( 6.830 -1.142 -2.563) 7.384 7.258 ( 7.217 19.878 7.832) 22.551 9.753 ( 25.411 -0.790 2.201) 25.518 10.829 ( -7.828 4.747 1.008) 9.210 11.471 ( 9.267 -7.027 -0.425) 11.638 13.396 ( 5.708 5.875 4.112) 9.166 14.610 ( 2.851 -10.731 -7.140) 13.201 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -9.518 -1.411 -0.360) 9.628 1.867 ( -16.555 1.131 -1.680) 16.678 2.184 ( -2.151 1.237 0.210) 2.490 3.023 ( -10.636 -3.449 -6.384) 12.876 3.601 ( -5.707 2.750 0.786) 6.383 4.249 ( -5.950 -7.240 5.179) 10.708 4.446 ( -4.473 -8.714 3.717) 10.476 5.362 ( 9.537 4.420 -0.116) 10.513 5.731 ( -0.218 0.378 1.176) 1.254 6.138 ( 0.826 4.981 -3.563) 6.180 6.483 ( -8.324 -7.435 -4.225) 11.934 7.274 ( 33.599 25.548 -0.125) 42.209 7.708 ( 18.695 14.865 6.981) 24.884 10.200 ( 25.578 0.133 2.938) 25.747 10.776 ( -1.537 1.170 0.391) 1.971 11.625 ( 13.844 0.851 -1.381) 13.939 13.597 ( 6.615 10.336 6.877) 14.067 14.516 ( 1.779 -11.022 -10.694) 15.460 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -18.314 -5.192 -0.293) 19.038 1.666 ( -12.994 1.965 1.554) 13.234 2.148 ( -3.012 0.243 -0.070) 3.023 2.671 ( -22.361 -6.687 -4.427) 23.755 3.401 ( -18.085 -3.064 -2.473) 18.509 4.154 ( -1.067 -3.563 9.018) 9.754 4.325 ( -2.059 -7.631 2.359) 8.249 5.578 ( -8.915 -1.232 7.256) 11.560 5.680 ( 11.778 4.083 2.473) 12.709 6.116 ( -5.507 -0.373 -4.154) 6.908 6.215 ( -12.888 -2.754 -7.352) 15.091 8.100 ( 32.932 14.435 0.159) 35.957 8.162 ( 22.695 11.710 3.815) 25.821 10.605 ( 20.894 0.684 1.730) 20.976 10.820 ( 6.854 -0.786 -0.706) 6.935 11.947 ( 20.056 6.352 -3.018) 21.253 13.867 ( 7.830 13.600 13.129) 20.460 14.375 ( -0.631 -11.607 -15.559) 19.422 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -20.413 -5.441 3.188) 21.365 1.424 ( -17.783 -0.691 2.143) 17.925 2.071 ( -12.000 -3.026 -0.768) 12.399 2.155 ( -23.976 -2.399 -1.052) 24.119 2.977 ( -25.348 -4.282 -0.780) 25.719 4.167 ( 1.906 -1.773 5.094) 5.721 4.243 ( -0.364 -6.402 2.363) 6.834 5.257 ( -21.558 -3.961 4.545) 22.385 5.834 ( -10.171 -4.309 -10.882) 15.506 5.956 ( -12.415 -1.426 3.220) 12.904 6.153 ( 16.349 7.365 4.374) 18.457 8.430 ( 10.980 2.246 -1.580) 11.318 8.889 ( 35.293 8.926 1.265) 36.426 10.928 ( 16.172 1.173 -0.871) 16.238 10.982 ( 12.410 0.246 -1.010) 12.454 12.343 ( 21.344 4.252 -10.608) 24.211 14.140 ( -6.766 -8.330 -20.290) 22.953 14.230 ( 11.490 11.488 23.868) 28.874 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.000 14.589 12.496) 19.209 1.239 ( -0.000 18.629 5.810) 19.514 1.676 ( 0.000 35.332 3.121) 35.470 2.049 ( 0.000 2.691 -0.690) 2.778 2.648 ( 0.000 25.230 0.917) 25.247 4.204 ( -0.000 1.859 0.954) 2.089 4.401 ( -0.000 2.086 4.525) 4.983 5.123 ( -0.000 21.565 9.464) 23.550 5.483 ( 0.000 13.596 -10.361) 17.094 5.698 ( 0.000 12.264 -9.037) 15.234 6.577 ( -0.000 -19.171 14.834) 24.240 8.438 ( 0.000 -4.657 -9.817) 10.865 9.334 ( -0.000 -30.879 2.409) 30.973 11.046 ( 0.000 -10.047 -5.660) 11.532 11.131 ( -0.000 -10.846 -1.713) 10.981 12.079 ( 0.000 2.815 -36.777) 36.884 13.659 ( 0.000 20.456 -13.389) 24.448 14.963 ( -0.000 -33.988 30.018) 45.347 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 2.744 14.641 7.850) 16.838 1.481 ( 5.829 15.271 3.526) 16.722 2.064 ( 3.384 8.696 -0.306) 9.336 2.156 ( 12.195 20.498 0.536) 23.858 2.981 ( 10.063 23.018 1.788) 25.185 4.238 ( 0.398 3.619 1.887) 4.101 4.330 ( -11.704 3.797 5.364) 13.423 5.343 ( -1.869 21.660 3.835) 22.077 5.579 ( -1.318 11.129 -12.448) 16.750 5.877 ( 13.194 8.172 -5.852) 16.586 6.453 ( 0.113 -15.015 18.813) 24.071 8.309 ( -4.924 -7.675 -10.292) 13.751 8.929 ( -10.393 -34.453 2.571) 36.078 10.874 ( -6.579 -11.850 -4.081) 14.154 10.953 ( -6.187 -11.907 -1.817) 13.541 11.923 ( -3.052 -8.133 -25.294) 26.744 13.811 ( 0.364 15.337 -11.151) 18.966 14.749 ( 0.946 -28.057 23.051) 36.324 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 8.250 13.377 3.119) 16.023 1.727 ( 5.217 13.850 2.136) 14.953 2.130 ( 1.546 2.655 -1.295) 3.334 2.606 ( 16.169 15.089 -1.938) 22.201 3.406 ( 14.480 17.840 3.253) 23.206 4.175 ( -11.822 4.045 3.614) 13.007 4.306 ( 1.144 5.543 4.405) 7.172 5.456 ( -2.752 6.619 -4.340) 8.380 5.618 ( -0.771 12.121 -3.641) 12.680 6.204 ( 15.221 7.220 -0.848) 16.868 6.422 ( 2.340 -9.467 16.405) 19.084 8.033 ( -12.625 -12.060 -11.297) 20.795 8.365 ( -19.443 -29.253 2.466) 35.211 10.563 ( -13.031 -14.332 -3.079) 19.614 10.740 ( -3.464 -11.553 -2.506) 12.319 11.672 ( -6.540 -10.828 -17.098) 21.269 13.850 ( -7.242 9.311 -5.558) 13.040 14.616 ( 5.282 -22.926 14.580) 27.679 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 9.048 10.134 0.693) 13.604 1.949 ( 4.198 15.674 0.577) 16.237 2.166 ( 0.773 2.133 -1.905) 2.962 2.944 ( 12.660 6.150 -4.863) 14.891 3.753 ( 3.148 11.832 4.149) 12.927 4.104 ( 2.110 4.033 2.970) 5.435 4.413 ( 2.517 5.651 6.875) 9.249 5.435 ( -0.559 0.098 0.970) 1.124 5.710 ( 0.349 4.661 -1.576) 4.932 6.382 ( -1.238 -3.694 7.463) 8.419 6.486 ( 8.685 -0.971 5.536) 10.344 7.587 ( -17.994 -15.149 -11.998) 26.405 7.765 ( -27.264 -13.627 1.040) 30.498 10.156 ( -17.090 -14.472 -3.138) 22.613 10.633 ( 5.810 -11.169 -2.654) 12.867 11.414 ( -6.475 -8.459 -11.466) 15.652 13.721 ( -13.916 4.821 -1.185) 14.775 14.567 ( 8.578 -19.952 7.798) 23.076 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 4.463 6.924 1.162) 8.319 2.137 ( 0.567 5.885 -2.774) 6.531 2.249 ( 5.638 14.248 -1.669) 15.414 3.111 ( 4.688 1.770 -7.002) 8.610 3.774 ( -7.402 8.030 4.470) 11.800 4.340 ( 15.364 1.281 3.656) 15.844 4.522 ( 1.436 3.442 8.536) 9.315 5.458 ( 2.920 -2.991 3.472) 5.434 5.674 ( -4.155 -3.440 0.881) 5.466 6.275 ( -7.364 -6.805 4.965) 11.189 6.554 ( -1.833 -2.166 2.740) 3.945 7.149 ( -20.644 -5.388 -12.720) 24.839 7.212 ( -24.241 0.890 1.311) 24.292 9.703 ( -17.514 -15.198 -2.653) 23.340 10.700 ( 14.736 -10.387 -2.666) 18.225 11.238 ( -3.886 -2.924 -6.909) 8.449 13.504 ( -14.249 1.364 0.179) 14.315 14.548 ( 9.010 -18.928 4.074) 21.355 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 0.723 6.185 1.377) 6.377 2.145 ( -0.875 1.827 -2.721) 3.392 2.524 ( 6.772 18.233 -3.153) 19.704 3.093 ( -6.118 2.928 -7.150) 9.855 3.783 ( -0.671 5.104 3.894) 6.455 4.527 ( 1.765 -3.556 5.410) 6.710 4.612 ( 8.045 -0.639 6.158) 10.152 5.410 ( -2.200 -6.951 -3.417) 8.052 5.626 ( -1.461 1.089 4.301) 4.671 6.071 ( -7.915 -6.390 2.075) 10.382 6.395 ( -14.714 2.115 -2.314) 15.045 6.657 ( -31.212 7.499 3.577) 32.299 7.096 ( -0.283 7.703 -6.917) 10.357 9.291 ( -11.296 -15.940 -1.667) 19.607 10.864 ( 18.399 -14.092 -2.446) 23.304 11.179 ( -3.296 6.061 -2.699) 7.408 13.297 ( -9.523 -1.670 0.489) 9.680 14.523 ( 8.598 -18.789 1.643) 20.728 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -2.609 3.984 -0.518) 4.791 2.155 ( -0.020 3.589 -0.674) 3.652 2.786 ( 5.143 16.896 -3.924) 18.092 2.946 ( -12.736 5.480 -6.144) 15.165 3.846 ( 1.656 1.856 2.224) 3.337 4.458 ( -5.042 -4.174 3.585) 7.463 4.727 ( 6.590 -6.532 4.123) 10.154 5.341 ( 0.191 0.696 -7.066) 7.102 5.539 ( -8.044 0.052 -5.193) 9.575 5.982 ( -2.760 -0.299 5.418) 6.088 6.226 ( -5.444 7.239 -1.358) 9.159 6.306 ( -26.410 17.444 7.839) 32.607 7.199 ( 2.039 10.966 -3.769) 11.773 9.041 ( 0.525 -14.291 -0.802) 14.323 10.989 ( 17.791 -22.496 -1.925) 28.746 11.205 ( -6.679 15.528 0.429) 16.910 13.177 ( -1.922 -2.596 0.920) 3.359 14.483 ( 8.169 -18.776 -0.484) 20.481 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -3.780 2.836 -1.058) 4.842 2.188 ( -0.571 3.961 -0.031) 4.002 2.743 ( -16.222 7.237 -5.403) 18.567 2.996 ( 3.456 13.993 -4.232) 15.022 3.848 ( -3.246 -1.057 2.081) 3.998 4.356 ( -2.211 -2.903 -1.169) 3.832 4.733 ( 1.953 -9.762 4.256) 10.827 5.286 ( -3.112 -1.057 -12.439) 12.866 5.496 ( 0.191 7.030 -0.153) 7.034 5.945 ( -3.049 4.665 2.812) 6.243 6.193 ( -10.919 21.418 3.440) 24.286 6.362 ( 8.743 8.574 2.198) 12.442 7.322 ( -2.046 14.530 1.429) 14.743 9.049 ( 13.898 -8.024 -0.436) 16.054 11.006 ( 11.014 -23.473 -1.099) 25.952 11.236 ( -6.188 12.937 1.404) 14.409 13.199 ( 4.872 1.027 1.824) 5.303 14.430 ( 7.706 -18.578 -2.559) 20.275 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -5.093 1.890 -0.762) 5.486 2.210 ( -1.232 3.500 -0.262) 3.720 2.505 ( -18.490 7.149 -3.785) 20.182 3.135 ( 0.970 8.583 -5.289) 10.128 3.766 ( -5.420 0.958 3.298) 6.416 4.313 ( 0.321 -3.084 -3.151) 4.421 4.631 ( -3.199 -12.231 5.533) 13.801 5.218 ( -0.142 1.768 -9.314) 9.482 5.582 ( 3.019 3.348 3.041) 5.438 6.024 ( 4.927 5.317 -0.078) 7.250 6.338 ( 4.687 12.391 -0.648) 13.263 6.655 ( 11.359 17.021 -0.526) 20.470 7.431 ( -2.222 14.526 6.073) 15.900 9.338 ( 22.993 1.648 0.182) 23.053 10.897 ( 1.961 -19.364 -0.895) 19.483 11.282 ( 1.747 4.654 0.752) 5.028 13.362 ( 7.804 7.752 3.304) 11.485 14.364 ( 7.010 -18.174 -4.661) 20.029 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -7.593 0.234 -0.654) 7.625 2.185 ( -11.328 5.802 -1.245) 12.788 2.260 ( -10.391 2.430 -1.005) 10.719 3.128 ( -5.675 1.062 -5.269) 7.817 3.738 ( -4.297 6.027 2.845) 7.930 4.256 ( -2.009 -4.880 -1.259) 5.426 4.448 ( -5.559 -11.932 6.356) 14.617 5.266 ( 5.520 3.439 -3.350) 7.316 5.680 ( 4.803 0.396 1.260) 4.981 6.161 ( 3.726 6.109 -2.255) 7.502 6.455 ( 2.967 -4.854 0.569) 5.718 7.098 ( 16.991 25.790 -2.896) 31.020 7.614 ( 9.121 8.418 6.332) 13.934 9.802 ( 24.654 7.501 1.141) 25.795 10.733 ( 1.245 -16.419 -1.294) 16.517 11.408 ( 9.705 2.296 -1.165) 10.041 13.618 ( 7.909 13.912 5.796) 17.021 14.280 ( 5.850 -17.575 -6.917) 19.772 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -14.192 -1.024 -0.857) 14.254 1.945 ( -16.914 3.542 0.452) 17.286 2.203 ( -2.790 0.524 -0.546) 2.891 2.940 ( -14.734 -0.716 -2.968) 15.048 3.664 ( -12.795 3.289 -0.533) 13.222 4.161 ( -2.410 -5.561 4.198) 7.372 4.300 ( -2.811 -6.556 3.605) 7.993 5.448 ( 12.545 2.544 0.555) 12.813 5.717 ( -1.754 -1.129 0.375) 2.119 6.215 ( -3.180 4.120 -1.280) 5.360 6.363 ( -7.713 -2.775 0.301) 8.202 7.679 ( 28.878 14.031 -1.742) 32.153 7.921 ( 17.850 1.957 2.540) 18.136 10.264 ( 21.544 4.731 0.830) 22.073 10.659 ( 6.443 -9.067 -1.701) 11.252 11.652 ( 17.291 2.356 -4.189) 17.946 13.926 ( 7.641 15.940 10.322) 20.470 14.173 ( 3.824 -15.178 -9.432) 18.274 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -19.855 0.177 0.926) 19.877 1.698 ( -15.157 -1.002 0.747) 15.208 2.149 ( -3.617 0.011 -0.544) 3.658 2.613 ( -24.232 2.775 0.449) 24.394 3.376 ( -22.382 1.658 0.316) 22.446 4.106 ( 0.885 -6.016 2.257) 6.486 4.242 ( -1.829 -0.164 1.832) 2.594 5.541 ( -12.660 -4.573 -3.072) 13.806 5.696 ( 9.848 -1.852 -3.281) 10.544 6.158 ( -5.780 3.757 7.939) 10.515 6.211 ( -9.933 3.965 0.593) 10.712 8.192 ( 17.101 -1.384 -4.447) 17.724 8.323 ( 35.475 -1.349 1.588) 35.536 10.615 ( 19.517 -1.791 -1.632) 19.667 10.775 ( 11.251 1.091 -0.941) 11.343 11.970 ( 20.373 -0.381 -9.814) 22.616 14.000 ( 0.979 -15.317 -9.783) 18.201 14.299 ( 8.126 17.828 15.571) 25.027 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -0.000 12.657 6.493) 14.225 1.553 ( -0.000 11.121 3.162) 11.562 2.095 ( 0.000 2.519 -0.984) 2.704 2.286 ( 0.000 25.717 -1.587) 25.766 3.127 ( 0.000 22.096 2.134) 22.199 4.293 ( -0.000 6.652 2.692) 7.176 4.498 ( -0.000 3.755 4.984) 6.240 5.554 ( 0.000 14.090 -0.949) 14.122 5.729 ( 0.000 -1.675 -11.963) 12.080 5.758 ( 0.000 21.837 -0.573) 21.845 6.363 ( -0.000 -14.418 19.299) 24.090 8.228 ( 0.000 -10.741 -9.578) 14.392 8.637 ( -0.000 -41.852 2.747) 41.943 10.818 ( 0.000 -10.341 -3.267) 10.844 10.907 ( -0.000 -10.174 -1.240) 10.250 11.755 ( 0.000 -13.266 -22.795) 26.374 13.896 ( 0.000 10.469 -11.677) 15.683 14.563 ( -0.000 -22.716 21.702) 31.417 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 2.841 12.232 3.233) 12.967 1.732 ( 7.447 8.918 2.526) 11.890 2.126 ( 1.176 2.302 -1.285) 2.886 2.555 ( 7.236 16.642 -4.305) 18.651 3.401 ( 7.559 17.860 3.353) 19.681 4.378 ( -1.094 9.164 2.928) 9.683 4.449 ( -9.955 3.987 5.995) 12.286 5.550 ( -5.650 0.504 -6.705) 8.783 5.706 ( 0.864 3.662 -1.985) 4.254 6.082 ( 10.538 17.416 0.997) 20.380 6.323 ( 3.167 -10.838 14.667) 18.510 8.011 ( -7.037 -19.587 -8.502) 22.483 8.218 ( -1.736 -36.491 1.581) 36.566 10.597 ( -10.032 -16.099 -1.881) 19.062 10.762 ( -6.802 -4.461 -2.704) 8.572 11.550 ( -0.505 -13.625 -17.456) 22.150 13.943 ( 2.348 2.213 -9.161) 9.713 14.433 ( -2.405 -14.738 17.373) 22.909 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 6.488 10.777 0.753) 12.602 1.975 ( 9.387 10.495 1.494) 14.159 2.159 ( 0.985 1.516 -2.010) 2.703 2.801 ( 9.606 7.757 -6.384) 13.900 3.724 ( 11.264 11.600 4.555) 16.798 4.289 ( -12.760 5.518 3.434) 14.319 4.493 ( -0.179 8.513 7.393) 11.277 5.440 ( -2.344 -5.183 -0.233) 5.694 5.730 ( -0.215 0.499 -0.983) 1.123 6.316 ( 5.185 -9.553 9.802) 14.637 6.409 ( 6.448 11.132 1.347) 12.935 7.574 ( -9.403 -29.025 -6.580) 31.212 7.909 ( -6.848 -16.791 -2.257) 18.274 10.236 ( -8.985 -19.823 -2.233) 21.878 10.562 ( -11.974 -2.124 -4.082) 12.828 11.366 ( -1.761 -9.259 -11.272) 14.693 13.938 ( -2.623 0.397 -6.190) 6.734 14.302 ( -1.346 -14.849 12.688) 19.578 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 6.249 7.249 0.490) 9.583 2.169 ( -0.235 2.054 -2.706) 3.405 2.269 ( 10.063 14.687 -0.723) 17.818 2.984 ( 8.692 2.681 -7.111) 11.546 3.980 ( 2.378 6.961 6.028) 9.511 4.188 ( -1.677 3.002 3.054) 4.599 4.590 ( -0.312 6.076 8.946) 10.818 5.371 ( 1.494 -8.848 1.849) 9.162 5.706 ( -1.875 -0.776 0.564) 2.106 6.285 ( -0.950 -9.890 5.331) 11.275 6.550 ( 1.645 1.639 4.048) 4.666 7.181 ( -5.726 -17.578 -11.041) 21.533 7.615 ( -15.739 -2.560 -0.519) 15.955 9.903 ( -13.186 -12.375 -2.539) 18.261 10.333 ( -1.179 -14.113 -4.815) 14.958 11.266 ( -0.835 0.084 -6.212) 6.269 13.791 ( -14.291 1.959 -1.564) 14.510 14.210 ( 6.632 -19.801 6.256) 21.799 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 4.183 4.726 0.931) 6.380 2.169 ( -0.642 1.898 -2.917) 3.539 2.588 ( 8.098 19.361 -2.725) 21.163 3.097 ( 4.800 1.878 -6.844) 8.568 3.953 ( -9.746 6.158 5.610) 12.821 4.326 ( 11.805 -4.701 3.265) 13.119 4.645 ( -1.997 2.310 9.429) 9.911 5.316 ( 2.329 -8.972 -1.682) 9.421 5.680 ( -1.895 1.123 2.413) 3.268 6.132 ( -6.275 -8.581 2.733) 10.976 6.539 ( -4.400 -2.432 0.774) 5.087 6.969 ( -2.928 -3.800 -9.178) 10.356 7.370 ( -17.449 11.971 2.132) 21.268 9.483 ( -23.987 -6.007 -2.110) 24.818 10.277 ( 19.176 -27.431 -4.255) 33.738 11.303 ( 0.576 10.523 -2.645) 10.865 13.524 ( -17.086 0.013 0.582) 17.095 14.162 ( 9.671 -22.095 2.245) 24.223 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -0.833 2.400 -0.920) 2.702 2.180 ( 1.551 3.726 -0.764) 4.107 2.879 ( 4.477 19.966 -3.799) 20.812 3.129 ( -2.858 5.238 -5.789) 8.313 3.887 ( -4.423 2.508 3.969) 6.451 4.428 ( 6.081 -9.183 2.755) 11.353 4.633 ( -2.181 -1.732 7.516) 8.015 5.285 ( 2.552 -2.998 -5.942) 7.128 5.639 ( -4.701 -0.659 0.037) 4.747 6.015 ( -1.590 -0.953 3.796) 4.224 6.375 ( -8.852 -1.431 -6.268) 10.941 6.884 ( -13.543 10.249 4.564) 17.587 7.340 ( -4.455 21.408 -0.989) 21.889 9.039 ( -16.991 -8.835 -1.214) 19.189 10.352 ( 23.919 -31.847 -2.781) 39.925 11.441 ( -1.141 17.069 -0.391) 17.111 13.265 ( -11.370 -1.926 0.986) 11.574 14.114 ( 10.292 -23.072 0.137) 25.263 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -2.376 1.991 -1.618) 3.496 2.234 ( 0.258 3.532 0.144) 3.545 3.055 ( -9.816 10.137 -5.470) 15.134 3.097 ( -0.668 15.691 -3.043) 15.998 3.873 ( -0.499 -0.424 2.515) 2.599 4.373 ( -2.135 -6.732 -0.176) 7.065 4.609 ( 1.558 -7.589 5.784) 9.668 5.271 ( -0.200 -0.971 -9.067) 9.121 5.573 ( -2.509 3.610 -0.024) 4.396 6.041 ( -1.195 2.532 5.690) 6.341 6.252 ( -0.702 -0.386 -6.241) 6.292 6.761 ( -17.233 20.100 4.250) 26.816 7.538 ( -2.726 23.424 2.095) 23.675 8.823 ( 2.846 -5.563 -1.008) 6.329 10.413 ( 21.825 -34.310 -1.554) 40.693 11.536 ( -8.177 16.270 0.718) 18.223 13.162 ( 0.335 1.238 1.338) 1.853 14.062 ( 10.396 -23.047 -1.396) 25.322 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -3.614 1.341 -1.050) 3.995 2.259 ( -0.799 2.805 -0.193) 2.923 2.895 ( -17.877 10.364 -3.359) 20.935 3.203 ( -0.866 8.438 -3.973) 9.366 3.861 ( -2.481 1.753 2.720) 4.077 4.285 ( -0.985 -3.501 -3.329) 4.930 4.555 ( -0.151 -10.599 6.060) 12.210 5.219 ( -1.388 1.378 -7.904) 8.142 5.609 ( 0.251 3.461 2.689) 4.390 6.031 ( -1.798 2.699 0.997) 3.393 6.291 ( 5.325 -1.540 -0.268) 5.550 6.813 ( -2.412 25.531 -1.947) 25.719 7.624 ( -6.359 7.887 5.407) 11.484 9.055 ( 18.446 13.164 -0.942) 22.681 10.404 ( 18.093 -35.315 -1.540) 39.709 11.488 ( -11.472 9.850 0.748) 15.139 13.311 ( 9.100 9.807 2.358) 13.585 14.007 ( 9.954 -22.118 -2.683) 24.402 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -5.426 0.719 -0.431) 5.490 2.262 ( -1.207 1.481 -0.715) 2.040 2.634 ( -21.433 6.129 -2.034) 22.384 3.205 ( -3.293 2.380 -3.470) 5.343 3.862 ( -2.472 4.683 3.022) 6.097 4.239 ( -0.799 -1.443 -4.223) 4.534 4.440 ( -3.758 -9.821 7.333) 12.820 5.224 ( 1.836 3.176 -3.420) 5.015 5.639 ( 0.831 0.113 2.638) 2.768 6.100 ( 6.548 2.593 -1.177) 7.140 6.362 ( 4.166 -1.390 2.137) 4.884 7.116 ( 9.386 23.049 -5.844) 25.563 7.572 ( -0.682 -6.745 5.688) 8.850 9.566 ( 19.467 19.710 -0.233) 27.704 10.355 ( 15.057 -27.732 -2.332) 31.641 11.405 ( -4.836 3.881 -0.409) 6.214 13.629 ( 10.726 16.890 4.306) 20.466 13.947 ( 8.831 -20.654 -3.912) 22.801 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -8.614 0.487 -0.147) 8.629 2.240 ( -1.955 -0.528 -1.293) 2.402 2.296 ( -21.229 1.106 -0.620) 21.267 3.127 ( -7.556 2.343 -1.800) 8.113 3.842 ( -4.710 -0.848 2.161) 5.251 4.186 ( -4.602 1.648 -3.900) 6.253 4.324 ( -3.509 -3.952 8.010) 9.597 5.315 ( 5.811 2.050 1.048) 6.251 5.681 ( 3.922 -0.772 0.666) 4.052 6.237 ( 5.178 2.217 -1.056) 5.730 6.404 ( 0.355 -0.580 3.860) 3.919 7.446 ( 10.463 8.813 -5.342) 14.686 7.595 ( 16.136 -11.513 1.697) 19.894 9.971 ( 17.554 -1.916 -1.242) 17.702 10.442 ( 11.758 1.944 -1.716) 12.041 11.433 ( 7.352 -0.236 -3.150) 8.002 13.867 ( 6.061 -17.126 -3.226) 18.451 14.009 ( 10.374 18.174 5.577) 21.657 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -13.997 2.052 0.104) 14.147 1.942 ( -17.556 -3.618 0.139) 17.925 2.197 ( -2.750 -0.586 -1.061) 3.006 2.981 ( -14.109 5.326 0.771) 15.101 3.691 ( -11.283 -2.523 2.076) 11.747 4.093 ( -5.628 0.719 -1.956) 6.001 4.302 ( -2.272 3.148 3.572) 5.276 5.431 ( 7.042 -2.822 -0.613) 7.611 5.723 ( -1.684 0.302 0.335) 1.743 6.259 ( -1.892 -1.125 3.713) 4.316 6.402 ( -4.800 5.790 3.691) 8.378 7.702 ( 27.426 -12.840 0.196) 30.284 7.825 ( 19.342 -8.342 -6.605) 22.076 10.223 ( 21.338 -6.689 -3.113) 22.578 10.668 ( 6.241 9.334 -0.741) 11.253 11.616 ( 16.088 -1.779 -7.337) 17.772 13.776 ( 4.342 -15.855 -4.759) 17.114 14.377 ( 8.562 17.988 10.605) 22.568 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -0.000 10.549 2.899) 10.940 1.734 ( 0.000 6.332 1.668) 6.548 2.129 ( 0.000 1.688 -1.258) 2.106 2.622 ( 0.000 11.262 -6.110) 12.812 3.518 ( 0.000 15.866 3.791) 16.312 4.498 ( -0.000 11.211 3.987) 11.899 4.590 ( -0.000 2.446 4.541) 5.158 5.545 ( -0.000 -10.880 -2.818) 11.239 5.700 ( 0.000 5.651 -6.093) 8.310 6.199 ( 0.000 18.202 4.270) 18.696 6.225 ( -0.000 -10.760 11.522) 15.765 7.776 ( -0.000 -47.320 2.701) 47.397 7.885 ( 0.000 -18.256 -8.535) 20.152 10.553 ( -0.000 -17.264 -2.875) 17.502 10.755 ( -0.000 -4.199 -0.423) 4.220 11.374 ( 0.000 -8.991 -16.148) 18.482 13.832 ( 0.000 -9.644 -5.271) 10.990 14.462 ( -0.000 -0.568 12.500) 12.513 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 2.829 10.007 1.195) 10.468 1.879 ( 9.353 5.248 1.407) 10.817 2.151 ( 1.130 1.352 -1.561) 2.354 2.720 ( 5.068 4.750 -6.832) 9.743 3.710 ( 4.923 11.285 3.799) 12.885 4.542 ( -8.302 1.378 6.223) 10.466 4.617 ( -1.346 11.638 3.417) 12.204 5.397 ( -2.316 -12.430 1.151) 12.696 5.726 ( 0.366 0.300 -2.324) 2.372 6.183 ( 2.767 -8.179 7.577) 11.488 6.423 ( 5.790 11.557 1.007) 12.966 7.309 ( -2.114 -41.603 0.598) 41.661 7.707 ( 4.208 -20.266 -6.864) 21.806 10.195 ( -13.115 -23.465 -3.231) 27.075 10.745 ( -3.158 3.580 -1.568) 5.025 11.256 ( -1.088 -5.166 -11.178) 12.361 13.759 ( 5.567 -12.689 -3.593) 14.315 14.439 ( -8.666 2.350 9.580) 13.130 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 4.549 7.030 0.633) 8.397 2.131 ( 9.541 2.484 -1.045) 9.914 2.200 ( 6.394 7.173 -1.101) 9.672 2.842 ( 8.266 1.523 -6.289) 10.497 3.908 ( 7.468 4.716 3.623) 9.547 4.412 ( -11.052 2.453 6.777) 13.195 4.702 ( -1.874 8.091 5.305) 9.855 5.255 ( -0.009 -13.182 1.997) 13.332 5.716 ( 0.169 -1.440 -0.179) 1.461 6.183 ( 2.896 -8.199 4.976) 10.019 6.555 ( 1.210 1.032 1.630) 2.277 6.960 ( 2.014 -26.888 -3.388) 27.175 7.613 ( 5.953 -11.899 -5.783) 14.508 9.757 ( -6.666 -25.860 -2.897) 26.862 10.608 ( -20.746 8.148 -3.464) 22.556 11.205 ( 3.875 -1.484 -5.862) 7.182 13.725 ( 6.795 -14.742 -3.057) 16.518 14.277 ( -15.656 1.244 7.650) 17.469 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 4.846 3.759 0.567) 6.159 2.177 ( 0.795 1.233 -2.395) 2.809 2.543 ( 15.798 13.458 -1.389) 20.800 2.979 ( 8.232 1.441 -5.245) 9.867 4.061 ( 6.543 -1.710 4.243) 7.984 4.275 ( -9.674 2.125 5.390) 11.276 4.744 ( -2.772 4.013 7.643) 9.067 5.166 ( 3.242 -10.444 -0.818) 10.966 5.707 ( 0.084 -1.284 0.057) 1.288 6.122 ( -1.584 -8.459 3.111) 9.151 6.539 ( -0.878 -5.617 0.538) 5.710 6.840 ( 6.465 -7.905 -3.655) 10.846 7.608 ( 0.202 1.074 -3.254) 3.433 9.495 ( 6.673 -26.372 -2.355) 27.305 10.201 ( -30.596 2.874 -3.397) 30.918 11.318 ( 7.061 7.401 -2.794) 10.604 13.660 ( 2.739 -14.413 -2.733) 14.924 14.011 ( -15.841 -3.745 5.803) 17.282 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 4.226 2.173 0.611) 4.791 2.192 ( -0.068 2.051 -2.268) 3.059 2.929 ( 12.420 16.584 -2.247) 20.841 3.105 ( 5.985 2.950 -4.152) 7.859 4.056 ( -7.951 -0.003 5.141) 9.468 4.223 ( 4.563 -6.776 2.138) 8.445 4.726 ( -4.937 0.128 7.697) 9.145 5.162 ( 5.485 -4.344 -4.047) 8.083 5.679 ( -1.484 -2.306 -0.303) 2.759 6.044 ( -1.544 -1.584 3.141) 3.842 6.406 ( -3.605 -8.936 -6.207) 11.462 6.993 ( 7.132 8.577 2.461) 11.423 7.630 ( -2.734 13.582 -0.381) 13.859 9.351 ( -8.246 -13.033 -1.777) 15.525 9.735 ( -6.613 -18.638 -2.417) 19.924 11.544 ( 7.071 14.248 -1.054) 15.942 13.483 ( -11.396 -5.808 -0.669) 12.808 13.777 ( -0.612 -16.188 2.229) 16.352 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -1.311 1.714 -1.199) 2.468 2.234 ( 2.862 1.808 -0.139) 3.388 3.189 ( 0.738 9.160 -3.619) 9.877 3.243 ( 4.588 12.983 -2.053) 13.922 3.929 ( -6.658 0.066 2.880) 7.254 4.226 ( 5.438 -12.137 1.056) 13.342 4.641 ( -6.031 -1.988 5.280) 8.259 5.209 ( 3.775 -0.604 -5.490) 6.690 5.630 ( -1.861 -0.129 -0.013) 1.866 6.076 ( 1.775 3.929 5.516) 7.001 6.249 ( -3.303 -5.604 -8.526) 10.724 7.101 ( -5.657 7.430 4.013) 10.164 7.862 ( 1.441 29.925 1.284) 29.987 8.928 ( -21.584 -1.633 -1.451) 21.694 9.658 ( 22.805 -36.459 -1.516) 43.030 11.770 ( 0.442 15.255 0.061) 15.262 13.252 ( -9.334 0.728 0.758) 9.393 13.669 ( 8.003 -21.257 -0.386) 22.717 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -2.518 1.159 -0.606) 2.837 2.279 ( 0.816 1.164 -0.417) 1.481 3.223 ( -6.802 9.091 -2.994) 11.742 3.308 ( -6.689 5.280 -1.341) 8.627 3.901 ( 0.320 2.649 1.889) 3.269 4.192 ( 4.068 -9.053 -1.640) 10.060 4.539 ( -4.469 -3.632 4.532) 7.328 5.228 ( 0.169 1.760 -4.632) 4.958 5.629 ( 0.632 1.149 0.780) 1.526 6.114 ( -4.664 -0.773 -4.062) 6.233 6.200 ( 4.562 1.997 4.554) 6.748 7.065 ( -5.533 8.101 0.269) 9.814 7.918 ( -19.766 7.929 2.232) 21.414 8.959 ( 13.996 22.963 -1.100) 26.915 9.683 ( 23.094 -37.083 -1.186) 43.703 11.784 ( -11.804 7.166 0.258) 13.812 13.280 ( 6.086 10.129 1.270) 11.885 13.617 ( 9.834 -19.771 -1.195) 22.114 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -3.793 0.676 0.213) 3.859 2.281 ( -0.714 -0.144 -1.110) 1.327 3.025 ( -20.006 1.728 -1.348) 20.126 3.262 ( -2.148 1.595 -1.634) 3.135 3.917 ( -1.227 -1.769 1.423) 2.581 4.217 ( 3.164 3.170 -2.521) 5.140 4.453 ( -3.433 -3.732 5.274) 7.316 5.240 ( -0.254 3.927 -1.487) 4.206 5.643 ( -0.206 -1.707 1.129) 2.057 6.040 ( 0.216 -0.803 -2.775) 2.897 6.308 ( 3.501 1.586 6.523) 7.571 7.117 ( 5.036 3.321 -3.858) 7.161 7.618 ( -13.381 -5.959 0.616) 14.661 9.427 ( 15.860 -0.445 -1.007) 15.898 9.827 ( 23.281 1.632 -1.102) 23.364 11.584 ( -13.218 -0.468 -0.493) 13.236 13.540 ( 12.688 -8.496 -1.633) 15.357 13.658 ( 9.647 8.818 2.429) 13.293 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -5.630 0.143 0.675) 5.672 2.251 ( -1.250 -1.564 -1.763) 2.668 2.650 ( -21.749 -3.582 -0.593) 22.050 3.231 ( -2.973 1.611 -1.030) 3.534 3.841 ( -2.196 -7.689 1.064) 8.067 4.305 ( -0.707 10.449 -2.033) 10.668 4.385 ( -4.215 -0.961 6.494) 7.801 5.293 ( 1.521 3.885 2.806) 5.028 5.612 ( 1.209 -3.413 0.492) 3.654 6.104 ( 8.069 -1.738 -0.442) 8.266 6.398 ( 3.011 1.885 5.128) 6.238 7.190 ( 11.782 -21.737 0.554) 24.731 7.424 ( -3.342 0.861 -7.853) 8.578 9.550 ( 18.497 -19.205 -1.717) 26.719 10.367 ( 15.210 28.764 -1.082) 32.556 11.387 ( -5.230 -4.748 -2.128) 7.377 13.555 ( 8.913 -16.169 -2.784) 18.671 14.042 ( 11.326 20.940 5.088) 24.345 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -7.856 -0.180 0.624) 7.883 2.183 ( -7.242 -3.135 -1.501) 8.033 2.270 ( -14.971 -2.530 -0.260) 15.185 3.184 ( -4.818 2.454 -0.096) 5.408 3.717 ( -2.939 -8.799 0.911) 9.322 4.307 ( -9.975 8.601 1.178) 13.224 4.385 ( -0.946 5.599 2.978) 6.412 5.359 ( 1.413 0.537 5.567) 5.769 5.666 ( 6.894 -1.018 -0.106) 6.970 6.205 ( 5.606 -5.127 2.374) 7.958 6.487 ( 2.839 3.918 3.272) 5.841 7.151 ( 15.963 -27.232 2.487) 31.663 7.429 ( 10.360 -9.497 -12.039) 18.506 9.760 ( 23.122 -7.656 -2.799) 24.517 10.736 ( 0.775 15.734 -0.919) 15.780 11.366 ( 9.135 -1.449 -5.039) 10.533 13.529 ( 6.250 -13.105 -2.850) 14.796 14.430 ( 9.298 17.742 7.379) 21.347 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 9.051 1.626) 9.196 1.837 ( 0.000 3.706 0.911) 3.816 2.142 ( 0.000 0.552 -1.328) 1.438 2.676 ( 0.000 0.011 -6.330) 6.330 3.785 ( -0.000 9.204 2.604) 9.565 4.616 ( -0.000 -2.906 7.884) 8.402 4.757 ( 0.000 9.976 1.306) 10.061 5.291 ( -0.000 -13.915 2.629) 14.161 5.703 ( 0.000 -4.062 -1.436) 4.309 6.121 ( -0.000 -4.676 5.240) 7.023 6.457 ( 0.000 6.983 -2.177) 7.314 6.911 ( -0.000 -40.526 4.481) 40.773 7.423 ( 0.000 -22.908 -8.012) 24.268 10.085 ( -0.000 -25.683 -5.098) 26.184 10.746 ( 0.000 2.940 0.221) 2.948 11.255 ( 0.000 3.659 -8.434) 9.193 13.587 ( -0.000 -10.885 -2.754) 11.228 14.580 ( -0.000 3.970 7.777) 8.731 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 1.759 5.781 1.751) 6.291 1.969 ( 9.668 4.048 -0.308) 10.486 2.170 ( 3.178 2.268 -1.106) 4.058 2.693 ( 5.977 -2.463 -4.851) 8.082 3.886 ( 2.489 5.254 1.558) 6.018 4.555 ( -4.659 -6.333 9.969) 12.696 4.821 ( -1.073 5.630 0.313) 5.740 5.160 ( -2.558 -9.627 2.371) 10.239 5.640 ( 2.533 -10.898 -0.371) 11.195 6.110 ( 0.407 -2.474 3.487) 4.295 6.525 ( 2.651 -0.254 -3.883) 4.708 6.632 ( 4.713 -24.855 5.769) 25.947 7.257 ( 10.214 -20.469 -8.432) 24.381 9.698 ( -12.513 -23.019 -3.848) 26.481 10.852 ( 3.621 7.186 -0.353) 8.054 11.196 ( -7.744 3.389 -5.723) 10.208 13.505 ( 2.646 -10.483 -2.399) 11.075 14.554 ( -10.008 3.149 6.273) 12.224 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 2.805 2.901 0.844) 4.123 2.130 ( 5.601 -0.087 -1.353) 5.763 2.372 ( 14.785 9.608 -0.328) 17.636 2.799 ( 10.726 -2.490 -2.915) 11.391 3.973 ( 3.466 1.045 1.123) 3.790 4.432 ( -5.860 -6.430 9.798) 13.103 4.852 ( -0.765 3.782 1.782) 4.250 5.042 ( -2.074 -6.771 0.348) 7.090 5.602 ( 6.228 -11.262 -1.418) 12.948 6.088 ( -1.286 -2.389 2.294) 3.553 6.479 ( -1.053 -8.618 -3.199) 9.253 6.637 ( 9.997 -4.008 6.892) 12.787 7.332 ( 19.743 -12.718 -9.340) 25.273 9.277 ( -9.884 -19.986 -1.687) 22.360 10.777 ( -25.546 9.672 -1.967) 27.386 11.206 ( 10.064 3.401 -2.395) 10.890 13.436 ( 2.833 -12.104 -1.889) 12.574 14.352 ( -18.408 1.518 4.552) 19.023 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 4.400 1.268 0.354) 4.593 2.189 ( 1.928 1.085 -1.021) 2.436 2.764 ( 18.848 9.823 -0.505) 21.260 2.973 ( 11.856 -0.006 -1.528) 11.954 4.023 ( 2.801 -2.898 1.067) 4.170 4.298 ( -7.656 -3.872 6.505) 10.766 4.846 ( -6.071 1.881 4.961) 8.063 5.007 ( 6.025 -3.870 -3.226) 7.854 5.611 ( 5.258 -6.698 -1.367) 8.625 6.064 ( -1.029 1.373 2.367) 2.923 6.330 ( -2.386 -11.035 -4.163) 12.033 6.911 ( 13.924 9.599 5.952) 17.928 7.550 ( 18.597 -3.763 -7.078) 20.251 8.998 ( 0.915 -20.638 -0.284) 20.661 10.286 ( -38.737 5.387 -1.228) 39.129 11.472 ( 13.738 8.318 -1.138) 16.101 13.354 ( 2.828 -12.833 -1.392) 13.214 14.014 ( -22.933 -0.569 2.836) 23.114 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 4.494 0.558 -0.408) 4.546 2.215 ( 0.130 1.320 0.067) 1.328 3.119 ( 12.475 2.956 -0.361) 12.825 3.202 ( 12.793 7.901 -0.733) 15.054 4.016 ( 0.625 -4.167 0.485) 4.241 4.138 ( -8.673 -3.503 3.132) 9.864 4.745 ( -6.554 -1.893 2.456) 7.251 5.102 ( 6.840 0.321 -2.526) 7.299 5.627 ( 1.496 -1.519 -0.334) 2.158 6.110 ( 1.275 5.418 4.048) 6.883 6.187 ( -1.154 -8.234 -5.092) 9.749 7.175 ( 4.133 3.992 1.515) 5.943 7.914 ( 20.999 15.260 -1.416) 25.997 8.898 ( 11.430 -21.778 -0.322) 24.597 9.622 ( -41.102 0.644 -0.206) 41.107 11.781 ( 11.876 8.296 -0.343) 14.491 13.292 ( 3.347 -8.207 -0.868) 8.905 13.627 ( -20.120 -3.050 1.301) 20.392 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -0.870 0.461 -0.328) 1.038 2.253 ( 2.539 0.254 0.216) 2.560 3.271 ( 3.872 1.861 -0.002) 4.296 3.420 ( 3.043 1.317 0.020) 3.316 3.965 ( -6.710 -0.427 1.753) 6.948 4.035 ( 4.866 -1.788 -1.407) 5.372 4.618 ( -6.224 -2.582 0.915) 6.800 5.203 ( 4.185 2.493 -1.597) 5.126 5.628 ( -0.165 -0.137 -0.014) 0.215 6.087 ( -0.507 -5.040 -5.617) 7.564 6.234 ( 2.200 7.224 6.838) 10.188 7.163 ( -3.994 -2.506 -0.803) 4.783 8.275 ( -2.992 -1.776 0.036) 3.480 9.033 ( 19.313 9.550 0.066) 21.545 9.069 ( -13.439 -6.852 -0.058) 15.086 11.941 ( -0.144 -0.061 0.000) 0.157 13.345 ( -6.801 -6.720 -0.082) 9.561 13.351 ( 6.381 6.553 0.082) 9.147 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -2.440 0.121 0.819) 2.577 2.273 ( 0.490 -1.269 -0.980) 1.677 3.269 ( -7.391 -6.255 1.154) 9.751 3.313 ( -6.620 -1.780 -0.799) 6.901 3.886 ( -0.154 -4.941 0.188) 4.946 4.193 ( 6.388 10.308 -1.010) 12.169 4.508 ( -4.270 -1.608 1.394) 4.771 5.279 ( 1.137 4.562 0.379) 4.716 5.619 ( 0.088 -1.985 0.028) 1.987 6.021 ( -0.690 -2.985 -5.053) 5.909 6.335 ( -0.141 3.439 8.984) 9.621 7.038 ( -2.876 -9.881 -2.304) 10.546 7.870 ( -22.064 -12.123 -2.136) 25.266 8.970 ( 13.184 -21.017 -0.104) 24.810 9.696 ( 22.900 38.042 0.049) 44.403 11.778 ( -12.117 -7.676 -0.342) 14.348 13.256 ( 5.002 -10.247 -0.989) 11.445 13.645 ( 11.333 19.977 1.389) 23.010 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -3.889 -0.808 1.275) 4.172 2.243 ( -0.949 -2.557 -1.721) 3.225 2.937 ( -18.575 -7.619 0.511) 20.083 3.241 ( -0.639 -5.721 -0.428) 5.773 3.829 ( -2.617 -3.060 -0.295) 4.037 4.356 ( 2.162 4.418 2.883) 5.701 4.484 ( -0.975 7.136 0.298) 7.208 5.339 ( -0.011 5.167 2.685) 5.823 5.581 ( -1.280 -4.125 1.163) 4.473 5.986 ( 2.240 -2.858 -2.102) 4.196 6.375 ( 1.741 -1.404 5.869) 6.280 6.835 ( 0.571 -26.801 0.143) 26.807 7.483 ( -9.775 -8.198 -7.753) 14.928 9.063 ( 17.464 -12.212 -0.146) 21.310 10.412 ( 17.827 35.735 -0.722) 39.942 11.468 ( -12.142 -10.344 -1.177) 15.995 13.271 ( 7.867 -9.399 -1.423) 12.339 14.065 ( 12.093 21.845 2.808) 25.126 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -5.582 -2.140 1.103) 6.079 2.193 ( -1.048 -2.671 -1.865) 3.422 2.553 ( -19.252 -4.492 0.528) 19.776 3.180 ( 1.490 -7.341 -1.086) 7.569 3.737 ( -5.399 -1.456 0.466) 5.612 4.409 ( 1.264 0.686 6.069) 6.237 4.556 ( -4.102 12.448 -1.035) 13.147 5.401 ( -0.028 3.529 6.589) 7.475 5.540 ( 2.704 -4.032 0.508) 4.881 6.036 ( 7.479 -4.767 1.224) 8.954 6.380 ( 3.911 -14.386 2.743) 15.159 6.649 ( 12.603 -24.673 -0.948) 27.722 7.267 ( -4.454 -8.681 -9.493) 13.613 9.322 ( 21.155 -1.769 -1.306) 21.269 10.897 ( 1.455 19.256 -0.814) 19.328 11.242 ( 1.120 -4.189 -3.057) 5.306 13.310 ( 6.585 -7.333 -1.725) 10.005 14.460 ( 9.815 17.628 4.433) 20.657 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -0.000 2.036 0.609) 2.125 2.007 ( -0.000 7.593 2.187) 7.902 2.136 ( 0.000 -0.232 -1.058) 1.083 2.590 ( 0.000 -4.409 -3.356) 5.542 3.916 ( 0.000 3.872 0.277) 3.882 4.529 ( -0.000 -12.963 11.108) 17.071 4.824 ( 0.000 -2.698 -2.033) 3.378 5.168 ( -0.000 1.216 1.703) 2.092 5.433 ( -0.000 -22.499 -0.462) 22.504 6.133 ( -0.000 3.034 3.689) 4.776 6.421 ( -0.000 -7.744 4.451) 8.932 6.473 ( 0.000 -5.979 -3.033) 6.705 6.922 ( 0.000 -22.189 -7.938) 23.566 9.596 ( -0.000 -19.380 -3.974) 19.783 10.840 ( 0.000 5.449 0.222) 5.454 11.326 ( 0.000 6.215 -3.535) 7.150 13.402 ( 0.000 -6.245 -2.242) 6.635 14.687 ( -0.000 2.328 5.098) 5.605 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 7.490 0.958 0.772) 7.590 2.031 ( -1.349 1.746 0.391) 2.240 2.253 ( 9.990 5.992 0.893) 11.684 2.594 ( 6.751 -4.880 -1.410) 8.449 3.956 ( 1.135 2.105 -0.408) 2.426 4.417 ( -1.066 -13.210 10.161) 16.700 4.808 ( 2.609 -2.463 -1.421) 3.858 5.140 ( -6.433 2.768 0.658) 7.034 5.297 ( 9.293 -18.506 -0.965) 20.731 6.153 ( -3.544 4.753 3.283) 6.777 6.395 ( -0.600 -7.444 -8.338) 11.194 6.491 ( 8.615 0.015 12.600) 15.264 6.823 ( 15.383 -16.932 -10.480) 25.163 9.320 ( -11.328 -12.673 -1.952) 17.110 10.982 ( 9.281 5.435 -0.207) 10.757 11.256 ( -13.178 4.338 -2.054) 14.025 13.337 ( -0.891 -5.120 -1.744) 5.482 14.628 ( -10.516 0.970 3.577) 11.150 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 2.041 0.473 0.627) 2.187 2.126 ( 6.356 0.245 -0.011) 6.360 2.553 ( 16.088 7.997 1.438) 18.024 2.715 ( 13.385 -4.751 0.449) 14.210 3.986 ( 0.999 0.303 -0.900) 1.379 4.327 ( -0.890 -8.138 7.268) 10.947 4.865 ( 5.840 -0.509 -0.689) 5.903 5.019 ( -9.574 0.945 0.108) 9.621 5.370 ( 13.149 -7.246 -0.148) 15.014 6.150 ( -3.764 6.216 2.720) 7.759 6.257 ( -2.306 -9.627 -4.552) 10.896 6.757 ( 15.204 3.360 4.695) 16.263 7.026 ( 26.028 -7.384 -6.472) 27.819 9.006 ( -13.230 -6.855 -0.076) 14.901 10.914 ( -28.633 4.399 -0.183) 28.970 11.263 ( 15.622 2.609 -0.920) 15.865 13.260 ( -1.747 -4.309 -1.144) 4.788 14.385 ( -19.285 -0.410 1.994) 19.392 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 4.257 -0.166 0.137) 4.263 2.205 ( 2.611 0.670 0.805) 2.813 2.893 ( 16.553 0.141 1.409) 16.614 2.963 ( 17.716 1.469 1.850) 17.873 3.985 ( -0.115 -0.777 -1.546) 1.734 4.250 ( -4.782 -3.345 3.675) 6.896 4.846 ( -7.758 -2.548 -2.863) 8.653 4.988 ( 6.454 1.658 1.362) 6.801 5.540 ( 8.377 1.201 1.032) 8.525 6.124 ( -1.885 -7.335 -2.497) 7.974 6.182 ( -1.232 8.303 2.464) 8.748 7.009 ( 15.565 -6.377 -4.885) 17.515 7.513 ( 29.942 6.701 1.997) 30.748 8.781 ( -7.250 -0.193 0.544) 7.273 10.350 ( -40.271 0.819 0.801) 40.288 11.564 ( 17.024 0.494 -0.352) 17.034 13.216 ( 0.141 0.517 -0.669) 0.857 14.008 ( -24.054 -1.271 0.647) 24.096 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 3.851 -0.906 -0.746) 4.026 2.240 ( 0.660 0.233 1.892) 2.017 3.143 ( 13.207 -1.461 1.949) 13.430 3.237 ( 12.420 -4.875 2.590) 13.592 3.983 ( 0.631 1.426 -2.563) 3.000 4.119 ( -8.025 0.480 1.329) 8.149 4.688 ( -6.085 -3.225 -3.552) 7.749 5.129 ( 6.984 2.643 0.814) 7.512 5.636 ( 0.622 2.069 0.393) 2.196 6.039 ( -0.899 -4.109 -1.926) 4.626 6.291 ( 2.059 9.362 3.449) 10.188 7.113 ( 6.002 -7.481 -3.785) 10.311 7.939 ( 16.793 -13.701 0.857) 21.690 8.916 ( 12.893 23.379 1.371) 26.734 9.639 ( -41.669 0.639 1.337) 41.695 11.786 ( 11.608 -7.606 0.142) 13.879 13.302 ( 3.770 9.562 0.010) 10.279 13.607 ( -20.199 0.591 -0.596) 20.217 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 0.955 -1.305 -0.502) 1.693 2.247 ( 0.162 -1.332 1.321) 1.883 3.257 ( 0.723 -7.891 2.441) 8.291 3.283 ( 4.064 -9.737 1.886) 10.718 3.895 ( -5.615 -2.647 -0.722) 6.249 4.193 ( 6.277 11.691 -1.390) 13.342 4.560 ( -4.258 -2.267 -3.233) 5.807 5.269 ( 5.267 3.785 1.134) 6.585 5.626 ( -2.139 0.041 -0.377) 2.172 5.990 ( -0.864 -2.322 -1.946) 3.150 6.401 ( -0.122 4.402 3.793) 5.812 7.026 ( -6.214 -8.707 -2.254) 10.932 7.847 ( -0.351 -28.702 0.065) 28.704 8.956 ( -22.514 1.266 1.179) 22.580 9.685 ( 22.438 37.960 1.051) 44.109 11.772 ( -0.273 -14.947 0.214) 14.951 13.245 ( -10.391 -1.136 0.082) 10.453 13.666 ( 9.902 20.973 -0.651) 23.202 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -1.965 -2.186 0.646) 3.009 2.224 ( -0.684 -2.855 -0.393) 2.962 3.122 ( -8.597 -10.789 0.842) 13.821 3.147 ( -3.136 -11.418 1.401) 11.923 3.842 ( -0.143 -0.130 -0.508) 0.544 4.370 ( 1.376 4.405 -0.134) 4.617 4.533 ( 2.838 6.344 -1.380) 7.086 5.377 ( 2.365 3.673 1.494) 4.618 5.583 ( -1.847 -1.431 0.619) 2.417 5.947 ( -0.851 -2.086 -2.115) 3.090 6.373 ( -3.682 -4.642 3.150) 6.710 6.698 ( -13.734 -22.727 -1.493) 26.596 7.498 ( -8.088 -18.473 -0.978) 20.190 8.836 ( 2.838 5.045 0.235) 5.793 10.433 ( 20.757 35.116 0.361) 40.794 11.527 ( -9.073 -16.221 -0.169) 18.587 13.145 ( -0.381 -1.071 -0.315) 1.180 14.080 ( 12.239 22.384 0.337) 25.514 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -3.822 -3.538 0.860) 5.279 2.175 ( -1.040 -2.949 -1.114) 3.319 2.813 ( -16.541 -4.853 1.211) 17.281 3.029 ( 2.907 -13.613 -1.377) 13.987 3.825 ( -3.171 1.312 -0.113) 3.434 4.394 ( 1.710 -0.100 2.659) 3.163 4.682 ( 2.049 10.001 -0.188) 10.211 5.420 ( 0.151 0.653 -1.086) 1.276 5.545 ( -2.238 -0.889 5.113) 5.652 5.916 ( 1.536 -3.742 0.521) 4.079 6.187 ( -9.200 -29.843 2.504) 31.329 6.298 ( 4.241 -13.513 -3.738) 14.648 7.269 ( -5.282 -6.501 -3.376) 9.030 9.052 ( 13.059 7.768 -0.226) 15.197 11.013 ( 10.623 24.701 -0.411) 26.891 11.211 ( -7.672 -13.390 -0.952) 15.462 13.174 ( 3.868 -0.656 -0.603) 3.970 14.473 ( 10.096 17.629 1.484) 20.370 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -0.000 0.497 0.488) 0.697 2.127 ( 0.000 0.043 -0.461) 0.463 2.143 ( -0.000 3.349 3.762) 5.037 2.501 ( -0.000 -2.317 0.316) 2.338 3.962 ( 0.000 1.285 -1.315) 1.839 4.329 ( -0.000 -11.067 8.409) 13.900 4.763 ( 0.000 -1.114 -0.718) 1.325 5.043 ( -0.000 -12.077 0.292) 12.081 5.225 ( 0.000 1.801 -0.397) 1.844 6.287 ( -0.000 10.076 2.957) 10.501 6.300 ( 0.000 -5.615 -13.540) 14.658 6.460 ( -0.000 2.279 14.251) 14.432 6.489 ( 0.000 -16.121 -7.454) 17.761 9.327 ( -0.000 -5.999 -1.003) 6.082 10.922 ( 0.000 2.413 -0.490) 2.462 11.411 ( 0.000 3.278 -0.491) 3.315 13.316 ( 0.000 -1.429 -1.355) 1.969 14.732 ( -0.000 -0.303 2.301) 2.321 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 6.615 -0.429 -0.341) 6.637 2.056 ( -1.819 0.302 2.082) 2.781 2.340 ( 13.898 -1.093 2.028) 14.088 2.544 ( 5.191 2.044 2.848) 6.264 3.967 ( 0.780 -0.490 -2.107) 2.299 4.279 ( 0.305 -4.230 5.690) 7.097 4.786 ( 2.937 0.467 0.200) 2.981 5.104 ( 12.034 1.359 1.761) 12.238 5.169 ( -6.348 -0.647 -1.117) 6.478 6.185 ( -1.540 -6.654 -8.772) 11.118 6.326 ( -6.306 9.675 3.978) 12.215 6.428 ( 12.338 -10.917 -10.724) 19.657 6.715 ( 15.919 8.410 10.721) 20.955 9.200 ( -11.252 1.038 0.442) 11.309 11.034 ( 11.314 -0.055 -0.858) 11.347 11.310 ( -14.630 1.225 0.840) 14.705 13.286 ( -2.530 0.711 -0.863) 2.766 14.637 ( -10.615 -1.587 0.976) 10.777 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 2.465 -1.018 0.416) 2.699 2.139 ( 6.154 0.658 1.314) 6.328 2.559 ( 16.823 -7.565 1.942) 18.548 2.760 ( 12.685 6.525 4.797) 15.050 3.964 ( 0.939 -1.320 -2.722) 3.168 4.276 ( -0.788 -0.072 1.714) 1.888 4.853 ( 2.904 0.043 -1.475) 3.257 5.017 ( -7.283 -1.156 0.104) 7.375 5.408 ( 12.926 9.113 3.173) 16.131 6.082 ( -1.332 -4.811 -3.748) 6.243 6.334 ( -4.866 9.921 2.799) 11.400 6.567 ( 18.978 -8.726 -11.566) 23.876 7.195 ( 23.343 13.088 7.938) 27.915 9.016 ( -13.965 7.737 0.864) 15.988 10.934 ( -28.126 -2.896 1.719) 28.327 11.272 ( 15.309 -1.172 -0.090) 15.354 13.266 ( -1.844 5.415 -0.615) 5.753 14.363 ( -19.162 -2.446 -0.080) 19.317 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 3.992 -1.574 0.112) 4.292 2.221 ( 2.544 -0.084 1.896) 3.174 2.796 ( 19.377 -9.218 2.542) 21.608 3.044 ( 11.687 2.197 5.245) 12.997 3.968 ( 1.852 0.814 -3.836) 4.337 4.230 ( -4.986 -0.375 -0.379) 5.015 4.747 ( -7.209 -4.522 -5.653) 10.216 5.052 ( 5.667 3.848 2.489) 7.288 5.640 ( 3.878 5.773 0.996) 7.026 6.026 ( -1.064 -1.135 -0.975) 1.836 6.382 ( -1.174 9.273 -0.474) 9.359 6.800 ( 18.041 -3.908 -3.558) 18.799 7.658 ( 13.503 2.055 3.216) 14.032 9.015 ( 1.520 22.197 1.325) 22.289 10.329 ( -39.000 -3.732 2.797) 39.278 11.490 ( 13.565 -6.818 0.614) 15.195 13.364 ( 3.133 13.896 -0.555) 14.256 13.974 ( -22.943 -2.114 -0.873) 23.056 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 3.534 -2.384 -0.759) 4.330 2.243 ( 0.201 -1.334 2.537) 2.874 2.981 ( 13.102 -15.872 2.719) 20.760 3.198 ( 5.270 -1.079 4.531) 7.033 3.967 ( -4.854 -2.043 -3.502) 6.324 4.189 ( 3.594 5.620 -0.458) 6.686 4.585 ( -4.302 -3.514 -6.973) 8.915 5.207 ( 6.405 4.520 1.465) 7.975 5.670 ( -2.350 0.258 -1.175) 2.640 6.006 ( -2.045 1.748 -0.111) 2.692 6.443 ( 0.355 4.365 -4.010) 5.938 7.010 ( 4.646 0.964 4.779) 6.735 7.631 ( -4.218 -15.823 -0.385) 16.381 9.393 ( -8.609 13.107 2.186) 15.834 9.788 ( -7.459 20.674 2.602) 22.132 11.567 ( 6.241 -13.001 1.154) 14.468 13.505 ( -14.807 4.383 1.511) 15.516 13.720 ( 3.654 16.355 -3.307) 17.081 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 1.336 -3.691 -1.325) 4.143 2.223 ( -1.333 -2.277 2.309) 3.506 2.933 ( 3.866 -19.725 1.309) 20.143 3.224 ( -3.706 -3.464 3.016) 5.902 3.833 ( -2.275 -3.628 -1.215) 4.451 4.379 ( 4.969 6.909 -2.030) 8.749 4.510 ( 2.419 0.897 -4.402) 5.102 5.348 ( 4.765 3.557 0.717) 5.989 5.604 ( -2.671 -2.061 -2.886) 4.440 5.974 ( -3.757 1.505 0.203) 4.053 6.422 ( -4.279 -0.757 -2.915) 5.233 6.836 ( -21.806 -11.348 -0.248) 24.583 7.412 ( -2.220 -15.622 6.267) 16.978 9.059 ( -18.424 8.906 0.628) 20.473 10.400 ( 22.607 32.962 1.735) 40.007 11.456 ( -2.488 -16.238 1.091) 16.464 13.261 ( -11.731 1.890 0.622) 11.898 14.090 ( 11.989 22.186 -2.176) 25.312 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -0.000 -0.991 0.272) 1.028 2.135 ( -0.000 0.752 0.246) 0.791 2.144 ( -0.000 -5.475 3.833) 6.683 2.553 ( -0.000 5.304 5.285) 7.488 3.938 ( 0.000 -1.905 -3.172) 3.700 4.289 ( -0.000 2.441 3.826) 4.539 4.785 ( -0.000 2.808 1.694) 3.280 5.061 ( 0.000 12.853 2.145) 13.031 5.204 ( 0.000 -2.876 -2.399) 3.746 6.134 ( 0.000 0.231 -15.509) 15.511 6.182 ( 0.000 -8.799 -7.004) 11.246 6.593 ( 0.000 17.857 2.480) 18.028 6.609 ( -0.000 1.686 14.443) 14.542 9.357 ( 0.000 8.635 1.744) 8.809 10.914 ( 0.000 -2.603 -1.301) 2.911 11.439 ( -0.000 -0.864 2.160) 2.326 13.325 ( 0.000 2.865 -0.559) 2.919 14.707 ( -0.000 -2.916 -0.009) 2.916 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 5.202 -1.817 -0.691) 5.554 2.067 ( 1.389 -1.597 3.453) 4.050 2.259 ( 10.305 -5.846 1.513) 11.944 2.685 ( 6.258 6.603 7.283) 11.654 3.914 ( 1.131 -2.422 -4.053) 4.855 4.323 ( -1.768 4.911 0.092) 5.221 4.830 ( 1.065 2.754 1.196) 3.185 5.107 ( -5.650 -3.388 -2.375) 7.003 5.342 ( 10.419 17.808 3.231) 20.884 6.060 ( -1.393 -0.845 -5.698) 5.927 6.233 ( 10.841 2.047 -12.436) 16.624 6.545 ( -7.339 7.505 5.875) 12.029 6.997 ( 18.046 14.073 6.860) 23.891 9.363 ( -12.511 14.482 2.096) 19.253 10.973 ( 9.710 -5.053 -1.070) 10.999 11.318 ( -12.877 -1.500 3.741) 13.492 13.350 ( -1.084 6.200 -0.603) 6.323 14.583 ( -10.374 -3.938 -0.645) 11.115 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 3.334 -3.243 0.313) 4.662 2.164 ( 5.680 0.487 2.032) 6.053 2.400 ( 15.628 -9.883 2.449) 18.652 2.911 ( 9.942 4.042 7.737) 13.231 3.908 ( 2.819 -1.844 -4.960) 5.996 4.304 ( -4.366 2.148 -2.981) 5.707 4.791 ( -5.642 -6.143 -4.268) 9.369 5.051 ( 0.810 5.828 1.688) 6.121 5.628 ( 5.299 8.020 0.575) 9.629 6.045 ( -0.269 2.960 -1.664) 3.407 6.431 ( 4.746 5.136 -6.126) 9.297 6.606 ( 6.932 14.029 2.303) 15.817 7.467 ( 17.502 10.285 3.827) 20.658 9.313 ( -10.726 21.211 1.680) 23.828 10.832 ( -23.196 -8.607 3.066) 24.931 11.253 ( 7.989 -0.289 2.183) 8.287 13.445 ( 2.731 12.892 -1.184) 13.231 14.294 ( -18.260 -4.234 -0.848) 18.763 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 4.254 -3.992 -0.028) 5.834 2.228 ( 1.441 -0.652 2.436) 2.904 2.584 ( 16.722 -14.194 2.593) 22.087 3.102 ( 7.295 -0.374 6.420) 9.725 3.953 ( 4.062 0.211 -5.745) 7.039 4.207 ( -4.347 -1.682 -1.052) 4.778 4.594 ( -5.398 -6.487 -7.721) 11.438 5.178 ( 4.047 7.642 1.108) 8.718 5.689 ( -0.886 -0.099 -1.883) 2.083 6.084 ( -1.204 6.971 -0.374) 7.084 6.456 ( -0.627 2.930 -6.002) 6.709 6.974 ( 10.709 16.445 7.999) 21.192 7.636 ( -4.555 -3.333 -0.763) 5.696 9.542 ( 6.944 26.999 2.018) 27.950 10.284 ( -30.775 -1.462 4.378) 31.119 11.374 ( 6.074 -4.673 2.508) 8.064 13.690 ( 6.430 18.478 -0.675) 19.576 13.920 ( -19.015 -2.009 -2.086) 19.234 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 3.392 -4.771 -0.893) 5.922 2.229 ( -0.671 -1.901 2.656) 3.335 2.638 ( 8.516 -20.078 1.852) 21.888 3.208 ( 4.009 -1.168 3.607) 5.518 3.862 ( -7.186 -6.022 -3.063) 9.863 4.290 ( 11.123 4.149 0.426) 11.879 4.464 ( -1.019 -3.504 -8.654) 9.392 5.315 ( 4.014 5.779 -1.542) 7.203 5.627 ( -3.844 -1.513 -2.241) 4.700 6.102 ( -5.472 7.113 -0.214) 8.977 6.455 ( -0.321 2.436 -6.022) 6.504 7.163 ( -16.591 5.141 6.376) 18.502 7.365 ( -6.830 -9.490 3.370) 12.168 9.530 ( -25.186 6.200 2.264) 26.037 10.349 ( 17.940 27.715 2.617) 33.119 11.362 ( -1.099 -8.053 2.859) 8.616 13.533 ( -18.024 -0.494 1.584) 18.100 14.091 ( 11.788 21.230 -4.634) 24.721 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -0.000 -2.581 -0.170) 2.586 2.022 ( -0.000 -9.030 3.765) 9.783 2.155 ( -0.000 0.741 0.717) 1.031 2.721 ( -0.000 5.812 9.033) 10.742 3.858 ( 0.000 -3.872 -5.049) 6.363 4.402 ( 0.000 6.555 -1.975) 6.846 4.849 ( -0.000 -0.164 0.548) 0.572 5.124 ( 0.000 -0.420 -2.346) 2.383 5.453 ( 0.000 20.338 1.595) 20.401 6.044 ( 0.000 -1.448 -4.701) 4.919 6.206 ( 0.000 20.053 -10.907) 22.827 6.669 ( -0.000 -4.821 10.446) 11.505 7.015 ( 0.000 23.782 1.135) 23.809 9.669 ( 0.000 21.046 2.925) 21.248 10.822 ( 0.000 -5.093 -1.463) 5.299 11.422 ( -0.000 -2.707 5.537) 6.164 13.417 ( 0.000 7.052 -0.927) 7.113 14.624 ( -0.000 -5.161 -0.739) 5.213 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 3.646 -4.459 -0.349) 5.771 2.001 ( 8.725 -7.733 3.437) 12.155 2.193 ( 3.467 -1.618 1.015) 3.958 2.846 ( 5.300 3.042 9.619) 11.396 3.812 ( 2.237 -5.281 -5.520) 7.959 4.404 ( -4.769 3.842 -4.735) 7.741 4.781 ( -3.151 -8.701 -3.532) 9.905 5.135 ( -1.549 8.925 0.035) 9.058 5.646 ( 2.389 9.478 0.068) 9.774 6.051 ( 1.956 2.343 -2.166) 3.743 6.475 ( 2.273 23.465 -5.559) 24.221 6.653 ( 3.507 4.837 4.747) 7.631 7.360 ( 11.286 20.196 1.707) 23.199 9.759 ( -13.939 23.411 1.976) 27.318 10.853 ( 5.693 -5.908 -0.318) 8.211 11.334 ( -8.765 0.657 7.337) 11.450 13.511 ( 2.408 11.022 -1.983) 11.455 14.483 ( -9.904 -5.850 -0.238) 11.506 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 4.283 -6.886 0.780) 8.147 2.153 ( 12.863 -5.901 1.450) 14.226 2.232 ( 5.058 -5.892 1.784) 7.967 2.992 ( 7.139 -2.006 7.920) 10.849 3.818 ( 6.700 -4.196 -4.833) 9.266 4.290 ( -7.878 -1.249 -4.468) 9.142 4.582 ( -5.489 -10.384 -6.648) 13.497 5.233 ( 0.376 11.064 0.026) 11.071 5.707 ( -0.781 2.381 -1.127) 2.747 6.132 ( 3.088 5.409 -0.096) 6.229 6.500 ( -2.628 0.258 -3.243) 4.182 7.033 ( 9.242 27.944 3.631) 29.656 7.676 ( 3.407 11.243 0.172) 11.749 9.801 ( -6.665 25.844 1.242) 26.718 10.684 ( -17.854 -7.500 3.549) 19.688 11.330 ( 0.430 6.188 5.967) 8.607 13.726 ( 8.111 17.011 -3.574) 19.182 14.194 ( -16.941 -5.638 0.467) 17.861 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 5.310 -7.204 0.103) 8.950 2.222 ( 0.265 -2.299 2.272) 3.243 2.288 ( 11.579 -16.553 0.996) 20.226 3.099 ( 7.385 -3.974 3.927) 9.260 3.873 ( 1.487 -5.418 -4.118) 6.966 4.161 ( 1.531 -2.895 1.060) 3.442 4.409 ( -1.484 -5.884 -8.949) 10.812 5.330 ( 0.294 7.162 -1.864) 7.406 5.689 ( -2.866 2.347 -0.994) 3.835 6.231 ( 0.156 6.545 -0.222) 6.551 6.451 ( -0.241 -0.298 -5.287) 5.301 7.378 ( 1.105 16.719 8.180) 18.645 7.610 ( -19.152 4.169 -1.144) 19.634 9.954 ( -11.832 13.326 2.196) 17.956 10.417 ( -2.774 12.347 3.238) 13.062 11.390 ( -3.122 4.483 5.448) 7.715 13.835 ( -18.846 -3.986 2.906) 19.481 14.073 ( 11.824 19.872 -6.980) 24.154 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -0.000 -4.428 -0.866) 4.511 1.847 ( -0.000 -11.411 3.094) 11.823 2.165 ( -0.000 -0.382 0.789) 0.877 2.848 ( -0.000 -0.940 10.030) 10.073 3.704 ( 0.000 -8.532 -5.057) 9.918 4.464 ( 0.000 2.002 -6.534) 6.833 4.699 ( 0.000 -11.123 -4.224) 11.898 5.259 ( 0.000 13.203 -0.745) 13.224 5.717 ( 0.000 7.028 -0.041) 7.028 6.044 ( 0.000 2.935 -2.165) 3.647 6.524 ( -0.000 -12.794 4.112) 13.438 6.832 ( 0.000 42.697 -2.929) 42.798 7.505 ( 0.000 25.332 0.147) 25.333 10.153 ( 0.000 25.040 1.413) 25.080 10.735 ( 0.000 -2.040 -0.817) 2.198 11.452 ( -0.000 2.015 10.011) 10.212 13.583 ( 0.000 11.414 -3.391) 11.907 14.506 ( -0.000 -6.906 1.135) 6.998 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 3.109 -11.486 1.681) 12.018 1.856 ( 9.917 -7.437 -0.673) 12.414 2.177 ( 1.747 -1.327 0.943) 2.388 2.876 ( 4.326 -7.503 8.106) 11.862 3.636 ( 4.793 -9.582 -2.998) 11.125 4.388 ( -6.023 -1.510 -8.147) 10.243 4.535 ( -4.413 -11.259 -4.701) 12.974 5.377 ( -2.199 14.918 -1.111) 15.120 5.746 ( -1.275 1.264 -0.201) 1.806 6.106 ( 3.905 3.069 -0.505) 4.992 6.424 ( 3.425 -13.948 1.403) 14.430 7.286 ( 2.329 43.084 -1.177) 43.163 7.779 ( 3.045 21.475 0.028) 21.690 10.229 ( -13.554 22.574 0.122) 26.331 10.771 ( -0.137 -1.949 0.858) 2.134 11.493 ( -4.101 10.359 10.926) 15.605 13.742 ( 5.990 15.066 -5.770) 17.209 14.362 ( -9.351 -7.347 2.996) 12.264 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 6.618 -12.359 0.918) 14.050 1.951 ( 10.881 -12.051 -0.845) 16.259 2.194 ( 1.621 -2.018 1.277) 2.886 2.906 ( 8.346 -11.259 3.979) 14.569 3.666 ( 10.135 -10.398 -0.975) 14.553 4.204 ( -8.478 -4.099 -4.518) 10.445 4.350 ( -2.641 -7.471 -6.236) 10.084 5.449 ( -4.559 10.778 0.239) 11.705 5.725 ( -0.119 -1.142 -1.086) 1.580 6.211 ( 5.428 1.781 -0.957) 5.792 6.374 ( 3.981 -9.249 -1.727) 10.217 7.658 ( -4.040 32.270 2.573) 32.623 7.935 ( -7.985 15.192 -0.267) 17.165 10.266 ( -7.678 20.453 0.475) 21.851 10.636 ( -11.269 1.343 2.917) 11.718 11.585 ( -5.358 14.487 9.046) 17.900 14.035 ( 11.230 18.495 -9.876) 23.785 14.089 ( -15.330 -6.824 5.691) 17.719 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -0.000 -14.602 0.768) 14.622 1.698 ( -0.000 -7.415 -1.781) 7.626 2.148 ( -0.000 -1.731 0.559) 1.820 2.750 ( -0.000 -15.866 6.422) 17.117 3.473 ( -0.000 -13.636 -0.306) 13.639 4.358 ( 0.000 -6.758 -9.486) 11.647 4.495 ( 0.000 -5.290 -4.498) 6.944 5.564 ( 0.000 18.608 -1.827) 18.697 5.737 ( 0.000 -5.674 -2.858) 6.353 6.084 ( 0.000 1.077 -1.673) 1.989 6.218 ( -0.000 -19.330 6.385) 20.357 7.720 ( 0.000 47.546 -2.647) 47.620 7.971 ( 0.000 21.758 0.132) 21.759 10.579 ( 0.000 17.507 -0.450) 17.512 10.761 ( 0.000 5.212 0.114) 5.213 11.689 ( -0.000 14.831 13.080) 19.775 13.808 ( 0.000 15.412 -8.544) 17.622 14.379 ( -0.000 -8.437 6.168) 10.451 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 4.322 -16.745 -0.469) 17.300 1.684 ( 7.860 -9.896 -2.122) 12.815 2.145 ( 1.565 -2.492 0.575) 2.998 2.631 ( 6.502 -21.268 3.701) 22.545 3.381 ( 6.885 -17.180 1.257) 18.551 4.247 ( -2.800 -4.224 -9.260) 10.556 4.353 ( -7.509 -5.610 -3.378) 9.963 5.639 ( 1.408 -12.517 -3.400) 13.047 5.684 ( -6.067 16.265 0.335) 17.363 6.113 ( 4.460 -2.386 -2.796) 5.779 6.149 ( 8.099 -13.349 4.925) 16.372 8.097 ( -5.482 32.969 0.992) 33.436 8.189 ( -1.137 26.671 -1.835) 26.758 10.615 ( -10.041 17.593 -0.293) 20.259 10.808 ( -4.780 5.111 1.648) 7.189 11.871 ( -3.902 19.305 11.896) 23.009 14.003 ( 8.156 17.366 -12.444) 22.868 14.244 ( -8.765 -8.747 9.202) 15.428 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -0.000 -18.643 -2.932) 18.872 1.490 ( -0.000 -12.908 -2.857) 13.220 2.108 ( -0.000 -2.601 0.243) 2.612 2.329 ( -0.000 -29.628 3.614) 29.848 3.130 ( -0.000 -22.610 1.870) 22.688 4.206 ( 0.000 -2.229 -6.136) 6.528 4.375 ( 0.000 -3.846 -6.261) 7.348 5.418 ( 0.000 -20.515 -9.235) 22.498 5.937 ( -0.000 -16.643 11.740) 20.367 5.957 ( 0.000 22.591 -1.118) 22.619 6.016 ( 0.000 -7.147 -3.207) 7.834 8.331 ( 0.000 14.622 0.683) 14.638 8.587 ( 0.000 42.116 -2.055) 42.166 10.863 ( 0.000 13.030 0.701) 13.049 10.928 ( 0.000 10.904 0.730) 10.928 12.148 ( -0.000 21.813 12.201) 24.994 14.043 ( 0.000 15.547 -15.505) 21.957 14.269 ( -0.000 -8.778 13.238) 15.883 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -0.000 0.000 18.811) 18.811 0.394 ( -0.000 0.000 18.811) 18.811 0.694 ( -0.000 0.000 33.976) 33.976 1.986 ( 0.000 -0.000 -0.586) 0.586 1.986 ( 0.000 -0.000 -0.586) 0.586 4.175 ( -0.000 0.000 0.743) 0.743 4.566 ( -0.000 0.000 3.224) 3.224 4.566 ( 0.000 0.000 3.224) 3.224 5.276 ( 0.000 -0.000 -2.862) 2.862 5.276 ( 0.000 -0.000 -2.862) 2.862 6.917 ( 0.000 -0.000 -1.055) 1.055 8.724 ( -0.000 0.000 3.201) 3.201 9.949 ( -0.000 0.000 1.624) 1.624 9.949 ( -0.000 0.000 1.624) 1.624 11.383 ( 0.000 -0.000 -1.598) 1.598 11.383 ( 0.000 -0.000 -1.598) 1.598 13.254 ( 0.000 -0.000 -1.626) 1.626 16.216 ( -0.000 0.000 0.145) 0.145 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 19.508 11.263 8.560) 24.098 0.710 ( 8.425 4.864 20.107) 22.336 1.153 ( 30.439 17.574 15.960) 38.601 2.001 ( 1.523 0.879 -0.662) 1.879 2.197 ( 17.325 10.002 0.506) 20.011 4.184 ( 0.653 0.377 0.200) 0.780 4.364 ( -14.067 -8.122 9.611) 18.874 4.598 ( 5.494 3.172 0.468) 6.361 5.268 ( 6.265 3.617 -10.211) 12.514 5.474 ( 13.733 7.929 0.216) 15.859 6.893 ( -6.987 -4.034 5.797) 9.934 8.515 ( -5.738 -3.313 -5.957) 8.910 9.786 ( -14.669 -8.469 1.724) 17.026 11.264 ( 10.727 6.193 -18.151) 21.975 11.319 ( -5.382 -3.107 -1.541) 6.403 11.411 ( 41.312 23.851 -41.877) 63.476 13.324 ( 7.794 4.500 -3.493) 9.654 15.755 ( -28.490 -16.449 23.369) 40.353 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 12.568 7.256 12.608) 19.224 1.135 ( 17.170 9.913 3.586) 20.148 1.902 ( 30.875 17.826 7.210) 36.373 2.043 ( 2.214 1.278 -0.773) 2.671 2.688 ( 24.303 14.031 2.427) 28.167 4.131 ( -8.399 -4.849 3.888) 10.449 4.209 ( 1.436 0.829 -0.285) 1.682 4.808 ( 12.987 7.498 -1.971) 15.126 5.387 ( 6.077 3.508 -14.048) 15.703 5.856 ( 18.799 10.854 2.449) 21.845 6.718 ( -9.350 -5.399 14.675) 18.219 8.352 ( -7.859 -4.537 -11.566) 14.701 9.313 ( -27.533 -15.896 1.914) 31.850 11.083 ( -11.534 -6.659 -2.812) 13.612 11.144 ( -9.311 -5.376 -1.377) 10.840 11.846 ( 6.361 3.672 -35.982) 36.724 13.530 ( 9.087 5.246 -6.714) 12.457 15.311 ( -17.850 -10.306 22.278) 30.350 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 14.628 8.445 5.864) 17.880 1.464 ( 11.485 6.631 1.959) 13.406 2.089 ( 2.053 1.185 -0.973) 2.562 2.542 ( 24.076 13.900 2.120) 27.882 3.236 ( 21.840 12.609 3.565) 25.469 4.001 ( -3.668 -2.118 1.989) 4.679 4.265 ( 4.025 2.324 -0.627) 4.690 5.140 ( 16.560 9.561 -3.777) 19.492 5.420 ( 0.927 0.535 -9.303) 9.364 6.278 ( 16.618 9.594 3.593) 19.522 6.612 ( -5.506 -3.179 18.047) 19.135 8.047 ( -15.915 -9.188 -13.634) 22.882 8.587 ( -37.023 -21.375 2.146) 42.804 10.771 ( -15.107 -8.722 -3.420) 17.776 10.920 ( -9.502 -5.486 -1.050) 11.022 11.715 ( -6.194 -3.576 -21.203) 22.377 13.609 ( -0.685 -0.395 -3.324) 3.417 15.079 ( -8.753 -5.053 13.968) 17.241 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 7.399 4.272 1.354) 8.650 1.683 ( 14.699 8.486 1.635) 17.051 2.124 ( 1.270 0.733 -1.198) 1.894 2.973 ( 13.839 7.990 -2.796) 16.223 3.550 ( 3.277 1.892 1.836) 4.205 4.084 ( 12.248 7.071 4.797) 14.934 4.387 ( 6.258 3.613 1.299) 7.342 5.418 ( 1.178 0.680 0.044) 1.361 5.477 ( 13.286 7.671 -3.789) 15.802 6.537 ( -7.284 -4.205 16.472) 18.495 6.575 ( 7.945 4.587 2.302) 9.458 7.550 ( -23.611 -13.632 -15.258) 31.242 7.712 ( -39.971 -23.077 2.759) 46.237 10.386 ( -17.987 -10.385 -4.283) 21.207 10.747 ( -5.001 -2.887 -0.461) 5.793 11.522 ( -4.607 -2.660 -13.686) 14.684 13.510 ( -6.421 -3.707 -0.672) 7.445 14.981 ( -3.828 -2.210 7.762) 8.932 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 5.111 2.951 0.978) 5.983 2.007 ( 14.051 8.112 -0.940) 16.252 2.136 ( 0.138 0.080 -1.287) 1.297 3.101 ( -1.152 -0.665 -7.677) 7.791 3.588 ( 3.221 1.859 3.655) 5.215 4.438 ( 13.818 7.978 6.322) 17.163 4.524 ( 5.189 2.996 3.006) 6.704 5.488 ( 4.048 2.337 5.835) 7.476 5.647 ( 1.230 0.710 -1.036) 1.758 6.373 ( -11.526 -6.654 12.681) 18.383 6.521 ( -19.801 -11.432 -2.069) 22.957 6.924 ( -26.317 -15.194 -15.594) 34.156 7.016 ( -13.172 -7.605 3.462) 15.599 9.954 ( -18.411 -10.630 -4.364) 21.703 10.704 ( 0.989 0.571 0.416) 1.216 11.436 ( 0.029 0.017 -8.906) 8.906 13.361 ( -6.033 -3.483 -0.092) 6.967 14.935 ( -2.313 -1.335 4.186) 4.965 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 3.386 1.955 0.440) 3.935 2.124 ( -0.673 -0.389 -1.006) 1.271 2.305 ( 12.909 7.453 -2.726) 15.153 2.952 ( -7.973 -4.603 -7.922) 12.146 3.714 ( 5.733 3.310 2.854) 7.209 4.560 ( -0.721 -0.416 5.017) 5.086 4.745 ( 8.986 5.188 4.182) 11.187 5.497 ( -13.239 -7.643 -2.141) 15.436 5.599 ( 2.233 1.289 3.807) 4.598 5.947 ( -22.350 -12.904 5.358) 26.358 6.121 ( -12.063 -6.964 3.071) 14.263 6.357 ( -18.092 -10.445 -5.986) 21.731 6.999 ( 4.386 2.532 -3.909) 6.398 9.573 ( -13.418 -7.747 -3.427) 15.869 10.766 ( 3.368 1.944 1.285) 4.096 11.444 ( 2.235 1.290 -5.150) 5.761 13.258 ( -2.995 -1.729 0.158) 3.462 14.896 ( -2.127 -1.228 1.673) 2.972 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.873 0.504 -0.492) 1.122 2.112 ( 0.073 0.042 -0.129) 0.154 2.561 ( 10.280 5.935 -5.187) 12.953 2.734 ( -8.279 -4.780 -6.728) 11.689 3.828 ( 2.994 1.729 1.629) 3.822 4.513 ( -4.094 -2.363 3.083) 5.643 4.884 ( 2.479 1.431 2.685) 3.925 5.209 ( -6.585 -3.802 -6.496) 10.000 5.481 ( -9.115 -5.263 -13.273) 16.940 5.625 ( -9.979 -5.761 11.670) 16.400 5.983 ( -4.186 -2.417 5.562) 7.369 6.161 ( 2.489 1.437 7.393) 7.932 7.077 ( 3.151 1.819 -6.834) 7.743 9.365 ( -3.725 -2.151 -1.867) 4.689 10.831 ( 1.479 0.854 1.783) 2.469 11.484 ( 2.226 1.285 -2.275) 3.433 13.227 ( -0.093 -0.054 0.856) 0.863 14.848 ( -2.298 -1.327 -0.622) 2.726 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -1.684 -0.972 -0.940) 2.160 2.130 ( 1.272 0.734 0.482) 1.545 2.470 ( -9.720 -5.612 -8.552) 14.111 2.803 ( 9.552 5.515 -4.202) 11.804 3.827 ( -3.673 -2.121 1.504) 4.500 4.442 ( -1.656 -0.956 -0.849) 2.092 4.891 ( -2.271 -1.311 2.218) 3.435 5.246 ( 11.099 6.408 -7.108) 14.655 5.273 ( -4.626 -2.671 -13.106) 14.152 5.577 ( 3.325 1.920 11.845) 12.452 5.921 ( -1.182 -0.682 3.312) 3.583 6.422 ( 15.300 8.834 10.982) 20.803 7.070 ( -1.975 -1.140 -7.059) 7.418 9.406 ( 7.685 4.437 -0.221) 8.876 10.832 ( -1.895 -1.094 1.819) 2.846 11.521 ( 1.417 0.818 -0.923) 1.879 13.255 ( 2.116 1.222 1.997) 3.156 14.788 ( -2.576 -1.487 -2.988) 4.216 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -3.268 -1.887 -0.476) 3.803 2.160 ( 1.037 0.599 0.399) 1.262 2.212 ( -10.903 -6.295 -6.888) 14.350 2.985 ( 7.562 4.366 -6.385) 10.817 3.710 ( -6.201 -3.580 3.321) 7.893 4.422 ( -0.602 -0.347 -1.869) 1.994 4.790 ( -7.830 -4.520 4.674) 10.178 5.195 ( 1.116 0.644 -8.966) 9.059 5.514 ( 11.124 6.422 -1.894) 12.984 5.943 ( 26.960 15.565 5.948) 31.693 5.957 ( 3.452 1.993 0.049) 3.986 6.880 ( 21.780 12.574 10.094) 27.099 6.937 ( -7.724 -4.459 -6.658) 11.130 9.694 ( 17.101 9.873 1.386) 19.795 10.771 ( -3.481 -2.010 1.487) 4.286 11.545 ( 1.360 0.785 -1.489) 2.164 13.336 ( 4.414 2.548 3.473) 6.167 14.712 ( -2.984 -1.723 -5.572) 6.551 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -4.656 -2.688 0.370) 5.390 1.932 ( -12.406 -7.163 -4.592) 15.044 2.171 ( -0.212 -0.123 0.146) 0.285 3.041 ( -2.027 -1.170 -8.656) 8.967 3.607 ( -4.139 -2.390 4.206) 6.367 4.370 ( -4.534 -2.618 2.747) 5.913 4.601 ( -9.246 -5.338 5.303) 11.921 5.272 ( 7.673 4.430 -2.446) 9.191 5.703 ( 4.961 2.864 1.233) 5.860 6.048 ( 4.270 2.465 -2.731) 5.636 6.581 ( 2.502 1.445 -0.696) 2.972 6.827 ( 23.995 13.853 -2.944) 27.863 7.431 ( 23.766 13.721 7.423) 28.428 10.138 ( 20.437 11.800 2.851) 23.771 10.717 ( -0.926 -0.535 0.886) 1.389 11.598 ( 4.960 2.864 -3.621) 6.776 13.481 ( 7.333 4.234 5.661) 10.185 14.614 ( -3.793 -2.190 -8.592) 9.644 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -14.341 -8.280 -1.522) 16.629 1.682 ( -6.913 -3.991 1.434) 8.110 2.151 ( -1.493 -0.862 -0.090) 1.726 2.813 ( -15.485 -8.940 -6.436) 19.003 3.479 ( -9.919 -5.727 -1.434) 11.543 4.260 ( -5.707 -3.295 10.031) 12.002 4.453 ( -5.278 -3.047 3.949) 7.262 5.532 ( 15.188 8.769 4.177) 18.028 5.694 ( -7.507 -4.334 5.450) 10.240 6.096 ( 0.339 0.196 -3.946) 3.966 6.297 ( -14.540 -8.394 -9.043) 19.069 7.697 ( 41.157 23.762 1.991) 47.565 7.953 ( 20.160 11.639 3.769) 23.581 10.565 ( 15.783 9.112 2.419) 18.384 10.761 ( 4.913 2.837 0.081) 5.674 11.788 ( 13.969 8.065 -6.356) 17.337 13.710 ( 10.914 6.301 10.154) 16.184 14.476 ( -5.646 -3.260 -12.431) 14.037 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -0.000 19.859 13.872) 24.224 0.853 ( -0.000 22.377 10.744) 24.823 1.073 ( -0.000 21.536 19.745) 29.218 2.000 ( 0.000 1.846 -0.784) 2.005 2.196 ( 0.000 19.709 0.580) 19.718 4.184 ( 0.000 0.584 -0.094) 0.591 4.425 ( -0.000 -4.796 3.766) 6.098 4.786 ( -0.000 15.072 7.321) 16.756 5.257 ( 0.000 5.645 -7.315) 9.240 5.411 ( 0.000 12.537 -4.210) 13.225 6.901 ( -0.000 -7.714 5.194) 9.299 8.497 ( 0.000 -7.982 -5.431) 9.654 9.804 ( -0.000 -16.226 2.207) 16.376 11.032 ( 0.000 31.524 -30.003) 43.520 11.301 ( 0.000 -6.706 -2.022) 7.004 11.467 ( 0.000 28.064 -19.650) 34.260 13.316 ( 0.000 9.064 -3.424) 9.689 15.773 ( -0.000 -36.558 19.437) 41.404 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 2.146 11.559 15.235) 19.244 1.127 ( 5.667 22.141 5.635) 23.539 1.637 ( 24.369 23.424 7.526) 34.630 2.034 ( 1.503 2.739 -0.831) 3.233 2.537 ( 13.983 22.000 2.276) 26.167 4.196 ( 0.531 1.238 -0.478) 1.429 4.310 ( -11.078 -1.205 6.036) 12.673 4.904 ( -4.599 22.324 3.939) 23.130 5.325 ( 3.058 9.419 -12.757) 16.150 5.670 ( 15.052 11.078 -2.419) 18.845 6.789 ( -3.957 -11.922 12.944) 18.037 8.376 ( -4.180 -4.509 -11.145) 12.729 9.497 ( -14.316 -22.472 2.337) 26.747 11.081 ( -0.455 -10.452 -6.724) 12.437 11.163 ( -5.685 -9.494 -1.991) 11.244 11.740 ( 5.162 19.661 -33.472) 39.161 13.473 ( 5.837 13.708 -6.496) 16.254 15.409 ( -8.390 -29.932 21.136) 37.590 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 8.888 11.152 8.571) 16.638 1.437 ( 6.493 16.205 3.175) 17.744 2.072 ( 2.332 2.667 -0.858) 3.645 2.285 ( 23.521 17.216 1.338) 29.179 3.047 ( 19.551 19.382 3.882) 27.802 4.132 ( -10.963 1.251 5.300) 12.241 4.233 ( 1.988 2.623 -0.026) 3.292 5.123 ( 3.127 22.338 -0.406) 22.559 5.401 ( 1.039 6.774 -11.711) 13.569 6.063 ( 19.257 8.323 -0.236) 20.980 6.678 ( -2.442 -9.361 18.421) 20.807 8.158 ( -11.234 -6.632 -13.675) 18.899 8.920 ( -26.745 -25.336 2.506) 36.925 10.844 ( -9.824 -14.955 -3.149) 18.168 10.956 ( -5.212 -10.786 -2.175) 12.175 11.721 ( -5.005 0.208 -22.759) 23.304 13.642 ( 0.797 9.554 -5.174) 10.894 15.108 ( -4.433 -21.376 15.371) 26.699 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 11.654 10.385 3.239) 15.942 1.674 ( 4.157 12.686 1.945) 13.490 2.117 ( 0.972 2.213 -1.292) 2.740 2.775 ( 18.196 9.898 -3.340) 20.981 3.517 ( 11.696 13.294 3.549) 18.059 4.041 ( -1.043 3.145 4.904) 5.919 4.329 ( 4.785 4.447 2.469) 6.983 5.373 ( 4.441 8.270 -1.442) 9.497 5.464 ( 2.646 13.257 -4.522) 14.255 6.413 ( 13.718 2.084 1.000) 13.911 6.629 ( -1.880 -6.968 17.807) 19.214 7.765 ( -20.170 -9.727 -15.160) 27.042 8.156 ( -35.662 -23.203 2.732) 42.633 10.474 ( -13.397 -17.745 -2.855) 22.417 10.791 ( -2.633 -6.724 -1.684) 7.415 11.517 ( -6.531 -5.418 -15.618) 17.774 13.630 ( -7.844 3.683 -1.241) 8.754 14.944 ( 0.939 -15.367 8.408) 17.542 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 4.621 7.802 1.734) 9.232 1.889 ( 9.346 12.711 -0.799) 15.797 2.141 ( 0.190 1.854 -1.494) 2.389 3.042 ( 7.332 3.148 -7.789) 11.151 3.642 ( -3.686 6.253 3.535) 8.074 4.274 ( 15.903 6.773 6.615) 18.508 4.474 ( 5.150 3.808 4.934) 8.086 5.462 ( 3.395 2.269 3.452) 5.347 5.649 ( 2.570 8.213 -2.181) 8.877 6.452 ( -5.068 -10.403 9.280) 14.833 6.629 ( -0.521 -2.711 4.138) 4.974 7.223 ( -25.577 -8.359 -15.556) 31.082 7.356 ( -35.351 -14.141 3.423) 38.228 10.046 ( -14.233 -19.389 -2.969) 24.234 10.744 ( 0.519 1.441 -0.794) 1.725 11.345 ( -0.391 -7.445 -10.944) 13.242 13.483 ( -10.511 0.444 0.512) 10.533 14.872 ( 3.376 -12.399 4.017) 13.464 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 0.941 7.304 1.176) 7.458 2.109 ( 2.528 1.524 -2.417) 3.814 2.216 ( 7.566 11.571 -2.195) 13.999 3.032 ( -5.650 0.430 -9.285) 10.877 3.693 ( 1.848 5.192 4.431) 7.072 4.574 ( 1.095 0.899 6.300) 6.457 4.606 ( 13.769 3.096 5.509) 15.150 5.545 ( 0.762 -3.556 0.646) 3.694 5.630 ( -4.737 -1.420 2.382) 5.490 6.219 ( -12.785 -8.307 4.466) 15.887 6.376 ( -23.069 -4.255 -0.796) 23.471 6.645 ( -28.642 -4.517 -3.029) 29.154 6.986 ( -2.804 1.731 -3.636) 4.907 9.628 ( -11.408 -18.240 -2.766) 21.691 10.813 ( 1.028 8.695 0.411) 8.765 11.292 ( 6.797 -9.298 -6.989) 13.472 13.325 ( -7.428 -1.155 0.772) 7.556 14.827 ( 3.626 -11.401 1.561) 12.065 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -1.031 5.695 0.195) 5.791 2.113 ( -0.058 0.423 -1.226) 1.298 2.478 ( 8.585 12.764 -4.613) 16.059 2.859 ( -10.986 0.878 -8.192) 13.732 3.801 ( 3.533 3.360 2.943) 5.695 4.557 ( -3.890 -3.589 5.317) 7.502 4.813 ( 7.501 -0.924 3.855) 8.484 5.330 ( -9.642 -4.153 -5.287) 11.755 5.554 ( -9.605 -3.538 -8.801) 13.499 5.978 ( -23.601 8.699 7.361) 26.208 6.036 ( -2.403 -1.881 4.915) 5.786 6.254 ( -13.636 -2.109 5.518) 14.860 7.032 ( 3.349 5.021 -6.942) 9.199 9.326 ( -3.640 -14.395 -1.969) 14.978 10.916 ( -1.860 11.607 1.388) 11.837 11.324 ( 9.905 -10.660 -3.617) 14.994 13.230 ( -2.177 -2.049 0.990) 3.150 14.778 ( 3.248 -11.157 -0.271) 11.624 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -3.126 3.564 -0.745) 4.799 2.127 ( 0.544 1.802 -0.378) 1.920 2.615 ( -11.061 4.103 -9.331) 15.041 2.736 ( 4.949 9.398 -3.998) 11.349 3.861 ( -0.585 0.465 1.947) 2.086 4.440 ( -3.791 -5.540 0.949) 6.780 4.875 ( 1.932 -3.611 2.000) 4.557 5.250 ( 0.009 7.120 -7.872) 10.614 5.308 ( -8.259 1.478 -11.932) 14.586 5.770 ( -13.921 10.939 10.851) 20.766 5.992 ( -6.229 0.378 6.813) 9.239 6.286 ( 10.970 4.183 7.041) 13.689 7.100 ( -0.120 6.934 -6.619) 9.587 9.237 ( 7.625 -9.240 -0.939) 12.017 10.964 ( -6.202 10.655 1.799) 12.460 11.375 ( 9.498 -11.286 -1.596) 14.837 13.219 ( 2.350 -1.407 1.620) 3.182 14.716 ( 2.750 -11.122 -2.010) 11.632 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -4.574 2.778 -0.525) 5.377 2.152 ( 0.307 1.658 -0.848) 1.888 2.389 ( -14.315 2.618 -6.704) 16.023 2.920 ( 5.571 9.782 -6.380) 12.939 3.797 ( -5.802 -2.031 2.864) 6.781 4.376 ( 1.352 -3.845 -1.866) 4.482 4.835 ( -2.341 -6.373 3.360) 7.576 5.164 ( -1.389 -0.429 -10.023) 10.128 5.447 ( 6.667 12.595 -2.905) 14.544 5.859 ( 6.166 18.105 6.717) 20.271 5.970 ( -1.167 5.823 3.872) 7.089 6.588 ( 16.771 0.542 4.098) 17.272 7.128 ( -4.753 13.383 -2.333) 14.392 9.398 ( 19.053 -4.164 -0.021) 19.503 10.927 ( -9.121 7.761 1.620) 12.085 11.410 ( 8.222 -10.738 -1.587) 13.617 13.290 ( 5.073 1.627 2.712) 5.978 14.640 ( 2.149 -11.130 -3.828) 11.965 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -6.066 2.073 0.051) 6.411 2.095 ( -11.617 0.450 -5.078) 12.686 2.208 ( -4.496 2.686 -0.560) 5.267 3.036 ( 0.888 5.327 -8.563) 10.124 3.697 ( -5.551 -0.285 5.191) 7.605 4.359 ( 1.095 -4.736 0.041) 4.861 4.687 ( -7.175 -9.518 5.672) 13.200 5.182 ( 5.180 3.008 -5.122) 7.881 5.641 ( 6.558 4.878 0.529) 8.190 6.032 ( 2.517 5.704 -0.384) 6.246 6.385 ( 22.639 20.296 3.224) 30.575 6.744 ( 3.564 -0.647 -3.959) 5.366 7.324 ( 9.432 20.414 5.176) 23.076 9.769 ( 26.381 -0.846 0.965) 26.412 10.839 ( -7.860 4.167 0.956) 8.948 11.451 ( 8.629 -6.750 -3.582) 11.526 13.439 ( 6.634 6.399 4.483) 10.250 14.545 ( 1.250 -11.210 -5.856) 12.709 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -10.683 -2.792 -1.360) 11.125 1.855 ( -13.946 3.616 -0.616) 14.420 2.184 ( -2.121 1.090 -0.394) 2.417 2.954 ( -9.911 -1.747 -7.452) 12.523 3.613 ( -8.403 0.886 1.740) 8.627 4.311 ( -1.617 -6.441 7.153) 9.761 4.488 ( -6.044 -9.398 4.634) 12.096 5.366 ( 12.576 5.362 0.874) 13.699 5.741 ( 1.152 -0.342 0.749) 1.416 6.112 ( 0.159 5.223 -1.686) 5.490 6.446 ( -11.612 -6.150 -3.077) 13.496 7.277 ( 34.951 24.855 0.688) 42.893 7.761 ( 17.908 13.995 3.584) 23.008 10.222 ( 25.990 -0.298 1.511) 26.035 10.777 ( -1.587 0.264 -0.192) 1.620 11.583 ( 13.159 1.416 -6.938) 14.943 13.671 ( 8.370 11.509 7.810) 16.233 14.420 ( -0.439 -11.501 -8.225) 14.146 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -0.000 11.007 13.514) 17.429 1.295 ( -0.000 16.866 5.454) 17.726 1.714 ( 0.000 31.709 4.093) 31.972 2.040 ( 0.000 2.666 -0.970) 2.837 2.666 ( 0.000 25.324 2.836) 25.482 4.208 ( 0.000 2.742 -0.249) 2.754 4.439 ( -0.000 2.813 3.287) 4.326 5.212 ( -0.000 20.920 7.283) 22.152 5.387 ( 0.000 13.789 -7.647) 15.768 5.600 ( 0.000 9.360 -10.571) 14.119 6.731 ( -0.000 -14.867 15.825) 21.713 8.326 ( 0.000 -4.768 -12.350) 13.239 9.359 ( -0.000 -30.740 2.577) 30.848 10.985 ( 0.000 -7.636 -6.262) 9.875 11.113 ( -0.000 -10.634 -1.866) 10.797 11.750 ( 0.000 8.958 -28.414) 29.793 13.556 ( 0.000 17.494 -8.065) 19.264 15.216 ( -0.000 -34.074 21.152) 40.105 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 1.359 11.340 8.864) 14.457 1.519 ( 5.209 14.515 3.937) 15.916 2.059 ( 2.640 6.506 -0.694) 7.056 2.157 ( 12.573 19.864 -0.441) 23.513 3.010 ( 10.443 22.973 4.092) 25.565 4.249 ( 0.376 4.791 0.333) 4.817 4.380 ( -10.948 4.030 4.389) 12.464 5.366 ( -3.043 15.682 -0.880) 15.999 5.477 ( -3.567 16.914 -6.602) 18.504 5.821 ( 16.625 8.363 -5.235) 19.333 6.643 ( 0.086 -13.872 19.326) 23.789 8.190 ( -5.264 -6.670 -13.564) 16.006 8.955 ( -10.424 -34.363 2.638) 36.006 10.833 ( -6.121 -10.729 -3.783) 12.918 10.933 ( -6.535 -12.104 -2.056) 13.908 11.687 ( -0.857 -4.187 -21.727) 22.144 13.717 ( 2.052 14.523 -7.913) 16.666 14.953 ( -1.450 -28.826 17.981) 34.005 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 6.928 11.198 4.077) 13.784 1.751 ( 4.647 13.469 2.695) 14.501 2.116 ( 1.385 2.350 -1.400) 3.066 2.575 ( 15.627 13.206 -4.248) 20.897 3.448 ( 14.694 17.864 5.043) 23.674 4.203 ( -10.923 3.412 2.031) 11.622 4.354 ( 0.645 7.863 5.166) 9.430 5.418 ( -1.214 5.679 -3.273) 6.666 5.587 ( -0.958 15.687 -2.456) 15.907 6.191 ( 16.620 8.226 -1.827) 18.635 6.595 ( 1.393 -12.348 18.408) 22.209 7.906 ( -13.376 -10.588 -14.288) 22.253 8.390 ( -19.506 -29.680 2.495) 35.603 10.535 ( -13.180 -13.986 -2.328) 19.358 10.712 ( -3.250 -12.111 -3.042) 12.903 11.510 ( -4.753 -8.265 -15.268) 18.000 13.802 ( -4.333 9.152 -4.172) 10.952 14.746 ( 1.690 -23.568 11.607) 26.325 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 8.745 9.475 1.151) 12.945 1.957 ( 3.088 14.739 1.028) 15.094 2.147 ( 0.772 1.831 -1.860) 2.722 2.883 ( 12.085 5.341 -7.317) 15.104 3.796 ( 2.298 12.605 4.459) 13.567 4.142 ( 3.435 3.212 4.457) 6.479 4.483 ( 2.619 7.508 7.167) 10.705 5.447 ( 1.387 1.278 1.336) 2.311 5.692 ( 0.455 6.030 -1.912) 6.342 6.437 ( 2.893 0.813 3.094) 4.313 6.569 ( 3.659 -8.413 11.370) 14.610 7.454 ( -19.127 -13.054 -14.509) 27.327 7.780 ( -26.782 -15.316 1.853) 30.908 10.129 ( -17.177 -14.511 -2.070) 22.582 10.603 ( 6.386 -12.099 -3.346) 14.084 11.304 ( -5.280 -6.030 -10.317) 13.064 13.715 ( -12.513 4.801 -0.051) 13.403 14.631 ( 6.372 -20.420 5.187) 22.011 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 4.959 6.671 1.096) 8.384 2.110 ( 0.008 5.597 -2.472) 6.118 2.231 ( 4.966 13.647 -1.755) 14.628 3.031 ( 4.199 2.247 -8.939) 10.128 3.822 ( -7.343 8.503 5.078) 12.329 4.385 ( 15.342 0.319 5.042) 16.153 4.608 ( 1.257 4.675 8.507) 9.788 5.479 ( 2.058 -5.057 0.584) 5.491 5.685 ( -2.638 -1.243 1.218) 3.160 6.330 ( -8.650 -9.116 5.905) 13.886 6.572 ( -4.938 -2.035 0.536) 5.368 7.018 ( -14.259 -4.398 -12.186) 19.265 7.239 ( -27.680 0.515 3.430) 27.897 9.680 ( -17.427 -15.054 -1.875) 23.105 10.670 ( 15.908 -12.015 -3.342) 20.213 11.174 ( -3.092 -0.105 -5.778) 6.554 13.512 ( -14.183 1.321 1.437) 14.317 14.577 ( 8.103 -19.189 1.600) 20.891 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 0.539 6.135 1.263) 6.286 2.117 ( -0.527 1.676 -2.732) 3.248 2.487 ( 6.257 17.950 -3.988) 19.423 3.014 ( -5.762 3.915 -8.408) 10.919 3.826 ( -1.701 4.966 4.783) 7.102 4.579 ( 4.426 -4.762 5.040) 8.226 4.680 ( 3.956 0.238 7.205) 8.223 5.363 ( -4.029 -7.969 -6.140) 10.837 5.650 ( -4.444 -0.270 0.436) 4.474 6.092 ( -7.602 -5.902 1.989) 9.828 6.365 ( -14.440 0.985 -2.929) 14.767 6.711 ( -26.266 8.176 6.917) 28.366 7.038 ( -1.804 8.691 -4.788) 10.085 9.275 ( -11.103 -15.524 -1.493) 19.144 10.837 ( 19.787 -15.930 -2.989) 25.578 11.158 ( -2.757 8.730 -1.536) 9.283 13.307 ( -9.664 -1.679 1.509) 9.924 14.530 ( 8.010 -19.003 -0.193) 20.623 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -2.588 2.994 -1.180) 4.130 2.150 ( 0.071 4.479 -0.530) 4.510 2.736 ( 4.279 17.011 -5.839) 18.487 2.883 ( -11.948 6.643 -6.390) 15.090 3.873 ( 0.811 1.705 3.125) 3.652 4.492 ( -6.810 -5.769 2.983) 9.411 4.770 ( 5.627 -5.802 4.344) 9.176 5.250 ( -1.413 -0.757 -10.948) 11.065 5.484 ( -10.051 3.663 -5.316) 11.946 6.038 ( -3.283 -0.424 5.640) 6.540 6.215 ( -0.944 3.927 -0.806) 4.119 6.401 ( -26.342 15.720 10.946) 32.571 7.158 ( 2.563 13.917 -4.406) 14.821 9.032 ( 0.687 -13.982 -0.969) 14.032 10.968 ( 18.379 -22.489 -2.214) 29.128 11.212 ( -6.006 15.866 1.024) 16.996 13.190 ( -1.806 -2.559 1.534) 3.487 14.474 ( 7.523 -18.994 -1.417) 20.479 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -3.455 2.539 -1.018) 4.407 2.184 ( -0.775 4.304 -0.899) 4.465 2.685 ( -15.936 8.714 -5.915) 19.102 2.945 ( 2.933 14.125 -5.899) 15.586 3.872 ( -3.095 -0.749 2.769) 4.220 4.345 ( -3.454 -3.949 -1.179) 5.377 4.776 ( 1.829 -8.588 4.253) 9.757 5.164 ( -2.794 0.044 -11.363) 11.702 5.490 ( 1.390 10.361 -1.271) 10.531 5.976 ( -4.091 3.395 3.285) 6.249 6.244 ( -11.648 15.537 6.825) 20.583 6.378 ( 9.014 7.305 1.090) 11.654 7.326 ( -1.092 18.628 -0.657) 18.672 9.044 ( 14.143 -8.137 -0.734) 16.333 10.992 ( 11.486 -23.712 -1.654) 26.399 11.249 ( -6.404 12.974 1.269) 14.524 13.219 ( 5.346 1.184 2.055) 5.849 14.405 ( 6.872 -18.771 -2.469) 20.142 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -4.839 1.684 -0.697) 5.170 2.202 ( -1.569 4.013 -1.369) 4.521 2.466 ( -17.851 8.192 -3.974) 20.039 3.071 ( 0.277 9.379 -7.378) 11.936 3.806 ( -4.707 1.039 4.617) 6.675 4.291 ( 0.739 -3.735 -1.289) 4.020 4.688 ( -2.862 -11.413 5.802) 13.119 5.135 ( 1.615 3.381 -7.103) 8.031 5.610 ( 2.786 4.652 2.356) 5.913 6.026 ( 3.872 4.269 0.377) 5.776 6.344 ( 4.339 10.923 1.910) 11.907 6.645 ( 10.620 14.867 -1.325) 18.318 7.476 ( -1.341 16.727 2.939) 17.036 9.336 ( 23.615 1.523 -0.527) 23.670 10.883 ( 2.761 -20.757 -1.833) 21.020 11.283 ( 0.312 5.443 -0.570) 5.481 13.395 ( 8.656 8.168 3.336) 12.360 14.323 ( 5.883 -18.300 -3.495) 19.538 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -7.761 0.191 -0.850) 7.810 2.170 ( -12.222 7.333 -1.746) 14.360 2.248 ( -8.413 1.905 -1.442) 8.746 3.066 ( -5.549 3.302 -6.977) 9.507 3.773 ( -5.679 4.643 4.133) 8.420 4.259 ( 0.694 -6.200 1.740) 6.476 4.515 ( -6.093 -11.236 6.920) 14.534 5.241 ( 7.686 4.877 -1.602) 9.242 5.694 ( 3.491 0.390 1.459) 3.804 6.141 ( 3.213 5.629 -1.663) 6.691 6.471 ( 2.532 -3.611 2.408) 5.025 7.068 ( 18.102 24.210 -3.282) 30.407 7.661 ( 8.534 8.252 3.079) 12.264 9.807 ( 25.280 7.315 -0.051) 26.317 10.714 ( 1.811 -17.662 -2.529) 17.934 11.381 ( 7.920 2.896 -4.128) 9.389 13.677 ( 9.426 14.848 5.813) 18.523 14.221 ( 4.302 -17.659 -4.630) 18.756 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.000 9.722 7.879) 12.514 1.582 ( 0.000 10.293 2.560) 10.606 2.084 ( 0.000 2.450 -1.177) 2.718 2.268 ( 0.000 23.252 -2.018) 23.339 3.161 ( 0.000 22.089 4.529) 22.548 4.311 ( 0.000 7.972 0.874) 8.019 4.536 ( -0.000 4.289 2.716) 5.076 5.491 ( 0.000 11.951 -9.583) 15.318 5.613 ( 0.000 0.648 -11.247) 11.266 5.811 ( -0.000 23.538 8.965) 25.188 6.557 ( -0.000 -15.868 19.638) 25.247 8.114 ( 0.000 -9.051 -13.362) 16.139 8.663 ( -0.000 -41.838 2.443) 41.909 10.786 ( 0.000 -9.511 -2.855) 9.930 10.895 ( -0.000 -9.796 -1.201) 9.869 11.539 ( 0.000 -10.583 -20.128) 22.741 13.793 ( 0.000 10.352 -9.194) 13.845 14.765 ( -0.000 -24.014 18.713) 30.444 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 1.797 10.180 4.361) 11.219 1.757 ( 7.544 8.338 2.414) 11.500 2.112 ( 1.017 2.143 -1.371) 2.740 2.511 ( 6.804 14.848 -4.442) 16.926 3.443 ( 7.821 17.691 4.958) 19.968 4.394 ( -2.776 9.642 0.364) 10.040 4.502 ( -7.248 5.240 4.244) 9.900 5.487 ( -3.519 3.382 -5.719) 7.518 5.669 ( 3.714 3.678 -5.207) 7.378 6.109 ( 7.286 19.429 4.127) 21.156 6.482 ( 2.259 -15.649 17.180) 23.348 7.905 ( -6.973 -15.250 -12.610) 20.981 8.234 ( -2.341 -39.156 1.564) 39.257 10.576 ( -9.858 -16.096 -2.248) 19.008 10.736 ( -7.946 -4.277 -2.456) 9.352 11.387 ( 1.355 -11.257 -14.914) 18.735 13.857 ( 3.060 3.008 -8.042) 9.115 14.600 ( -3.571 -16.550 15.930) 23.247 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 5.854 9.896 1.690) 11.622 1.991 ( 8.893 9.785 1.657) 13.326 2.139 ( 0.693 1.253 -1.928) 2.401 2.737 ( 9.109 7.221 -6.232) 13.189 3.772 ( 11.716 11.191 5.018) 16.961 4.315 ( -12.240 6.982 1.709) 14.194 4.562 ( 0.761 8.639 6.435) 10.799 5.441 ( -1.049 -3.068 0.413) 3.268 5.715 ( 0.522 1.216 -1.924) 2.335 6.418 ( 8.326 11.696 1.781) 14.466 6.434 ( 2.492 -13.702 12.375) 18.631 7.492 ( -11.746 -24.688 -9.832) 29.054 7.886 ( -5.648 -20.196 -2.110) 21.077 10.212 ( -8.832 -20.254 -2.582) 22.246 10.524 ( -12.673 -2.197 -3.443) 13.315 11.263 ( -0.306 -6.916 -9.338) 11.624 13.880 ( -0.102 -0.408 -5.359) 5.375 14.422 ( -4.481 -14.732 11.205) 19.044 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 6.232 7.219 0.659) 9.560 2.145 ( -0.381 1.607 -2.199) 2.750 2.264 ( 9.038 14.162 -0.252) 16.802 2.913 ( 8.235 3.262 -6.881) 11.216 4.038 ( 3.104 7.225 5.343) 9.507 4.221 ( -2.008 3.052 3.204) 4.859 4.676 ( 0.614 6.248 8.187) 10.317 5.386 ( 0.842 -9.387 0.979) 9.476 5.710 ( -0.945 0.005 0.268) 0.982 6.349 ( -2.515 -12.226 7.362) 14.491 6.582 ( 2.166 1.678 2.150) 3.483 7.071 ( -8.361 -15.895 -10.810) 20.963 7.607 ( -12.921 -3.509 -0.816) 13.414 9.880 ( -12.877 -12.644 -1.975) 18.154 10.286 ( -1.490 -14.102 -4.447) 14.862 11.209 ( 0.266 1.921 -5.021) 5.383 13.779 ( -11.133 0.450 -1.032) 11.189 14.265 ( 2.774 -18.750 4.847) 19.564 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 4.261 4.741 0.202) 6.377 2.144 ( -0.617 1.782 -1.995) 2.745 2.563 ( 7.094 19.182 -2.273) 20.577 3.029 ( 4.420 3.151 -6.597) 8.543 4.009 ( -10.297 6.343 5.447) 13.264 4.359 ( 12.137 -5.500 3.141) 13.690 4.739 ( -2.049 2.314 9.492) 9.982 5.288 ( 0.132 -10.015 -4.132) 10.834 5.699 ( -1.374 0.241 1.253) 1.875 6.162 ( -7.279 -9.147 3.193) 12.118 6.523 ( -7.361 -4.351 -3.752) 9.338 6.901 ( 0.787 0.320 -4.421) 4.502 7.396 ( -16.481 10.874 3.054) 19.980 9.465 ( -23.775 -6.046 -1.514) 24.579 10.235 ( 19.570 -26.944 -4.071) 33.549 11.281 ( 1.565 11.355 -1.851) 11.611 13.534 ( -16.418 -0.540 1.429) 16.489 14.176 ( 8.313 -21.853 0.584) 23.388 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -1.158 2.481 -2.216) 3.522 2.181 ( 1.935 3.660 0.300) 4.150 2.840 ( 3.674 20.201 -3.893) 20.899 3.072 ( -2.854 6.732 -5.502) 9.151 3.930 ( -5.284 2.049 4.429) 7.193 4.452 ( 5.723 -10.210 1.670) 11.824 4.713 ( -3.523 -2.272 8.455) 9.437 5.209 ( 0.791 -2.579 -9.317) 9.700 5.632 ( -6.109 -0.350 -1.269) 6.249 6.053 ( -0.188 -0.256 3.671) 3.685 6.314 ( -8.537 -3.483 -5.451) 10.711 6.932 ( -9.336 10.139 4.757) 14.580 7.341 ( -6.949 22.715 1.153) 23.782 9.027 ( -16.662 -8.863 -1.289) 18.917 10.325 ( 24.435 -31.266 -2.647) 39.770 11.439 ( -0.420 17.209 0.097) 17.214 13.278 ( -11.336 -2.180 1.603) 11.654 14.110 ( 9.696 -23.032 -0.976) 25.009 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -2.207 2.233 -1.565) 3.508 2.232 ( 0.127 3.509 -0.440) 3.539 3.000 ( -8.455 12.032 -5.454) 15.685 3.063 ( -2.607 15.749 -3.705) 16.387 3.902 ( -0.860 -0.672 3.162) 3.345 4.366 ( -3.118 -8.076 -1.502) 8.786 4.672 ( 0.865 -7.291 6.774) 9.990 5.172 ( -1.186 1.143 -10.179) 10.312 5.572 ( -1.875 5.128 -0.314) 5.469 6.086 ( -3.632 1.993 2.878) 5.045 6.207 ( 3.882 -1.367 -2.359) 4.744 6.809 ( -18.812 17.150 5.638) 26.073 7.553 ( -1.907 25.742 0.786) 25.825 8.812 ( 2.937 -5.891 -1.196) 6.690 10.396 ( 21.992 -34.078 -1.833) 40.599 11.544 ( -7.878 16.063 0.836) 17.910 13.177 ( 0.597 1.165 1.561) 2.038 14.047 ( 9.877 -23.004 -1.596) 25.086 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -3.458 1.728 -0.881) 3.965 2.253 ( -0.938 2.756 -1.068) 3.101 2.860 ( -17.680 11.411 -3.656) 21.358 3.156 ( -1.646 9.820 -5.345) 11.301 3.892 ( -1.938 1.484 3.516) 4.280 4.256 ( -1.015 -4.494 -2.498) 5.241 4.619 ( -0.189 -10.065 6.770) 12.131 5.144 ( -0.835 4.065 -6.930) 8.078 5.633 ( 1.405 3.916 1.873) 4.563 6.030 ( -1.794 1.023 -0.788) 2.210 6.313 ( 5.510 -0.286 4.124) 6.888 6.794 ( -4.660 22.694 -1.843) 23.240 7.664 ( -5.553 8.892 2.657) 10.815 9.043 ( 18.703 13.207 -1.335) 22.934 10.384 ( 17.728 -35.298 -2.411) 39.573 11.493 ( -11.615 9.375 0.316) 14.930 13.334 ( 9.794 9.943 2.207) 14.130 13.984 ( 9.298 -21.962 -1.830) 23.919 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -5.471 1.197 -0.264) 5.606 2.249 ( -1.233 1.271 -1.766) 2.501 2.610 ( -21.090 7.009 -2.616) 22.378 3.161 ( -3.560 4.533 -5.303) 7.832 3.900 ( -2.200 3.765 4.700) 6.411 4.209 ( -0.340 -2.946 -1.652) 3.395 4.516 ( -3.305 -9.105 7.879) 12.486 5.195 ( 3.179 5.734 -2.362) 6.969 5.666 ( 0.432 -0.771 2.672) 2.815 6.088 ( 6.395 2.489 -0.986) 6.933 6.399 ( 3.636 -0.129 5.045) 6.220 7.051 ( 9.209 20.676 -7.253) 23.768 7.616 ( -0.520 -6.723 3.219) 7.472 9.558 ( 19.779 19.679 -1.248) 27.929 10.324 ( 14.687 -27.455 -3.667) 31.352 11.395 ( -5.732 3.380 -1.642) 6.853 13.669 ( 12.126 16.935 3.383) 21.102 13.918 ( 7.755 -20.099 -1.614) 21.603 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -0.000 8.888 4.316) 9.880 1.748 ( 0.000 6.000 1.192) 6.117 2.116 ( 0.000 1.640 -1.328) 2.110 2.568 ( 0.000 9.967 -4.355) 10.877 3.558 ( 0.000 15.309 4.029) 15.830 4.523 ( 0.000 12.375 1.092) 12.423 4.626 ( -0.000 3.210 2.335) 3.969 5.515 ( 0.000 -5.896 -2.967) 6.601 5.631 ( 0.000 8.236 -7.316) 11.016 6.256 ( -0.000 15.065 6.800) 16.528 6.354 ( -0.000 -15.992 14.257) 21.424 7.781 ( 0.000 -16.423 -12.431) 20.597 7.800 ( -0.000 -47.061 2.124) 47.109 10.518 ( -0.000 -18.344 -3.963) 18.767 10.751 ( -0.000 -3.817 -0.482) 3.848 11.228 ( 0.000 -5.824 -12.716) 13.987 13.769 ( 0.000 -6.589 -6.969) 9.591 14.599 ( -0.000 -4.835 14.405) 15.195 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 2.200 9.203 2.465) 9.778 1.892 ( 9.265 4.731 1.180) 10.470 2.135 ( 0.902 1.352 -1.492) 2.207 2.665 ( 4.833 4.493 -4.112) 7.775 3.743 ( 5.248 10.331 2.801) 11.922 4.584 ( -8.975 6.561 2.005) 11.297 4.650 ( 0.629 8.572 3.260) 9.192 5.412 ( -2.036 -9.723 2.012) 10.135 5.699 ( 1.749 2.302 -2.981) 4.153 6.274 ( 2.818 -12.933 10.575) 16.942 6.437 ( 4.823 9.241 1.617) 10.548 7.306 ( -4.949 -38.297 -1.360) 38.639 7.628 ( 5.991 -21.422 -8.693) 23.882 10.157 ( -12.382 -23.993 -4.261) 27.333 10.731 ( -4.388 4.155 -1.238) 6.168 11.159 ( -0.121 -2.940 -8.157) 8.671 13.713 ( 5.370 -10.553 -5.433) 13.028 14.546 ( -8.755 -0.869 11.403) 14.402 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 4.165 6.916 1.452) 8.202 2.119 ( 6.902 1.211 -1.360) 7.139 2.193 ( 8.238 7.903 -0.213) 11.418 2.792 ( 7.756 2.261 -3.552) 8.825 3.936 ( 8.250 3.700 2.003) 9.261 4.472 ( -11.890 5.498 4.995) 14.020 4.750 ( 0.563 6.662 4.405) 8.007 5.280 ( -0.935 -13.575 3.110) 13.958 5.713 ( 0.537 -1.060 -0.365) 1.243 6.242 ( 2.632 -11.454 6.678) 13.517 6.562 ( 2.612 0.648 -0.379) 2.717 6.930 ( -1.528 -23.802 -2.704) 24.004 7.547 ( 7.987 -13.126 -7.472) 17.086 9.727 ( -6.264 -25.505 -3.045) 26.438 10.580 ( -21.604 8.389 -2.067) 23.267 11.153 ( 4.849 0.180 -4.562) 6.660 13.687 ( 6.592 -13.183 -4.270) 15.346 14.359 ( -15.874 -1.134 8.437) 18.013 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 4.650 3.662 0.731) 5.964 2.156 ( 0.630 1.539 -1.782) 2.438 2.533 ( 15.129 13.288 -0.631) 20.146 2.936 ( 7.513 2.725 -3.107) 8.575 4.093 ( 8.328 -2.815 2.114) 9.042 4.330 ( -11.935 3.653 5.294) 13.558 4.822 ( -0.758 3.357 7.814) 8.539 5.153 ( 1.228 -12.135 -1.608) 12.302 5.706 ( 0.432 -2.119 -0.234) 2.175 6.155 ( -1.738 -9.886 3.404) 10.599 6.521 ( -2.345 -8.490 -3.767) 9.579 6.827 ( 5.564 -1.632 0.636) 5.833 7.569 ( 3.701 -0.742 -4.456) 5.840 9.474 ( 6.630 -25.751 -1.899) 26.659 10.175 ( -30.882 3.537 -1.889) 31.141 11.292 ( 7.627 8.282 -2.267) 11.485 13.631 ( 3.144 -13.721 -2.973) 14.387 14.068 ( -16.730 -5.017 5.419) 18.287 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 4.044 2.171 -0.208) 4.594 2.175 ( -0.133 2.412 -1.005) 2.617 2.910 ( 11.554 17.040 -1.452) 20.639 3.070 ( 5.394 4.287 -2.791) 7.434 4.104 ( -7.675 -1.237 4.353) 8.910 4.241 ( 3.491 -6.483 1.475) 7.510 4.809 ( -5.265 -2.054 9.082) 10.697 5.107 ( 4.325 -3.567 -7.051) 9.008 5.674 ( -1.269 -2.740 -0.645) 3.088 6.075 ( -1.059 -1.276 2.871) 3.315 6.344 ( -4.748 -9.151 -5.628) 11.746 7.020 ( 7.259 10.600 2.573) 13.102 7.626 ( -0.142 11.745 -0.408) 11.753 9.336 ( -7.980 -13.087 -1.149) 15.371 9.714 ( -7.185 -17.346 -1.657) 18.848 11.535 ( 7.627 14.570 -0.716) 16.461 13.478 ( -9.097 -7.046 -0.354) 11.512 13.795 ( -3.366 -15.329 1.395) 15.757 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -1.316 2.244 -1.035) 2.800 2.232 ( 2.637 1.800 -0.280) 3.205 3.157 ( -0.096 10.489 -2.918) 10.888 3.224 ( 4.078 13.879 -1.832) 14.581 3.961 ( -7.025 -0.900 3.360) 7.839 4.228 ( 4.500 -12.287 -0.758) 13.107 4.698 ( -5.907 -4.277 5.827) 9.335 5.146 ( 2.798 1.846 -6.632) 7.431 5.629 ( -1.518 0.203 -0.198) 1.545 6.125 ( 2.989 4.888 4.040) 7.010 6.177 ( -3.980 -5.719 -5.491) 8.871 7.137 ( -5.136 5.883 3.241) 8.456 7.875 ( 2.297 29.866 1.338) 29.984 8.915 ( -21.814 -1.678 -1.248) 21.914 9.643 ( 22.636 -35.783 -1.392) 42.364 11.771 ( 0.809 15.212 0.202) 15.235 13.261 ( -8.895 0.298 1.008) 8.957 13.663 ( 7.301 -20.979 -0.824) 22.229 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -2.487 1.836 -0.275) 3.103 2.272 ( 0.588 1.055 -1.100) 1.634 3.193 ( -7.054 10.149 -2.974) 12.712 3.290 ( -7.470 6.905 -2.303) 10.430 3.925 ( 0.376 1.924 2.843) 3.453 4.169 ( 3.072 -8.822 -2.774) 9.745 4.591 ( -3.271 -5.420 5.711) 8.525 5.180 ( -0.042 4.679 -4.551) 6.527 5.636 ( 1.205 0.934 0.476) 1.598 6.062 ( -2.794 -2.876 -4.458) 5.996 6.265 ( 4.312 5.508 6.029) 9.235 7.068 ( -7.669 5.875 0.545) 9.676 7.936 ( -19.280 6.837 1.300) 20.498 8.946 ( 14.130 23.418 -1.466) 27.390 9.669 ( 22.732 -36.538 -1.518) 43.059 11.786 ( -11.869 6.824 0.145) 13.691 13.291 ( 6.477 9.646 1.016) 11.663 13.608 ( 9.609 -19.143 -0.694) 21.431 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -3.804 1.319 0.488) 4.056 2.266 ( -0.943 -0.308 -1.997) 2.230 3.006 ( -20.109 2.937 -2.287) 20.450 3.237 ( -2.731 3.048 -3.303) 5.259 3.937 ( -0.602 -3.569 2.557) 4.432 4.195 ( 2.882 4.687 -1.591) 5.728 4.516 ( -2.173 -5.176 6.929) 8.918 5.223 ( 0.288 6.603 -1.785) 6.846 5.656 ( 0.530 -2.334 1.508) 2.829 6.015 ( 1.812 -0.934 -1.914) 2.796 6.382 ( 2.321 2.276 7.533) 8.205 7.066 ( 2.702 4.879 -5.953) 8.157 7.625 ( -12.495 -9.962 0.724) 15.996 9.413 ( 15.775 -0.772 -1.788) 15.895 9.811 ( 22.613 3.002 -2.021) 22.901 11.577 ( -13.693 -0.855 -0.901) 13.749 13.522 ( 11.762 -10.952 -1.850) 16.178 13.687 ( 11.066 11.526 3.283) 16.312 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 3.600 0.712) 3.670 1.857 ( -0.000 8.454 3.234) 9.051 2.129 ( 0.000 0.604 -1.287) 1.422 2.632 ( 0.000 0.008 -2.384) 2.384 3.801 ( 0.000 8.280 0.566) 8.300 4.685 ( -0.000 0.129 5.488) 5.490 4.761 ( 0.000 9.548 -0.488) 9.560 5.327 ( -0.000 -13.556 4.786) 14.376 5.686 ( 0.000 -1.596 -1.804) 2.408 6.178 ( -0.000 -7.565 6.149) 9.749 6.442 ( 0.000 1.462 -0.759) 1.647 6.955 ( -0.000 -37.700 4.296) 37.944 7.326 ( 0.000 -21.467 -11.422) 24.317 10.030 ( -0.000 -25.441 -5.743) 26.081 10.746 ( 0.000 3.174 -0.160) 3.178 11.186 ( 0.000 5.566 -5.195) 7.614 13.551 ( 0.000 -9.717 -4.377) 10.657 14.668 ( -0.000 1.567 9.485) 9.614 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 1.050 5.811 2.760) 6.518 1.968 ( 9.150 3.319 0.152) 9.734 2.161 ( 3.426 2.892 -0.744) 4.545 2.664 ( 6.005 -2.082 -0.782) 6.404 3.890 ( 2.819 4.654 -0.743) 5.492 4.654 ( -4.769 -3.288 9.395) 11.038 4.815 ( -0.153 4.495 -1.557) 4.759 5.193 ( -2.795 -11.413 4.699) 12.655 5.637 ( 2.457 -10.958 -0.143) 11.231 6.145 ( 0.242 -4.369 3.427) 5.558 6.478 ( 5.001 -3.535 -5.121) 7.983 6.698 ( 2.261 -20.010 6.949) 21.303 7.160 ( 10.194 -20.356 -10.977) 25.274 9.659 ( -11.514 -22.283 -3.758) 25.362 10.848 ( 3.200 7.493 -0.515) 8.164 11.150 ( -7.870 4.647 -3.426) 9.761 13.474 ( 2.752 -9.584 -3.606) 10.604 14.623 ( -10.248 1.167 7.330) 12.654 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 2.280 2.577 1.548) 3.773 2.118 ( 5.344 0.369 -0.976) 5.445 2.374 ( 14.408 9.967 0.784) 17.537 2.786 ( 10.416 -1.766 0.423) 10.573 3.973 ( 4.124 0.616 -1.025) 4.294 4.535 ( -7.667 -5.415 10.195) 13.858 4.862 ( 2.669 2.168 0.088) 3.440 5.052 ( -4.007 -7.979 1.988) 9.147 5.592 ( 6.093 -11.973 -0.440) 13.441 6.108 ( -1.294 -2.773 1.756) 3.528 6.438 ( -0.226 -9.640 -4.632) 10.697 6.711 ( 7.920 -0.602 7.406) 10.860 7.231 ( 21.069 -13.648 -10.890) 27.363 9.263 ( -9.203 -19.130 -1.159) 21.260 10.764 ( -26.041 10.007 -0.613) 27.904 11.183 ( 10.524 4.291 -2.122) 11.562 13.412 ( 2.962 -11.303 -2.764) 12.008 14.401 ( -18.755 -0.122 5.064) 19.427 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 4.071 1.072 0.635) 4.258 2.183 ( 1.853 1.745 -0.283) 2.561 2.765 ( 18.217 10.427 0.698) 21.001 2.969 ( 11.142 0.919 0.709) 11.202 4.023 ( 3.562 -3.613 -0.925) 5.157 4.369 ( -9.812 -4.268 7.194) 12.894 4.899 ( -5.934 -2.827 5.198) 8.380 4.967 ( 6.383 -1.249 -4.058) 7.666 5.602 ( 5.284 -6.390 -0.310) 8.297 6.085 ( -0.588 1.477 1.621) 2.270 6.292 ( -2.765 -10.416 -3.317) 11.276 6.961 ( 12.176 8.874 3.864) 15.554 7.477 ( 21.522 -3.384 -7.271) 22.968 8.998 ( 0.720 -19.850 0.350) 19.866 10.280 ( -38.745 5.933 -0.045) 39.197 11.460 ( 14.013 8.764 -1.129) 16.566 13.337 ( 2.932 -12.155 -1.934) 12.652 14.043 ( -23.280 -1.850 3.012) 23.547 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 3.649 0.336 -0.503) 3.699 2.220 ( 0.532 2.158 0.785) 2.357 3.120 ( 11.651 3.873 0.676) 12.296 3.200 ( 12.118 9.129 0.363) 15.176 4.013 ( 1.502 -5.798 -1.243) 6.117 4.175 ( -10.506 -3.643 3.944) 11.798 4.762 ( -5.519 -5.341 0.606) 7.704 5.079 ( 5.666 2.604 -1.238) 6.357 5.625 ( 1.474 -1.096 -0.005) 1.837 6.141 ( 0.544 1.696 1.215) 2.157 6.150 ( -0.482 -3.160 -1.351) 3.470 7.179 ( 4.486 1.238 -0.656) 4.700 7.900 ( 22.816 16.302 -1.261) 28.070 8.898 ( 10.579 -20.943 0.307) 23.465 9.624 ( -41.270 1.222 0.458) 41.290 11.777 ( 12.157 8.464 -0.359) 14.818 13.283 ( 3.622 -7.770 -1.069) 8.639 13.640 ( -20.555 -3.860 1.315) 20.956 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -0.059 0.579 -0.186) 0.611 2.255 ( 1.263 0.734 0.117) 1.466 3.271 ( 2.916 3.355 -0.001) 4.445 3.420 ( 2.217 2.431 0.012) 3.290 3.987 ( -7.120 -1.660 2.496) 7.725 4.015 ( 4.941 -1.934 -2.282) 5.776 4.627 ( -4.551 -4.918 0.598) 6.727 5.188 ( 3.536 4.480 -1.023) 5.798 5.628 ( -0.151 -0.221 -0.009) 0.268 6.048 ( -1.722 -4.262 -2.024) 5.023 6.285 ( 3.868 7.877 2.799) 9.211 7.156 ( -3.426 -4.445 -0.513) 5.636 8.275 ( -2.443 -3.087 0.022) 3.937 9.033 ( 15.094 17.592 0.042) 23.180 9.069 ( -10.746 -12.692 -0.037) 16.630 11.941 ( -0.104 -0.113 0.000) 0.153 13.344 ( -5.769 -8.928 -0.041) 10.630 13.351 ( 5.473 8.617 0.041) 10.208 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -2.168 0.453 0.811) 2.358 2.261 ( -0.176 -1.123 -1.361) 1.773 3.272 ( -7.802 -4.804 -0.577) 9.180 3.301 ( -7.744 -0.924 -1.584) 7.958 3.890 ( -0.175 -5.900 0.431) 5.918 4.186 ( 6.752 10.993 -0.108) 12.901 4.530 ( -2.293 -3.702 2.768) 5.160 5.277 ( 1.168 6.240 -0.597) 6.377 5.622 ( 0.563 -1.955 0.410) 2.075 5.987 ( -0.854 -2.498 -1.581) 3.077 6.402 ( 1.387 3.090 3.770) 5.068 7.020 ( -3.346 -10.005 -1.001) 10.597 7.853 ( -23.420 -13.890 -1.171) 27.254 8.966 ( 12.709 -19.872 -0.713) 23.599 9.693 ( 22.371 38.322 -0.549) 44.377 11.774 ( -12.440 -7.762 -0.303) 14.666 13.248 ( 4.539 -9.982 -0.568) 10.980 13.657 ( 12.298 19.631 1.102) 23.191 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -0.000 1.988 0.719) 2.114 2.041 ( -0.000 7.729 4.557) 8.972 2.126 ( 0.000 -0.030 -0.993) 0.994 2.577 ( -0.000 -4.189 0.713) 4.249 3.907 ( 0.000 3.806 -2.060) 4.327 4.655 ( -0.000 -12.077 13.489) 18.106 4.799 ( 0.000 -3.156 -3.062) 4.397 5.185 ( -0.000 -0.708 2.223) 2.334 5.431 ( -0.000 -22.734 0.109) 22.734 6.162 ( -0.000 2.927 1.999) 3.545 6.350 ( 0.000 -3.785 -9.838) 10.541 6.560 ( -0.000 -9.979 11.561) 15.272 6.830 ( 0.000 -21.049 -10.515) 23.529 9.559 ( -0.000 -18.102 -3.374) 18.413 10.838 ( 0.000 5.416 -0.506) 5.440 11.301 ( 0.000 7.156 -1.547) 7.321 13.375 ( 0.000 -5.462 -3.109) 6.285 14.743 ( -0.000 0.485 5.847) 5.867 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 7.536 0.588 0.175) 7.561 2.046 ( -2.299 1.654 2.223) 3.600 2.270 ( 9.983 7.048 2.605) 12.495 2.597 ( 6.919 -4.628 2.023) 8.566 3.941 ( 1.314 2.161 -2.405) 3.490 4.536 ( -1.572 -15.837 12.964) 20.527 4.792 ( 2.887 -1.153 -1.593) 3.494 5.143 ( -6.171 1.362 0.136) 6.321 5.296 ( 8.922 -17.984 0.776) 20.091 6.175 ( -3.568 5.633 1.180) 6.772 6.308 ( 2.714 -8.216 -8.987) 12.476 6.609 ( 6.388 -1.995 9.353) 11.501 6.718 ( 14.416 -14.203 -8.955) 22.130 9.304 ( -10.742 -11.616 -1.255) 15.871 10.976 ( 9.441 5.358 -0.885) 10.891 11.243 ( -13.533 5.255 -0.582) 14.529 13.316 ( -0.785 -4.373 -2.430) 5.064 14.667 ( -10.679 -0.674 4.096) 11.458 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 1.967 0.135 1.150) 2.283 2.129 ( 6.051 0.821 0.553) 6.132 2.576 ( 15.490 8.504 3.261) 17.970 2.732 ( 13.207 -4.236 2.878) 14.165 3.969 ( 1.259 0.137 -2.397) 2.711 4.411 ( -1.841 -11.265 8.911) 14.480 4.852 ( 4.482 -0.355 -1.661) 4.793 5.024 ( -8.048 0.487 1.270) 8.162 5.378 ( 12.800 -6.016 1.709) 14.247 6.168 ( -3.959 5.799 0.490) 7.038 6.214 ( -0.654 -8.388 -3.596) 9.150 6.745 ( 17.700 -9.292 -7.071) 21.205 7.006 ( 22.526 5.081 2.674) 23.246 9.007 ( -12.838 -6.474 0.403) 14.384 10.917 ( -28.717 4.931 0.742) 29.147 11.252 ( 15.827 3.058 -1.282) 16.171 13.246 ( -1.632 -3.697 -1.740) 4.399 14.408 ( -19.490 -1.756 2.457) 19.722 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 3.771 -0.326 0.639) 3.839 2.215 ( 2.832 1.196 1.089) 3.261 2.914 ( 16.211 0.103 2.903) 16.469 2.989 ( 16.973 2.925 3.230) 17.524 3.963 ( -0.051 -1.264 -2.654) 2.940 4.295 ( -5.448 -5.972 5.015) 9.513 4.803 ( -6.120 -3.529 -5.544) 8.980 5.016 ( 4.422 1.802 4.499) 6.560 5.553 ( 7.555 1.861 1.408) 7.907 6.105 ( -1.072 -6.681 -1.224) 6.876 6.200 ( -1.199 8.251 0.926) 8.389 6.946 ( 18.360 -9.610 -7.260) 21.958 7.536 ( 27.618 10.534 2.184) 29.639 8.789 ( -7.107 -0.344 0.966) 7.181 10.361 ( -40.321 1.498 1.441) 40.374 11.559 ( 17.219 0.902 -0.640) 17.255 13.206 ( 0.288 0.912 -1.207) 1.540 14.017 ( -24.254 -2.292 1.184) 24.391 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 3.361 -0.981 -0.253) 3.511 2.258 ( 0.680 0.663 1.629) 1.885 3.165 ( 12.989 -1.092 2.561) 13.284 3.264 ( 11.298 -3.628 2.780) 12.187 3.955 ( 1.070 1.180 -3.069) 3.458 4.141 ( -8.648 -1.271 2.768) 9.169 4.646 ( -4.791 -4.776 -4.970) 8.395 5.144 ( 5.921 3.009 2.531) 7.108 5.638 ( 0.212 1.889 0.007) 1.901 6.034 ( -1.346 -3.730 1.121) 4.121 6.303 ( 2.947 8.351 -1.378) 8.962 7.081 ( 7.510 -6.434 -2.308) 10.155 7.943 ( 15.602 -13.420 -0.134) 20.580 8.931 ( 13.227 23.856 1.565) 27.322 9.653 ( -42.300 1.130 1.576) 42.345 11.787 ( 11.666 -7.208 -0.004) 13.713 13.299 ( 4.406 10.157 -0.545) 11.085 13.604 ( -20.717 -0.554 0.040) 20.725 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -0.000 0.348 0.806) 0.878 2.123 ( 0.000 0.386 -0.485) 0.620 2.198 ( -0.000 2.947 7.307) 7.879 2.518 ( -0.000 -1.434 2.854) 3.194 3.940 ( 0.000 1.240 -2.791) 3.054 4.432 ( -0.000 -14.371 11.342) 18.308 4.762 ( -0.000 0.155 0.864) 0.878 5.052 ( -0.000 -11.484 1.496) 11.581 5.215 ( 0.000 0.966 -1.293) 1.614 6.157 ( 0.000 -6.631 -14.623) 16.057 6.297 ( 0.000 7.875 -1.373) 7.994 6.412 ( 0.000 -12.457 -7.592) 14.588 6.609 ( -0.000 2.440 15.007) 15.204 9.321 ( -0.000 -4.740 -0.273) 4.748 10.913 ( 0.000 2.247 -1.345) 2.619 11.411 ( 0.000 4.082 0.533) 4.117 13.299 ( 0.000 -0.700 -1.972) 2.093 14.758 ( -0.000 -1.842 2.883) 3.421 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 5.712 -0.700 0.005) 5.754 2.081 ( -1.092 0.645 2.639) 2.928 2.373 ( 13.338 -2.417 4.666) 14.335 2.583 ( 5.318 4.005 4.816) 8.217 3.941 ( 0.913 -0.795 -2.887) 3.130 4.349 ( -0.546 -7.816 7.583) 10.904 4.796 ( 2.361 0.911 2.028) 3.243 5.128 ( 10.487 2.713 2.617) 11.144 5.156 ( -3.829 -1.630 -1.032) 4.288 6.091 ( 2.739 -5.966 -10.027) 11.985 6.296 ( 8.535 -6.840 -11.069) 15.561 6.371 ( -4.573 6.195 0.717) 7.733 6.825 ( 13.885 7.743 11.052) 19.362 9.207 ( -11.310 1.863 0.810) 11.491 11.022 ( 11.422 -0.084 -1.558) 11.528 11.322 ( -14.564 2.228 1.500) 14.809 13.274 ( -2.499 1.269 -1.542) 3.199 14.651 ( -10.687 -2.866 1.771) 11.206 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 2.856 -1.279 0.774) 3.224 2.155 ( 5.528 1.001 1.676) 5.862 2.586 ( 16.836 -7.813 3.597) 18.906 2.816 ( 12.006 7.633 6.348) 15.579 3.934 ( 1.056 -2.051 -3.214) 3.956 4.302 ( -1.321 -3.468 3.082) 4.824 4.837 ( -1.044 -0.640 -1.831) 2.203 5.026 ( -3.816 -1.050 2.290) 4.573 5.441 ( 12.076 9.041 3.288) 15.440 6.045 ( 0.763 -3.927 -3.679) 5.435 6.353 ( -5.716 8.621 0.701) 10.367 6.455 ( 20.946 -5.911 -10.525) 24.175 7.263 ( 21.546 12.266 5.723) 25.444 9.025 ( -14.167 8.047 1.001) 16.323 10.953 ( -27.623 -2.263 2.042) 27.791 11.269 ( 15.086 -0.344 -0.581) 15.101 13.256 ( -1.812 5.636 -1.414) 6.087 14.368 ( -19.264 -3.380 1.022) 19.585 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 3.581 -1.817 0.549) 4.053 2.239 ( 2.775 0.285 1.655) 3.244 2.825 ( 19.211 -9.251 3.283) 21.573 3.100 ( 10.729 3.034 5.852) 12.592 3.929 ( 1.946 -0.225 -3.932) 4.393 4.236 ( -4.253 -2.319 1.463) 5.060 4.686 ( -7.851 -4.931 -6.514) 11.331 5.086 ( 5.047 2.894 4.616) 7.427 5.644 ( 3.091 4.570 -0.365) 5.529 6.023 ( -0.042 -1.106 0.392) 1.174 6.358 ( -1.625 6.332 -4.121) 7.727 6.783 ( 20.168 2.185 -0.028) 20.286 7.676 ( 11.682 0.843 0.354) 11.718 9.029 ( 1.845 22.672 1.480) 22.795 10.357 ( -39.213 -2.913 2.865) 39.425 11.494 ( 13.683 -6.016 0.166) 14.948 13.353 ( 3.431 13.885 -1.559) 14.387 13.972 ( -23.252 -2.848 0.556) 23.432 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -0.000 -1.284 0.605) 1.420 2.136 ( 0.000 1.099 0.074) 1.101 2.199 ( -0.000 -6.921 7.100) 9.915 2.614 ( -0.000 7.058 6.829) 9.821 3.904 ( 0.000 -2.679 -3.407) 4.334 4.341 ( -0.000 -1.183 5.916) 6.034 4.809 ( -0.000 2.845 3.424) 4.452 5.089 ( 0.000 13.059 3.388) 13.491 5.176 ( 0.000 -3.341 -2.991) 4.485 5.982 ( 0.000 0.872 -15.003) 15.029 6.108 ( 0.000 -7.417 -7.642) 10.650 6.601 ( 0.000 18.180 -0.797) 18.198 6.749 ( -0.000 0.573 13.574) 13.586 9.374 ( 0.000 9.502 1.686) 9.650 10.897 ( 0.000 -2.597 -1.964) 3.256 11.462 ( -0.000 0.345 2.479) 2.502 13.315 ( 0.000 3.242 -1.444) 3.549 14.714 ( -0.000 -3.952 1.274) 4.153 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 4.956 -2.068 -0.166) 5.373 2.105 ( 0.970 -0.881 3.735) 3.958 2.282 ( 10.735 -7.197 3.267) 13.331 2.765 ( 6.023 7.728 8.430) 12.926 3.871 ( 1.222 -3.496 -4.362) 5.722 4.336 ( -2.701 1.484 2.024) 3.688 4.845 ( -0.216 1.123 1.651) 2.008 5.086 ( -4.294 -2.791 -1.296) 5.283 5.377 ( 10.501 16.677 3.657) 20.044 6.000 ( 1.121 2.874 -6.394) 7.099 6.117 ( 10.815 2.447 -10.751) 15.445 6.591 ( -9.512 9.172 3.350) 13.632 7.056 ( 18.307 10.915 5.072) 21.909 9.382 ( -12.924 14.886 1.585) 19.778 10.960 ( 10.225 -4.695 -1.505) 11.352 11.355 ( -12.976 -0.025 3.633) 13.475 13.338 ( -1.140 6.208 -1.746) 6.548 14.586 ( -10.420 -4.605 1.213) 11.457 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 3.569 -3.290 0.598) 4.890 2.184 ( 5.057 0.566 1.999) 5.467 2.429 ( 16.023 -10.470 3.360) 19.433 2.992 ( 9.041 4.570 8.281) 13.085 3.856 ( 2.963 -2.643 -5.268) 6.597 4.288 ( -4.071 -0.090 -0.558) 4.110 4.743 ( -7.333 -7.249 -5.232) 11.563 5.079 ( 1.783 4.871 4.184) 6.664 5.626 ( 4.088 6.117 -0.933) 7.416 6.032 ( 0.769 4.039 -0.949) 4.220 6.376 ( 6.350 7.406 -4.582) 10.778 6.628 ( 6.736 15.276 2.063) 16.822 7.488 ( 16.392 8.829 0.472) 18.624 9.328 ( -10.734 21.381 1.192) 23.954 10.860 ( -21.335 -8.194 2.650) 23.007 11.272 ( 6.324 1.501 1.580) 6.689 13.425 ( 2.724 12.448 -2.600) 13.005 14.297 ( -18.449 -4.543 1.542) 19.063 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -0.000 -2.983 0.074) 2.984 2.072 ( -0.000 -10.139 6.160) 11.864 2.160 ( -0.000 0.957 0.383) 1.031 2.816 ( -0.000 6.717 9.706) 11.804 3.804 ( 0.000 -4.600 -5.578) 7.230 4.396 ( 0.000 2.880 0.471) 2.918 4.849 ( -0.000 -3.517 -0.701) 3.586 5.108 ( 0.000 1.393 -0.304) 1.425 5.471 ( 0.000 18.358 2.034) 18.471 6.001 ( 0.000 0.082 -3.915) 3.916 6.103 ( 0.000 23.780 -9.792) 25.717 6.770 ( -0.000 -6.844 9.754) 11.916 7.008 ( 0.000 24.303 -2.659) 24.448 9.692 ( 0.000 21.118 1.590) 21.178 10.806 ( 0.000 -4.755 -1.775) 5.076 11.476 ( -0.000 -0.761 5.059) 5.116 13.400 ( 0.000 6.707 -2.449) 7.140 14.631 ( -0.000 -5.412 1.989) 5.766 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 4.409 -4.141 -0.208) 6.052 2.044 ( 7.605 -9.270 4.969) 12.980 2.202 ( 3.879 -1.703 0.723) 4.297 2.944 ( 4.770 3.172 9.827) 11.374 3.753 ( 2.334 -5.014 -5.965) 8.134 4.370 ( -4.841 0.974 -2.190) 5.402 4.740 ( -4.060 -10.112 -4.836) 11.922 5.146 ( -0.716 8.064 2.266) 8.406 5.645 ( 1.803 8.629 -0.271) 8.819 6.035 ( 2.992 3.552 -0.987) 4.748 6.424 ( 4.257 27.614 -4.592) 28.315 6.701 ( 0.429 2.557 4.645) 5.319 7.359 ( 12.110 19.559 -1.855) 23.079 9.771 ( -14.125 23.056 0.500) 27.044 10.848 ( 6.738 -5.245 -0.698) 8.567 11.402 ( -9.487 2.701 6.074) 11.584 13.481 ( 2.290 10.163 -3.798) 11.089 14.498 ( -10.049 -5.652 3.270) 11.984 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -0.000 -4.911 -0.663) 4.955 1.886 ( -0.000 -12.850 4.501) 13.615 2.170 ( -0.000 -0.306 0.339) 0.456 2.948 ( -0.000 -1.758 9.911) 10.066 3.653 ( 0.000 -6.811 -5.008) 8.454 4.408 ( 0.000 -1.272 -4.767) 4.934 4.653 ( 0.000 -11.224 -5.061) 12.312 5.258 ( 0.000 11.634 0.527) 11.646 5.713 ( 0.000 6.848 -0.740) 6.888 6.034 ( 0.000 3.594 0.111) 3.596 6.562 ( -0.000 -8.636 3.138) 9.188 6.814 ( 0.000 38.378 -0.456) 38.381 7.487 ( 0.000 26.392 -3.767) 26.659 10.156 ( 0.000 24.375 -0.835) 24.389 10.726 ( 0.000 -1.520 -0.931) 1.783 11.541 ( -0.000 4.453 7.609) 8.816 13.538 ( 0.000 10.052 -5.447) 11.433 14.541 ( -0.000 -6.153 5.709) 8.394 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -0.000 0.000 16.913) 16.913 0.572 ( -0.000 0.000 16.913) 16.913 1.022 ( -0.000 0.000 31.937) 31.937 1.978 ( 0.000 -0.000 -0.866) 0.866 1.978 ( 0.000 -0.000 -0.866) 0.866 4.177 ( 0.000 -0.000 -0.531) 0.531 4.605 ( -0.000 0.000 4.605) 4.605 4.605 ( -0.000 0.000 4.605) 4.605 5.241 ( 0.000 -0.000 -4.132) 4.132 5.241 ( 0.000 -0.000 -4.132) 4.132 6.909 ( 0.000 -0.000 -0.511) 0.511 8.760 ( -0.000 0.000 3.889) 3.889 9.967 ( -0.000 0.000 2.137) 2.137 9.967 ( -0.000 0.000 2.137) 2.137 11.365 ( 0.000 -0.000 -2.103) 2.103 11.365 ( 0.000 -0.000 -2.103) 2.103 13.236 ( 0.000 -0.000 -2.112) 2.112 16.218 ( -0.000 0.000 0.183) 0.183 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 15.522 8.962 10.666) 20.857 0.900 ( 9.065 5.233 17.594) 20.472 1.318 ( 22.127 12.775 16.826) 30.593 1.994 ( 1.538 0.888 -0.872) 1.978 2.205 ( 18.358 10.599 1.336) 21.240 4.179 ( 0.461 0.266 -1.306) 1.410 4.476 ( -14.926 -8.618 12.535) 21.311 4.612 ( 4.162 2.403 2.197) 5.284 5.165 ( 3.469 2.003 -10.321) 11.071 5.466 ( 15.047 8.688 -1.735) 17.462 6.943 ( -1.867 -1.078 4.319) 4.827 8.467 ( -11.478 -6.627 -3.606) 13.735 9.806 ( -14.668 -8.468 2.245) 17.085 10.938 ( 47.870 27.638 -28.136) 62.024 11.296 ( -3.975 -2.295 -3.483) 5.761 11.301 ( -5.253 -3.033 -2.029) 6.396 13.293 ( 6.336 3.658 -2.961) 7.893 15.916 ( -21.783 -12.576 10.806) 27.375 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 8.943 5.163 13.879) 17.299 1.180 ( 15.544 8.975 5.278) 18.709 1.959 ( 28.273 16.324 3.853) 32.874 2.034 ( 2.179 1.258 -0.902) 2.673 2.720 ( 24.876 14.362 4.066) 29.010 4.184 ( -3.082 -1.780 2.985) 4.645 4.214 ( -6.544 -3.778 4.979) 9.049 4.798 ( 11.736 6.776 0.041) 13.552 5.257 ( 6.269 3.619 -11.988) 14.004 5.867 ( 19.841 11.455 -0.160) 22.911 6.864 ( -6.139 -3.544 14.487) 16.129 8.231 ( -9.411 -5.433 -12.447) 16.523 9.335 ( -27.508 -15.882 2.481) 31.860 11.056 ( -11.329 -6.541 -2.483) 13.315 11.128 ( -9.117 -5.264 -1.772) 10.675 11.535 ( 11.399 6.581 -26.517) 29.604 13.476 ( 9.020 5.208 -4.513) 11.351 15.486 ( -18.663 -10.775 13.408) 25.381 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 11.887 6.863 6.995) 15.406 1.489 ( 10.792 6.231 2.958) 12.808 2.079 ( 1.972 1.139 -1.031) 2.500 2.540 ( 22.486 12.982 -2.414) 26.076 3.275 ( 21.336 12.319 4.198) 24.992 4.047 ( -4.454 -2.572 6.968) 8.661 4.261 ( 4.811 2.778 -0.115) 5.556 5.112 ( 15.689 9.058 -1.763) 18.202 5.342 ( 4.225 2.439 -6.307) 7.973 6.299 ( 17.151 9.902 0.544) 19.812 6.796 ( -5.312 -3.067 18.910) 19.880 7.901 ( -16.423 -9.482 -15.594) 24.552 8.611 ( -36.976 -21.348 2.769) 42.785 10.743 ( -15.512 -8.956 -2.181) 18.044 10.908 ( -9.219 -5.323 -1.242) 10.718 11.516 ( -2.969 -1.714 -18.417) 18.733 13.583 ( 0.722 0.417 -1.996) 2.163 15.189 ( -10.900 -6.293 8.401) 15.133 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 7.045 4.067 1.860) 8.345 1.700 ( 12.990 7.500 1.895) 15.118 2.112 ( 1.203 0.694 -1.173) 1.818 2.921 ( 12.118 6.996 -7.566) 15.907 3.572 ( 3.462 1.999 2.411) 4.668 4.153 ( 12.507 7.221 8.878) 16.952 4.407 ( 7.151 4.129 2.837) 8.731 5.423 ( 4.134 2.387 0.986) 4.874 5.447 ( 13.517 7.804 -2.296) 15.776 6.584 ( 7.014 4.049 -0.486) 8.113 6.710 ( -8.682 -5.012 18.193) 20.772 7.390 ( -23.749 -13.712 -16.826) 32.174 7.742 ( -39.590 -22.857 3.240) 45.829 10.351 ( -18.480 -10.669 -2.505) 21.485 10.743 ( -4.615 -2.664 -0.375) 5.342 11.388 ( -2.411 -1.392 -13.183) 13.473 13.510 ( -5.996 -3.462 0.604) 6.949 15.037 ( -5.026 -2.902 3.535) 6.796 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 4.829 2.788 1.076) 5.679 1.994 ( 13.017 7.516 -1.668) 15.124 2.124 ( 0.171 0.099 -1.136) 1.153 3.007 ( -1.240 -0.716 -10.927) 11.020 3.631 ( 3.360 1.940 4.838) 6.201 4.510 ( 13.451 7.766 7.915) 17.433 4.562 ( 5.217 3.012 4.511) 7.526 5.536 ( 4.805 2.774 3.461) 6.539 5.639 ( 2.288 1.321 -0.531) 2.695 6.496 ( -15.553 -8.979 10.598) 20.852 6.501 ( -18.301 -10.566 -2.006) 21.227 6.782 ( -23.618 -13.636 -11.534) 29.610 7.043 ( -16.048 -9.265 1.862) 18.624 9.917 ( -18.555 -10.713 -2.858) 21.615 10.710 ( 1.406 0.812 0.726) 1.779 11.346 ( 1.867 1.078 -8.883) 9.141 13.367 ( -6.165 -3.559 1.250) 7.227 14.961 ( -2.866 -1.655 0.933) 3.438 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 3.028 1.748 0.163) 3.500 2.116 ( -0.432 -0.250 -0.688) 0.850 2.268 ( 12.169 7.026 -4.541) 14.767 2.862 ( -7.216 -4.166 -9.911) 12.948 3.748 ( 4.902 2.830 3.979) 6.919 4.612 ( -1.083 -0.626 5.401) 5.544 4.792 ( 8.004 4.621 4.938) 10.479 5.476 ( -15.580 -8.995 -2.023) 18.103 5.585 ( -3.874 -2.237 -7.103) 8.394 6.008 ( -18.211 -10.514 6.780) 22.095 6.125 ( -11.257 -6.499 -0.444) 13.006 6.371 ( -13.715 -7.919 7.324) 17.449 6.948 ( 2.301 1.329 -6.405) 6.934 9.542 ( -13.098 -7.562 -2.593) 15.345 10.781 ( 3.647 2.106 1.708) 4.545 11.392 ( 3.744 2.162 -5.033) 6.635 13.265 ( -3.043 -1.757 1.299) 3.746 14.902 ( -2.600 -1.501 -0.532) 3.049 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 0.544 0.314 -0.856) 1.062 2.112 ( 0.415 0.240 0.129) 0.496 2.489 ( 7.418 4.283 -8.994) 12.420 2.667 ( -5.339 -3.082 -6.496) 8.955 3.848 ( 2.432 1.404 2.539) 3.785 4.542 ( -5.913 -3.414 2.636) 7.319 4.901 ( 1.297 0.749 0.001) 1.498 5.151 ( -7.617 -4.398 -5.201) 10.218 5.336 ( -8.892 -5.134 -14.308) 17.611 5.746 ( -9.033 -5.215 12.643) 16.390 6.058 ( -5.087 -2.937 9.079) 10.813 6.237 ( 4.388 2.533 7.376) 8.948 6.994 ( 3.031 1.750 -9.797) 10.404 9.347 ( -3.154 -1.821 -1.741) 4.036 10.851 ( 1.532 0.884 2.255) 2.866 11.461 ( 3.130 1.807 -2.370) 4.322 13.239 ( 0.115 0.066 1.561) 1.567 14.837 ( -2.915 -1.683 -1.717) 3.778 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -1.560 -0.901 -0.966) 2.045 2.134 ( 1.287 0.743 0.318) 1.520 2.378 ( -8.616 -4.974 -9.802) 13.967 2.751 ( 8.778 5.068 -6.129) 11.845 3.846 ( -3.412 -1.970 2.321) 4.573 4.428 ( -2.709 -1.564 -2.161) 3.802 4.895 ( -0.767 -0.443 -2.084) 2.264 5.172 ( -3.685 -2.127 -6.151) 7.479 5.181 ( 11.335 6.544 -5.891) 14.353 5.701 ( 2.313 1.335 13.085) 13.354 5.967 ( -3.074 -1.775 5.824) 6.820 6.516 ( 15.708 9.069 7.823) 19.753 6.986 ( -1.271 -0.734 -9.853) 9.961 9.401 ( 8.317 4.802 -0.866) 9.643 10.853 ( -2.055 -1.187 2.269) 3.283 11.507 ( 1.495 0.863 -1.786) 2.484 13.276 ( 2.573 1.486 2.201) 3.698 14.758 ( -3.419 -1.974 -2.912) 4.905 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -2.944 -1.699 -0.296) 3.412 2.140 ( -9.834 -5.677 -7.310) 13.505 2.162 ( 0.964 0.557 0.004) 1.113 2.909 ( 6.692 3.864 -8.760) 11.681 3.752 ( -5.082 -2.934 4.868) 7.624 4.406 ( 0.359 0.207 -1.384) 1.444 4.831 ( -6.127 -3.538 3.112) 7.729 5.127 ( 2.177 1.257 -4.372) 5.043 5.493 ( 13.665 7.889 -2.212) 15.933 5.969 ( 1.688 0.975 2.317) 3.028 6.013 ( 23.857 13.774 8.179) 28.736 6.861 ( -7.113 -4.107 -8.488) 11.811 6.962 ( 21.420 12.367 6.472) 25.567 9.700 ( 17.883 10.325 -0.067) 20.650 10.788 ( -3.789 -2.188 1.789) 4.727 11.519 ( 0.671 0.387 -3.607) 3.690 13.370 ( 5.160 2.979 3.340) 6.831 14.662 ( -4.125 -2.381 -4.235) 6.374 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -0.000 22.352 12.410) 25.566 0.956 ( -0.000 19.096 9.745) 21.439 1.278 ( -0.000 9.432 20.443) 22.514 1.991 ( 0.000 1.852 -1.032) 2.120 2.207 ( 0.000 20.952 1.784) 21.028 4.175 ( 0.000 0.649 -1.798) 1.911 4.466 ( -0.000 -5.917 4.753) 7.589 4.862 ( -0.000 16.305 7.639) 18.006 5.184 ( 0.000 4.181 -7.298) 8.410 5.364 ( 0.000 10.212 -5.417) 11.559 6.945 ( -0.000 -1.707 3.864) 4.224 8.456 ( -0.000 -15.268 -2.819) 15.526 9.827 ( -0.000 -16.116 2.390) 16.293 10.778 ( 0.000 41.210 -19.386) 45.542 11.280 ( 0.000 -6.638 -2.182) 6.987 11.360 ( 0.000 6.455 -6.359) 9.061 13.284 ( 0.000 7.408 -2.994) 7.991 15.912 ( -0.000 -28.220 9.719) 29.847 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 1.429 10.952 11.932) 16.259 1.196 ( 4.219 18.206 9.337) 20.891 1.702 ( 21.887 19.296 5.098) 29.620 2.024 ( 1.567 2.729 -1.005) 3.304 2.570 ( 14.508 22.556 4.246) 27.153 4.184 ( 0.625 1.841 -1.874) 2.701 4.374 ( -8.893 -3.398 6.657) 11.617 4.956 ( -8.728 22.863 6.489) 25.318 5.201 ( 2.041 8.680 -11.950) 14.910 5.638 ( 17.706 9.400 -4.185) 20.478 6.915 ( -1.568 -7.105 12.152) 14.164 8.265 ( -5.716 -7.498 -10.744) 14.294 9.521 ( -14.319 -22.351 2.511) 26.663 11.010 ( 3.474 -6.761 -7.037) 10.359 11.142 ( -5.850 -9.369 -2.164) 11.255 11.480 ( 3.574 17.866 -19.727) 26.854 13.420 ( 5.589 11.811 -4.546) 13.835 15.575 ( -8.928 -27.305 12.789) 31.446 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 6.797 8.465 8.768) 13.955 1.475 ( 5.553 15.369 4.441) 16.934 2.063 ( 2.093 2.495 -0.971) 3.398 2.280 ( 22.231 15.445 -2.243) 27.163 3.093 ( 19.520 19.462 5.272) 28.064 4.187 ( -9.557 -1.224 4.344) 10.569 4.237 ( 0.971 4.872 2.009) 5.359 5.131 ( 0.563 22.897 1.987) 22.990 5.299 ( 3.406 7.640 -8.739) 12.097 6.048 ( 21.123 7.372 -2.668) 22.531 6.863 ( -1.699 -7.772 18.651) 20.277 8.013 ( -11.890 -7.142 -15.311) 20.659 8.947 ( -26.705 -25.265 2.738) 36.865 10.818 ( -9.197 -15.091 -1.811) 17.765 10.932 ( -4.884 -10.915 -2.676) 12.254 11.521 ( -3.377 2.712 -17.555) 18.082 13.598 ( 2.467 9.583 -3.599) 10.529 15.232 ( -6.964 -21.393 9.741) 24.516 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 10.032 8.677 3.596) 13.743 1.697 ( 3.516 12.202 2.653) 12.973 2.104 ( 0.931 1.974 -1.211) 2.496 2.723 ( 16.918 8.783 -6.918) 20.278 3.552 ( 10.199 13.347 3.356) 17.130 4.102 ( 0.853 2.233 7.119) 7.510 4.360 ( 5.009 6.599 3.773) 9.104 5.369 ( 4.793 8.776 0.565) 10.016 5.427 ( 4.270 14.498 -3.038) 15.416 6.410 ( 15.056 2.225 -1.522) 15.296 6.813 ( -3.217 -8.477 19.239) 21.269 7.604 ( -20.524 -9.474 -17.050) 28.314 8.184 ( -35.521 -23.236 2.956) 42.549 10.454 ( -13.662 -17.818 -1.167) 22.483 10.773 ( -1.789 -7.234 -1.932) 7.698 11.372 ( -5.356 -3.598 -13.352) 14.829 13.624 ( -6.500 4.110 -0.056) 7.691 15.006 ( -1.177 -15.801 4.140) 16.377 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 4.725 7.483 2.111) 9.099 1.880 ( 7.607 11.608 -1.006) 13.914 2.127 ( 0.323 1.656 -1.257) 2.104 2.949 ( 6.082 3.026 -10.486) 12.495 3.681 ( -2.662 6.986 4.074) 8.514 4.348 ( 15.867 5.359 7.969) 18.547 4.528 ( 4.956 5.553 5.811) 9.443 5.491 ( 4.424 2.575 2.283) 5.604 5.631 ( 3.393 8.742 -1.419) 9.484 6.514 ( -1.620 -8.197 2.729) 8.790 6.695 ( -8.174 -8.301 8.862) 14.638 7.072 ( -23.484 -6.690 -14.119) 28.206 7.390 ( -35.106 -14.152 3.316) 37.997 10.024 ( -14.742 -19.282 -1.332) 24.308 10.736 ( 1.585 0.865 -0.686) 1.931 11.241 ( 0.804 -5.924 -9.855) 11.527 13.495 ( -10.415 0.558 1.816) 10.587 14.894 ( 2.540 -12.552 0.453) 12.815 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.254 7.523 1.162) 7.616 2.083 ( 3.833 1.701 -2.813) 5.049 2.193 ( 5.902 10.165 -2.364) 11.989 2.931 ( -5.216 1.247 -10.713) 11.981 3.741 ( 1.254 5.104 5.139) 7.351 4.635 ( 2.129 0.964 6.077) 6.511 4.667 ( 11.588 3.048 6.211) 13.496 5.526 ( -3.020 -7.422 -4.227) 9.059 5.651 ( -4.011 0.325 1.139) 4.182 6.251 ( -15.683 -10.016 1.505) 18.670 6.349 ( -19.926 -3.575 -3.222) 20.499 6.666 ( -24.081 -0.519 6.751) 25.015 6.950 ( -5.667 -0.790 -3.762) 6.847 9.606 ( -11.720 -17.880 -1.650) 21.442 10.819 ( 1.919 8.316 0.716) 8.564 11.225 ( 8.162 -8.162 -6.258) 13.130 13.338 ( -7.673 -1.164 1.973) 8.008 14.829 ( 3.291 -11.447 -1.086) 11.960 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -1.745 5.722 -0.122) 5.983 2.101 ( 0.783 0.071 -1.224) 1.455 2.424 ( 7.283 12.557 -6.097) 15.745 2.774 ( -10.117 1.805 -8.533) 13.357 3.834 ( 2.592 3.089 3.756) 5.511 4.609 ( -5.538 -3.966 5.047) 8.477 4.845 ( 5.889 -1.157 1.892) 6.292 5.270 ( -8.959 -6.202 -7.077) 12.993 5.445 ( -15.701 -2.539 -11.266) 19.491 6.050 ( -18.783 5.824 7.518) 21.054 6.095 ( 2.051 0.480 6.243) 6.589 6.335 ( -15.555 -1.899 10.182) 18.688 6.954 ( 2.392 5.507 -8.799) 10.652 9.309 ( -3.593 -13.911 -1.493) 14.445 10.931 ( -1.370 11.374 1.721) 11.585 11.289 ( 11.005 -10.008 -3.219) 15.220 13.244 ( -2.245 -2.039 1.823) 3.539 14.767 ( 2.913 -11.252 -1.810) 11.763 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -3.267 3.718 -0.685) 4.997 2.120 ( 0.886 1.230 -1.060) 1.850 2.520 ( -10.199 6.205 -9.475) 15.241 2.690 ( 3.684 8.547 -5.218) 10.670 3.884 ( -0.904 0.465 2.604) 2.796 4.442 ( -5.873 -6.289 -0.951) 8.657 4.875 ( 0.787 -1.501 -2.615) 3.116 5.168 ( -0.733 -1.444 -6.559) 6.756 5.223 ( -5.485 10.261 -6.052) 13.115 5.879 ( -11.668 7.813 11.045) 17.866 6.075 ( -8.961 0.633 9.664) 13.195 6.344 ( 12.003 2.249 4.351) 12.963 7.024 ( -0.128 9.821 -8.627) 13.073 9.227 ( 7.836 -8.870 -1.085) 11.885 10.983 ( -6.039 10.329 2.067) 12.142 11.357 ( 9.819 -11.077 -1.885) 14.922 13.237 ( 2.581 -1.307 1.926) 3.476 14.694 ( 2.239 -11.297 -2.326) 11.750 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -4.413 3.000 -0.243) 5.342 2.136 ( -0.131 0.884 -2.450) 2.608 2.326 ( -13.293 4.430 -5.562) 15.076 2.848 ( 4.738 9.465 -8.060) 13.305 3.830 ( -4.834 -1.363 3.825) 6.313 4.357 ( 1.445 -3.305 -2.068) 4.158 4.854 ( -0.799 -3.298 0.291) 3.406 5.094 ( -0.364 -2.234 -3.695) 4.334 5.414 ( 8.023 15.821 -3.644) 18.110 5.931 ( 4.327 9.691 7.325) 12.895 6.026 ( -2.774 8.282 7.390) 11.441 6.608 ( 15.116 -2.585 0.074) 15.335 7.098 ( -2.558 18.126 -3.601) 18.656 9.394 ( 19.434 -3.953 -0.845) 19.850 10.944 ( -9.141 7.178 1.705) 11.747 11.388 ( 7.570 -10.840 -2.867) 13.529 13.316 ( 5.626 1.915 2.491) 6.444 14.606 ( 1.371 -11.379 -2.807) 11.800 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -0.000 8.266 13.715) 16.014 1.344 ( -0.000 15.237 4.264) 15.823 1.749 ( 0.000 27.831 2.502) 27.943 2.030 ( 0.000 2.644 -1.095) 2.861 2.705 ( 0.000 25.697 5.088) 26.195 4.198 ( 0.000 3.667 -1.755) 4.066 4.469 ( -0.000 2.373 2.900) 3.747 5.216 ( 0.000 12.899 -6.848) 14.604 5.383 ( -0.000 21.491 7.068) 22.623 5.491 ( 0.000 7.131 -11.346) 13.401 6.886 ( -0.000 -9.953 15.068) 18.059 8.200 ( 0.000 -7.059 -12.723) 14.550 9.384 ( -0.000 -30.697 2.310) 30.783 10.930 ( 0.000 -4.767 -4.461) 6.528 11.095 ( -0.000 -10.391 -1.700) 10.529 11.515 ( 0.000 8.318 -19.424) 21.130 13.489 ( 0.000 15.261 -5.603) 16.257 15.391 ( -0.000 -31.754 14.427) 34.878 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.127 8.742 8.237) 12.012 1.560 ( 5.121 13.215 4.464) 14.859 2.050 ( 2.329 5.663 -0.993) 6.204 2.145 ( 11.765 18.558 -1.977) 22.062 3.061 ( 10.618 22.989 5.922) 26.006 4.245 ( 0.259 5.632 -1.242) 5.773 4.415 ( -9.309 3.590 2.780) 10.357 5.310 ( 0.899 10.199 -8.187) 13.110 5.460 ( -6.087 19.332 0.656) 20.278 5.779 ( 16.087 11.726 -2.785) 20.101 6.835 ( 0.426 -12.356 19.197) 22.834 8.044 ( -5.623 -6.793 -15.539) 17.867 8.980 ( -10.297 -34.419 2.267) 35.998 10.803 ( -5.761 -9.925 -2.046) 11.657 10.912 ( -7.087 -12.280 -2.182) 14.345 11.497 ( 0.707 -2.660 -16.458) 16.687 13.650 ( 3.200 13.470 -5.798) 15.011 15.108 ( -3.547 -27.776 13.224) 30.967 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 5.638 9.305 4.194) 11.659 1.780 ( 4.244 12.777 3.189) 13.836 2.102 ( 1.261 2.062 -1.302) 2.746 2.525 ( 14.420 12.229 -5.712) 19.752 3.502 ( 14.348 17.899 5.631) 23.621 4.215 ( -8.330 2.969 0.319) 8.848 4.404 ( 0.654 9.043 4.825) 10.271 5.391 ( 1.259 6.246 -2.125) 6.717 5.570 ( -1.567 15.520 -0.980) 15.629 6.169 ( 16.805 10.069 -2.419) 19.740 6.785 ( 0.802 -14.064 19.666) 24.191 7.751 ( -13.782 -9.444 -16.728) 23.642 8.414 ( -19.356 -30.237 2.179) 35.968 10.519 ( -13.072 -14.122 -0.858) 19.262 10.680 ( -3.276 -12.503 -3.346) 13.351 11.374 ( -3.575 -6.515 -11.759) 13.911 13.766 ( -1.736 8.715 -2.997) 9.378 14.845 ( -1.901 -22.988 8.244) 24.495 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 8.092 8.796 1.150) 12.008 1.970 ( 2.045 13.799 1.665) 14.048 2.130 ( 0.833 1.568 -1.551) 2.358 2.804 ( 10.966 5.427 -8.187) 14.722 3.837 ( 1.248 13.367 3.600) 13.899 4.189 ( 5.932 2.081 4.947) 7.999 4.552 ( 3.104 8.654 6.510) 11.265 5.460 ( 2.322 1.602 1.175) 3.056 5.674 ( 0.660 6.636 -1.582) 6.854 6.451 ( 6.322 4.455 0.215) 7.737 6.701 ( -1.389 -14.190 14.578) 20.391 7.303 ( -19.258 -11.087 -15.615) 27.159 7.800 ( -25.960 -16.499 2.014) 30.826 10.116 ( -17.208 -14.844 -0.572) 22.733 10.568 ( 6.887 -13.042 -3.698) 15.206 11.213 ( -4.493 -3.880 -7.765) 9.774 13.720 ( -10.849 4.612 0.950) 11.826 14.668 ( 3.793 -20.098 2.226) 20.573 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 5.511 6.239 0.268) 8.329 2.090 ( -0.932 5.486 -1.365) 5.730 2.215 ( 4.036 13.085 -1.407) 13.765 2.940 ( 3.442 3.332 -9.097) 10.281 3.871 ( -6.775 8.845 4.688) 12.087 4.436 ( 15.347 -0.837 5.025) 16.170 4.688 ( 1.278 5.611 7.483) 9.440 5.469 ( -0.291 -7.081 -2.586) 7.544 5.696 ( -1.053 0.399 1.048) 1.538 6.388 ( -10.967 -10.785 5.397) 16.301 6.559 ( -9.076 -2.639 -3.159) 9.966 6.921 ( -8.910 -3.519 -6.790) 11.742 7.278 ( -26.913 0.715 4.413) 27.282 9.667 ( -17.580 -15.231 -0.763) 23.273 10.635 ( 17.007 -13.539 -3.581) 22.032 11.126 ( -2.423 2.443 -3.760) 5.097 13.532 ( -14.069 1.167 2.539) 14.343 14.580 ( 7.239 -18.938 -1.059) 20.302 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 1.869 3.642 -1.491) 4.356 2.095 ( -1.879 3.922 -0.145) 4.351 2.447 ( 5.127 17.722 -3.911) 18.859 2.931 ( -5.605 5.238 -8.097) 11.154 3.875 ( -2.334 4.798 4.823) 7.192 4.624 ( 6.107 -6.147 3.677) 9.412 4.750 ( 0.757 1.443 6.788) 6.981 5.285 ( -5.922 -9.086 -9.416) 14.363 5.638 ( -8.946 -0.980 -2.364) 9.304 6.110 ( -6.062 -4.522 1.569) 7.724 6.348 ( -12.238 -0.661 -0.334) 12.261 6.782 ( -17.361 6.364 6.401) 19.567 7.005 ( -8.687 11.187 -1.308) 14.225 9.262 ( -11.102 -15.467 -1.060) 19.068 10.807 ( 20.856 -17.085 -2.934) 27.120 11.149 ( -2.129 10.539 -0.262) 10.755 13.327 ( -9.903 -1.833 2.346) 10.341 14.519 ( 7.729 -18.819 -2.010) 20.444 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -2.012 2.264 -1.453) 3.359 2.144 ( -0.563 5.059 -0.718) 5.140 2.675 ( 2.456 17.092 -6.207) 18.349 2.822 ( -10.775 7.978 -5.766) 14.594 3.906 ( 0.049 1.536 3.485) 3.809 4.510 ( -8.433 -7.508 0.213) 11.293 4.809 ( 3.700 -3.696 3.244) 6.155 5.137 ( -1.616 -1.928 -10.767) 11.057 5.438 ( -10.251 6.568 -4.084) 12.841 6.093 ( -3.638 -1.295 5.369) 6.613 6.208 ( 1.750 1.542 -0.597) 2.408 6.519 ( -25.358 13.320 12.514) 31.258 7.110 ( 1.962 17.092 -5.321) 18.008 9.022 ( 0.807 -13.865 -0.976) 13.922 10.946 ( 18.744 -22.365 -2.069) 29.255 11.224 ( -5.492 15.820 1.371) 16.802 13.207 ( -1.837 -2.664 1.920) 3.762 14.456 ( 7.289 -18.885 -2.122) 20.354 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -3.016 2.182 -0.949) 3.842 2.171 ( -1.252 4.747 -1.547) 5.147 2.630 ( -15.549 9.967 -5.117) 19.165 2.882 ( 1.902 14.182 -6.675) 15.789 3.902 ( -2.807 -0.424 3.159) 4.247 4.329 ( -3.657 -4.059 -2.208) 5.892 4.813 ( 1.241 -5.745 3.023) 6.610 5.071 ( -1.106 -0.691 -7.039) 7.158 5.470 ( 1.810 13.181 -2.544) 13.546 6.009 ( -4.103 1.208 3.476) 5.512 6.322 ( -7.188 6.634 7.615) 12.396 6.389 ( 3.243 11.044 1.916) 11.668 7.307 ( -0.457 22.088 -3.164) 22.318 9.035 ( 14.205 -8.214 -0.943) 16.437 10.973 ( 11.825 -24.308 -2.001) 27.106 11.261 ( -7.032 12.996 0.984) 14.810 13.239 ( 5.682 1.270 1.922) 6.131 14.383 ( 6.505 -18.706 -1.929) 19.899 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -0.000 7.199 7.813) 10.625 1.603 ( 0.000 9.685 1.511) 9.802 2.072 ( 0.000 2.375 -1.137) 2.633 2.248 ( 0.000 21.576 -1.711) 21.644 3.214 ( -0.000 21.726 5.892) 22.511 4.310 ( 0.000 8.916 -0.975) 8.969 4.550 ( 0.000 4.248 -0.002) 4.248 5.390 ( 0.000 12.319 -10.118) 15.942 5.506 ( 0.000 3.058 -10.263) 10.709 5.910 ( -0.000 22.940 10.488) 25.224 6.752 ( -0.000 -16.343 19.702) 25.598 7.966 ( 0.000 -8.204 -16.055) 18.029 8.684 ( -0.000 -41.888 1.731) 41.924 10.764 ( -0.000 -9.579 -1.441) 9.687 10.884 ( -0.000 -9.497 -0.947) 9.544 11.360 ( 0.000 -9.097 -15.693) 18.139 13.712 ( 0.000 9.419 -7.145) 11.823 14.934 ( -0.000 -23.366 15.176) 27.862 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.867 8.691 4.144) 9.668 1.779 ( 7.865 7.649 1.952) 11.144 2.099 ( 0.900 1.981 -1.200) 2.485 2.473 ( 5.789 14.149 -2.969) 15.573 3.495 ( 8.048 16.855 5.245) 19.400 4.386 ( -3.848 9.830 -1.905) 10.727 4.530 ( -4.445 6.495 1.419) 7.997 5.438 ( -1.035 6.134 -4.083) 7.441 5.609 ( 6.737 4.277 -6.579) 10.342 6.159 ( 3.012 19.569 5.704) 20.604 6.661 ( 1.969 -18.633 18.709) 26.478 7.763 ( -6.804 -12.537 -15.856) 21.328 8.247 ( -2.730 -40.532 1.046) 40.638 10.553 ( -9.680 -17.192 -2.432) 19.879 10.715 ( -8.847 -3.869 -1.565) 9.782 11.260 ( 2.778 -9.301 -10.611) 14.381 13.784 ( 3.991 2.598 -6.690) 8.212 14.746 ( -5.251 -16.445 13.407) 21.857 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 5.058 9.261 1.960) 10.733 2.006 ( 8.840 8.966 1.369) 12.665 2.122 ( 0.419 1.087 -1.507) 1.905 2.683 ( 7.792 7.693 -4.335) 11.777 3.819 ( 12.134 10.197 4.302) 16.423 4.322 ( -10.764 8.250 -0.309) 13.565 4.617 ( 2.045 8.881 4.357) 10.101 5.448 ( -0.271 -1.484 0.996) 1.808 5.695 ( 1.613 2.105 -2.144) 3.410 6.425 ( 6.429 12.608 0.487) 14.161 6.578 ( 2.617 -18.246 15.573) 24.131 7.379 ( -12.853 -19.678 -12.854) 26.789 7.868 ( -4.726 -23.993 -1.676) 24.511 10.186 ( -8.022 -21.191 -2.744) 22.825 10.497 ( -13.692 -1.829 -1.841) 13.936 11.184 ( 0.611 -5.192 -6.381) 8.249 13.831 ( 2.346 -1.524 -4.548) 5.339 14.523 ( -7.832 -13.815 9.081) 18.293 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 5.757 7.256 0.547) 9.279 2.126 ( -0.298 1.122 -1.398) 1.817 2.263 ( 8.206 13.760 0.120) 16.022 2.852 ( 7.026 4.514 -5.091) 9.780 4.083 ( 3.706 7.208 3.639) 8.884 4.249 ( -1.329 2.884 2.301) 3.921 4.748 ( 1.818 6.701 6.173) 9.291 5.391 ( -0.895 -9.627 0.124) 9.669 5.712 ( -0.127 0.609 0.101) 0.630 6.427 ( -4.475 -14.205 8.156) 16.980 6.591 ( 1.292 -0.135 -0.532) 1.404 6.973 ( -8.690 -12.360 -8.549) 17.360 7.600 ( -9.746 -5.141 -0.690) 11.041 9.864 ( -11.788 -13.476 -1.189) 17.944 10.247 ( -2.808 -13.300 -3.175) 13.959 11.168 ( 1.186 3.108 -3.225) 4.633 13.771 ( -7.721 -1.271 -0.583) 7.846 14.305 ( -1.446 -17.121 3.046) 17.450 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 3.268 4.736 -1.011) 5.842 2.132 ( 0.170 1.731 -0.409) 1.787 2.544 ( 5.929 19.086 -1.483) 20.040 2.970 ( 3.550 4.710 -5.112) 7.805 4.058 ( -10.197 6.552 4.219) 12.834 4.384 ( 12.362 -6.503 1.810) 14.085 4.830 ( -1.565 3.435 8.364) 9.176 5.234 ( -3.007 -11.306 -6.400) 13.335 5.706 ( -1.617 -0.547 0.174) 1.716 6.191 ( -8.716 -9.447 2.231) 13.046 6.480 ( -7.724 -5.688 -3.966) 10.379 6.874 ( 2.207 3.398 -1.640) 4.371 7.431 ( -13.890 9.320 3.958) 17.190 9.454 ( -23.915 -6.193 -0.702) 24.713 10.198 ( 19.710 -26.318 -3.186) 33.034 11.267 ( 2.456 11.774 -0.802) 12.054 13.552 ( -15.608 -1.282 2.094) 15.800 14.173 ( 6.887 -21.143 -1.173) 22.268 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -0.981 2.927 -1.880) 3.615 2.182 ( 1.543 3.267 0.032) 3.613 2.804 ( 2.405 20.454 -3.162) 20.836 3.022 ( -3.141 8.225 -4.421) 9.852 3.972 ( -5.698 1.768 3.933) 7.146 4.457 ( 4.856 -11.196 -0.919) 12.238 4.799 ( -4.888 -2.455 8.760) 10.327 5.105 ( -0.229 -1.704 -11.150) 11.282 5.617 ( -6.963 0.504 -1.533) 7.148 6.083 ( 0.811 0.282 2.105) 2.274 6.275 ( -7.751 -5.384 -2.252) 9.702 6.971 ( -4.559 10.688 2.874) 11.970 7.364 ( -10.326 22.328 3.453) 24.841 9.014 ( -16.656 -8.944 -1.184) 18.943 10.301 ( 24.731 -30.814 -2.065) 39.565 11.442 ( 0.169 17.143 0.563) 17.153 13.296 ( -11.409 -2.566 2.001) 11.864 14.095 ( 9.407 -22.651 -1.959) 24.604 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -2.119 2.610 -1.224) 3.578 2.225 ( -0.108 3.356 -0.905) 3.478 2.950 ( -8.041 13.337 -4.380) 16.178 3.025 ( -4.265 15.991 -3.857) 16.994 3.934 ( -1.122 -0.752 3.222) 3.494 4.340 ( -3.295 -8.597 -3.680) 9.915 4.740 ( 0.094 -6.857 6.823) 9.674 5.079 ( -0.951 3.048 -8.169) 8.771 5.565 ( -1.715 6.491 -1.031) 6.792 6.099 ( -5.355 -1.596 0.341) 5.598 6.201 ( 7.177 1.319 0.332) 7.305 6.873 ( -19.157 13.760 7.100) 24.632 7.552 ( -2.458 27.760 -0.932) 27.884 8.800 ( 3.076 -6.162 -1.190) 6.989 10.378 ( 21.862 -34.029 -1.802) 40.487 11.552 ( -7.754 15.742 0.810) 17.567 13.193 ( 0.716 0.982 1.520) 1.946 14.031 ( 9.778 -22.692 -1.520) 24.756 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -0.000 7.805 4.080) 8.808 1.757 ( 0.000 5.903 0.467) 5.921 2.104 ( 0.000 1.570 -1.124) 1.931 2.541 ( 0.000 9.533 -0.786) 9.565 3.594 ( 0.000 13.792 3.188) 14.156 4.521 ( 0.000 12.866 -1.469) 12.949 4.632 ( 0.000 4.847 -1.174) 4.987 5.489 ( 0.000 -1.218 -2.245) 2.554 5.561 ( 0.000 10.538 -6.685) 12.480 6.329 ( -0.000 12.305 7.535) 14.428 6.506 ( -0.000 -20.383 16.140) 26.000 7.641 ( 0.000 -14.732 -15.605) 21.461 7.817 ( -0.000 -46.706 1.210) 46.722 10.475 ( -0.000 -20.110 -4.764) 20.666 10.746 ( -0.000 -3.614 -0.456) 3.643 11.128 ( 0.000 -2.915 -7.260) 7.824 13.700 ( 0.000 -5.316 -6.735) 8.580 14.739 ( -0.000 -6.881 13.468) 15.124 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 1.699 8.915 2.743) 9.481 1.901 ( 9.076 4.429 0.438) 10.109 2.122 ( 0.797 1.343 -1.125) 1.925 2.644 ( 4.151 4.776 0.109) 6.329 3.763 ( 5.705 8.659 1.179) 10.436 4.584 ( -7.890 10.742 -1.725) 13.440 4.674 ( 1.393 6.997 1.240) 7.241 5.437 ( -1.737 -6.276 3.030) 7.182 5.669 ( 3.073 4.415 -2.862) 6.093 6.390 ( 3.033 -18.196 12.530) 22.300 6.455 ( 2.981 6.587 2.212) 7.560 7.273 ( -7.606 -30.861 -5.813) 32.312 7.545 ( 8.155 -26.212 -7.561) 28.473 10.112 ( -11.435 -24.275 -4.568) 27.219 10.722 ( -4.840 4.325 -0.519) 6.511 11.097 ( -0.091 -1.397 -4.224) 4.450 13.657 ( 5.409 -9.290 -5.691) 12.164 14.658 ( -9.281 -2.919 10.873) 14.591 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 3.506 6.932 1.949) 8.009 2.105 ( 5.443 0.839 -1.436) 5.692 2.194 ( 9.324 8.139 0.256) 12.379 2.775 ( 6.549 3.248 0.204) 7.313 3.947 ( 9.141 2.307 0.125) 9.428 4.506 ( -11.760 8.687 1.732) 14.723 4.784 ( 2.833 5.748 2.121) 6.750 5.319 ( -2.646 -13.009 4.791) 14.114 5.709 ( 0.833 -0.595 -0.258) 1.056 6.313 ( 2.111 -15.787 7.567) 17.634 6.548 ( 2.940 -1.164 -2.195) 3.849 6.906 ( -3.632 -18.108 -2.107) 18.588 7.469 ( 10.263 -15.228 -7.941) 20.007 9.699 ( -5.701 -24.899 -2.633) 25.679 10.569 ( -22.045 8.457 -0.152) 23.612 11.115 ( 5.281 1.080 -2.840) 6.093 13.643 ( 6.846 -12.260 -4.483) 14.740 14.440 ( -16.731 -2.603 7.655) 18.583 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 4.061 3.703 0.998) 5.586 2.141 ( 0.683 1.782 -1.102) 2.203 2.530 ( 14.552 13.364 0.025) 19.757 2.919 ( 6.121 4.040 -0.301) 7.340 4.103 ( 9.637 -3.934 -0.116) 10.410 4.374 ( -12.865 5.466 3.186) 14.337 4.889 ( 2.286 4.173 4.641) 6.647 5.142 ( -2.912 -14.266 0.099) 14.560 5.704 ( 0.438 -2.556 -0.050) 2.594 6.186 ( -2.058 -11.674 2.569) 12.130 6.480 ( -3.031 -9.040 -3.754) 10.247 6.842 ( 4.617 2.114 1.910) 5.425 7.522 ( 7.614 -2.926 -4.931) 9.531 9.459 ( 6.610 -25.019 -1.139) 25.902 10.165 ( -31.394 3.971 -0.068) 31.644 11.274 ( 8.174 8.687 -1.407) 12.011 13.602 ( 4.206 -13.635 -2.878) 14.556 14.117 ( -18.325 -5.407 4.344) 19.594 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 2.336 2.496 -0.381) 3.440 2.171 ( 1.020 2.505 -0.070) 2.706 2.900 ( 10.654 17.484 -0.494) 20.480 3.051 ( 4.237 5.540 -0.987) 7.044 4.136 ( -4.862 -3.191 1.745) 6.072 4.251 ( 0.261 -4.881 0.483) 4.912 4.902 ( -6.600 -5.725 8.701) 12.330 5.027 ( 3.915 -0.481 -8.086) 8.997 5.668 ( -1.390 -2.735 -0.323) 3.085 6.096 ( -0.728 -1.104 1.191) 1.779 6.304 ( -5.095 -8.953 -2.190) 10.531 7.039 ( 6.974 11.472 1.012) 13.464 7.623 ( 3.178 9.675 -0.172) 10.185 9.329 ( -7.741 -13.171 -0.395) 15.282 9.703 ( -8.327 -16.161 -0.590) 18.190 11.530 ( 8.158 14.612 -0.254) 16.737 13.476 ( -6.593 -8.457 -0.109) 10.724 13.804 ( -6.243 -14.049 0.474) 15.381 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -1.329 2.745 -0.303) 3.064 2.228 ( 2.121 1.787 -0.616) 2.841 3.133 ( -1.224 11.460 -1.833) 11.670 3.208 ( 3.115 14.617 -1.260) 14.998 3.992 ( -6.824 -1.408 2.726) 7.482 4.210 ( 3.310 -11.995 -2.822) 12.759 4.748 ( -4.871 -6.546 3.638) 8.934 5.091 ( 1.747 4.643 -3.788) 6.242 5.626 ( -1.434 0.564 -0.216) 1.556 6.142 ( -4.245 -5.973 -1.364) 7.454 6.151 ( 3.450 5.552 0.880) 6.596 7.164 ( -3.597 4.669 2.233) 6.303 7.888 ( 2.687 29.262 1.237) 29.411 8.904 ( -22.461 -1.564 -0.854) 22.532 9.631 ( 22.241 -35.312 -1.023) 41.745 11.774 ( 1.096 15.037 0.308) 15.080 13.272 ( -8.603 -0.218 1.114) 8.678 13.653 ( 6.915 -20.446 -1.145) 21.614 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.000 3.724 0.350) 3.740 1.892 ( -0.000 8.623 3.579) 9.336 2.118 ( 0.000 0.598 -0.983) 1.151 2.632 ( -0.000 0.008 2.578) 2.578 3.796 ( 0.000 7.023 -1.519) 7.185 4.717 ( 0.000 3.684 0.694) 3.749 4.748 ( 0.000 9.736 -2.002) 9.940 5.387 ( -0.000 -11.490 7.245) 13.583 5.668 ( 0.000 0.703 -1.765) 1.900 6.244 ( -0.000 -12.176 7.147) 14.119 6.441 ( -0.000 -4.299 0.398) 4.317 6.995 ( -0.000 -34.338 3.666) 34.533 7.199 ( 0.000 -19.906 -14.057) 24.369 9.975 ( -0.000 -24.783 -5.257) 25.334 10.743 ( 0.000 3.203 -0.516) 3.245 11.153 ( 0.000 6.423 -1.376) 6.569 13.504 ( 0.000 -8.712 -4.835) 9.964 14.762 ( -0.000 -0.491 9.325) 9.337 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 8.212 2.407 0.069) 8.558 1.983 ( 0.534 6.577 3.339) 7.395 2.156 ( 3.947 3.806 -0.114) 5.484 2.679 ( 5.734 -1.988 3.681) 7.098 3.873 ( 3.211 3.990 -2.688) 5.784 4.728 ( -4.957 2.327 4.886) 7.339 4.790 ( 0.738 3.542 -3.351) 4.932 5.259 ( -3.311 -13.660 8.700) 16.530 5.638 ( 2.582 -10.412 0.288) 10.732 6.178 ( 0.421 -7.698 3.112) 8.314 6.427 ( 5.685 -6.858 -5.029) 10.229 6.765 ( 0.767 -14.942 6.260) 16.218 7.043 ( 10.758 -20.448 -12.286) 26.169 9.625 ( -10.570 -21.337 -2.903) 23.988 10.842 ( 3.497 7.425 -0.635) 8.232 11.130 ( -8.580 5.224 -0.680) 10.068 13.436 ( 2.844 -8.730 -3.989) 10.011 14.695 ( -10.583 -0.580 7.027) 12.717 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 1.707 2.229 2.156) 3.540 2.110 ( 5.220 0.960 -0.755) 5.361 2.387 ( 13.944 10.774 1.921) 17.726 2.807 ( 9.648 -1.438 3.695) 10.431 3.954 ( 4.752 0.253 -2.766) 5.505 4.618 ( -9.702 -1.646 5.755) 11.400 4.850 ( 4.787 0.573 -2.548) 5.453 5.093 ( -4.969 -10.184 6.739) 13.184 5.595 ( 5.746 -11.906 1.053) 13.261 6.121 ( -1.128 -3.612 0.680) 3.845 6.393 ( 0.968 -9.858 -4.202) 10.760 6.778 ( 6.041 0.722 5.696) 8.334 7.121 ( 22.451 -13.971 -10.782) 28.557 9.255 ( -8.546 -18.310 -0.404) 20.210 10.766 ( -26.191 10.066 0.887) 28.072 11.164 ( 10.737 4.609 -1.604) 11.794 13.383 ( 3.124 -10.549 -3.076) 11.424 14.450 ( -19.224 -1.469 4.672) 19.838 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 3.515 0.860 1.237) 3.825 2.182 ( 1.934 2.393 0.062) 3.078 2.778 ( 17.412 11.279 1.971) 20.839 2.986 ( 10.043 1.423 2.764) 10.513 4.005 ( 4.118 -4.039 -2.662) 6.352 4.429 ( -11.585 -3.056 4.592) 12.831 4.881 ( 0.150 -7.053 -7.313) 10.161 5.000 ( 0.124 0.949 9.289) 9.339 5.605 ( 4.807 -5.991 0.870) 7.730 6.093 ( -0.283 1.395 -0.037) 1.424 6.269 ( -2.225 -9.817 -1.028) 10.119 6.984 ( 11.066 5.960 0.522) 12.580 7.411 ( 23.892 -1.306 -5.878) 24.639 9.004 ( 0.609 -19.240 0.867) 19.269 10.285 ( -38.857 6.154 1.119) 39.357 11.450 ( 14.372 8.903 -0.927) 16.931 13.317 ( 3.176 -11.582 -2.127) 12.196 14.072 ( -23.780 -2.753 2.680) 24.088 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -0.000 2.138 0.693) 2.247 2.094 ( -0.000 8.771 5.967) 10.608 2.117 ( 0.000 0.062 -0.742) 0.744 2.605 ( -0.000 -4.643 4.779) 6.663 3.878 ( 0.000 3.834 -3.631) 5.280 4.761 ( 0.000 -0.193 -2.964) 2.970 4.781 ( -0.000 -9.131 9.212) 12.970 5.224 ( -0.000 -6.028 6.421) 8.807 5.435 ( -0.000 -22.420 0.657) 22.429 6.171 ( 0.000 1.979 -0.167) 1.986 6.253 ( 0.000 -7.714 -9.439) 12.190 6.674 ( -0.000 -6.539 11.182) 12.954 6.717 ( 0.000 -19.672 -12.185) 23.140 9.532 ( -0.000 -16.843 -2.101) 16.974 10.830 ( 0.000 5.242 -1.157) 5.368 11.296 ( 0.000 7.376 0.613) 7.401 13.342 ( 0.000 -4.721 -3.344) 5.786 14.800 ( -0.000 -1.141 5.560) 5.676 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 6.783 0.585 0.253) 6.813 2.069 ( -1.991 1.401 2.206) 3.285 2.306 ( 9.388 8.678 4.721) 13.629 2.632 ( 6.986 -5.113 5.031) 10.013 3.911 ( 1.466 2.415 -3.530) 4.521 4.644 ( -1.960 -15.486 6.435) 16.884 4.792 ( 1.842 0.645 2.828) 3.436 5.150 ( -5.338 -1.963 1.999) 6.029 5.314 ( 8.852 -17.109 2.817) 19.468 6.174 ( -2.216 5.450 -1.536) 6.080 6.219 ( 5.345 -9.119 -8.823) 13.769 6.570 ( 9.519 -17.347 -11.833) 23.056 6.753 ( 7.733 2.580 10.689) 13.443 9.296 ( -10.311 -10.735 -0.300) 14.888 10.965 ( 9.743 5.133 -1.438) 11.106 11.245 ( -13.861 5.620 0.961) 14.988 13.290 ( -0.698 -3.713 -2.644) 4.612 14.707 ( -10.869 -2.011 3.899) 11.721 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 2.261 -0.251 1.448) 2.697 2.136 ( 5.450 1.456 0.814) 5.699 2.618 ( 14.645 9.334 5.053) 18.087 2.770 ( 12.799 -4.323 4.646) 14.286 3.940 ( 1.384 0.305 -3.229) 3.526 4.486 ( -2.617 -12.406 5.286) 13.737 4.834 ( 0.138 0.444 -2.001) 2.054 5.054 ( -4.197 -0.855 5.519) 6.986 5.402 ( 12.121 -5.322 3.043) 13.583 6.144 ( -1.076 -2.699 -4.632) 5.468 6.202 ( -1.091 0.808 0.503) 1.448 6.643 ( 21.552 -14.475 -12.118) 28.651 7.054 ( 17.493 9.928 5.765) 20.924 9.013 ( -12.544 -6.254 0.781) 14.039 10.928 ( -28.746 5.157 1.542) 29.246 11.239 ( 16.109 3.252 -1.449) 16.498 13.227 ( -1.502 -3.213 -2.003) 4.073 14.433 ( -19.744 -2.709 2.493) 20.084 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -0.000 0.301 1.004) 1.048 2.118 ( 0.000 0.612 -0.444) 0.756 2.285 ( -0.000 3.367 9.913) 10.469 2.555 ( -0.000 -1.416 4.583) 4.797 3.909 ( 0.000 1.535 -3.270) 3.612 4.529 ( -0.000 -14.437 6.771) 15.946 4.793 ( -0.000 0.026 6.085) 6.085 5.073 ( -0.000 -10.740 2.706) 11.075 5.205 ( 0.000 -0.794 -0.214) 0.822 6.013 ( 0.000 -7.931 -14.195) 16.260 6.249 ( 0.000 -1.978 -8.078) 8.316 6.350 ( 0.000 -1.117 -4.797) 4.925 6.754 ( -0.000 2.840 13.944) 14.230 9.322 ( -0.000 -3.848 0.542) 3.886 10.896 ( 0.000 2.065 -1.994) 2.870 11.421 ( -0.000 4.430 1.438) 4.658 13.278 ( 0.000 -0.159 -2.203) 2.209 14.788 ( -0.000 -2.955 2.956) 4.180 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 5.186 -0.882 0.420) 5.277 2.105 ( -0.287 1.085 2.012) 2.303 2.434 ( 12.075 -4.016 7.596) 14.820 2.636 ( 5.452 5.820 5.570) 9.727 3.912 ( 0.941 -0.780 -2.942) 3.186 4.414 ( -1.668 -9.362 4.869) 10.684 4.831 ( 1.152 0.600 4.907) 5.076 5.138 ( -3.040 -0.158 0.408) 3.072 5.173 ( 11.298 0.878 4.112) 12.055 5.988 ( 7.756 -5.818 -10.712) 14.449 6.181 ( 7.530 -8.984 -11.466) 16.398 6.372 ( -5.531 10.392 -1.270) 11.840 6.931 ( 11.324 6.297 10.133) 16.449 9.216 ( -11.424 2.322 1.039) 11.703 11.004 ( 11.643 -0.083 -1.982) 11.810 11.339 ( -14.513 2.840 1.861) 14.905 13.256 ( -2.460 1.570 -1.911) 3.488 14.671 ( -10.790 -3.610 2.245) 11.597 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -0.000 -1.567 0.848) 1.781 2.136 ( 0.000 1.354 -0.122) 1.360 2.281 ( -0.000 -8.462 9.271) 12.552 2.685 ( -0.000 8.747 7.067) 11.245 3.872 ( 0.000 -3.416 -2.990) 4.540 4.395 ( -0.000 -3.173 4.611) 5.597 4.854 ( -0.000 1.580 5.195) 5.430 5.129 ( -0.000 13.144 4.642) 13.940 5.152 ( 0.000 -3.763 -1.175) 3.942 5.837 ( 0.000 1.696 -14.156) 14.257 6.033 ( 0.000 -5.638 -7.273) 9.203 6.576 ( 0.000 18.277 -4.303) 18.776 6.877 ( -0.000 -0.505 12.037) 12.048 9.389 ( 0.000 9.837 1.376) 9.933 10.876 ( 0.000 -2.517 -2.312) 3.417 11.486 ( -0.000 1.266 2.343) 2.663 13.297 ( 0.000 3.269 -2.021) 3.843 14.732 ( -0.000 -4.308 2.311) 4.889 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -0.000 0.000 14.287) 14.287 0.728 ( -0.000 0.000 14.287) 14.287 1.324 ( -0.000 0.000 28.544) 28.544 1.969 ( 0.000 -0.000 -1.074) 1.074 1.969 ( 0.000 -0.000 -1.074) 1.074 4.162 ( 0.000 -0.000 -2.530) 2.530 4.657 ( -0.000 0.000 5.681) 5.681 4.657 ( -0.000 0.000 5.681) 5.681 5.194 ( 0.000 -0.000 -5.176) 5.176 5.194 ( 0.000 -0.000 -5.176) 5.176 6.908 ( -0.000 0.000 0.457) 0.457 8.799 ( -0.000 0.000 3.848) 3.848 9.990 ( -0.000 0.000 2.311) 2.311 9.990 ( -0.000 0.000 2.311) 2.311 11.343 ( 0.000 -0.000 -2.275) 2.275 11.343 ( 0.000 -0.000 -2.275) 2.275 13.214 ( 0.000 -0.000 -2.247) 2.247 16.220 ( -0.000 0.000 0.187) 0.187 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 12.538 7.239 10.682) 17.992 1.056 ( 11.995 6.925 13.756) 19.521 1.476 ( 12.347 7.129 14.233) 20.146 1.984 ( 1.581 0.913 -0.998) 2.080 2.227 ( 19.927 11.505 3.127) 23.221 4.158 ( 0.503 0.290 -3.035) 3.090 4.607 ( -13.516 -7.803 13.545) 20.665 4.642 ( 3.030 1.749 3.802) 5.167 5.063 ( 1.447 0.835 -10.178) 10.314 5.439 ( 16.026 9.253 -3.636) 18.860 6.980 ( 2.554 1.474 3.247) 4.386 8.443 ( -17.360 -10.023 -1.384) 20.093 9.829 ( -14.610 -8.435 2.402) 17.040 10.736 ( 40.980 23.660 -14.044) 49.359 11.266 ( -5.709 -3.296 -2.684) 7.117 11.280 ( -5.153 -2.975 -2.192) 6.341 13.265 ( 5.656 3.265 -2.702) 7.067 15.992 ( -17.617 -10.171 5.339) 21.031 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 13.884 8.016 5.987) 17.114 1.269 ( 6.177 3.566 13.421) 15.198 1.975 ( 25.393 14.661 -0.709) 29.330 2.025 ( 2.169 1.252 -0.922) 2.669 2.768 ( 25.151 14.521 5.456) 29.550 4.175 ( 2.235 1.290 -2.307) 3.462 4.313 ( -13.452 -7.766 11.887) 19.559 4.809 ( 10.594 6.116 2.056) 12.404 5.153 ( 7.277 4.201 -8.781) 12.154 5.853 ( 20.623 11.907 -2.739) 23.970 7.002 ( -2.224 -1.284 13.137) 13.386 8.110 ( -12.308 -7.106 -11.603) 18.347 9.361 ( -27.410 -15.825 2.624) 31.759 11.038 ( -10.921 -6.305 -1.053) 12.655 11.110 ( -8.912 -5.145 -1.875) 10.460 11.315 ( 12.426 7.174 -18.195) 23.172 13.437 ( 9.101 5.255 -3.315) 11.020 15.586 ( -18.700 -10.796 7.250) 22.777 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 9.169 5.293 7.279) 12.848 1.522 ( 9.979 5.762 3.449) 12.028 2.069 ( 1.912 1.104 -0.941) 2.400 2.496 ( 20.860 12.043 -6.322) 24.902 3.316 ( 20.187 11.655 3.744) 23.609 4.129 ( -4.435 -2.560 8.768) 10.154 4.268 ( 5.904 3.409 2.031) 7.114 5.105 ( 14.728 8.503 0.385) 17.011 5.294 ( 6.876 3.970 -3.278) 8.589 6.289 ( 17.597 10.160 -2.394) 20.460 6.985 ( -4.403 -2.542 19.053) 19.720 7.740 ( -17.360 -10.023 -16.598) 26.025 8.640 ( -36.864 -21.283 2.881) 42.664 10.730 ( -15.675 -9.050 -0.369) 18.103 10.896 ( -8.878 -5.126 -1.222) 10.324 11.352 ( -1.426 -0.823 -14.557) 14.650 13.569 ( 2.064 1.192 -0.858) 2.533 15.247 ( -12.486 -7.209 3.390) 14.811 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 6.573 3.795 2.046) 7.860 1.720 ( 11.004 6.353 2.036) 12.869 2.101 ( 1.162 0.671 -0.953) 1.645 2.829 ( 10.568 6.101 -10.495) 16.095 3.596 ( 4.501 2.599 2.457) 5.749 4.252 ( 12.029 6.945 10.623) 17.487 4.442 ( 7.908 4.566 4.208) 10.054 5.432 ( 13.353 7.709 -0.568) 15.429 5.435 ( 5.874 3.391 1.288) 6.904 6.566 ( 6.582 3.800 -2.919) 8.142 6.896 ( -10.278 -5.934 19.010) 22.410 7.218 ( -23.093 -13.333 -17.588) 31.944 7.774 ( -39.412 -22.755 3.048) 45.611 10.338 ( -18.999 -10.969 -0.190) 21.939 10.740 ( -4.156 -2.399 -0.222) 4.804 11.265 ( -0.937 -0.541 -11.354) 11.405 13.522 ( -5.493 -3.171 1.860) 6.609 15.051 ( -5.830 -3.366 -0.707) 6.769 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 4.422 2.553 0.957) 5.196 1.975 ( 11.554 6.671 -2.071) 13.501 2.114 ( 0.241 0.139 -0.756) 0.806 2.891 ( -0.988 -0.570 -12.071) 12.125 3.682 ( 3.629 2.095 5.193) 6.673 4.591 ( 12.252 7.074 8.070) 16.287 4.610 ( 5.525 3.190 5.079) 8.155 5.552 ( 3.415 1.971 -0.371) 3.960 5.637 ( 2.853 1.647 0.095) 3.295 6.481 ( -15.794 -9.119 -1.891) 18.336 6.520 ( -23.949 -13.827 -7.188) 28.573 6.761 ( -14.826 -8.560 8.963) 19.324 7.053 ( -19.439 -11.223 0.209) 22.447 9.899 ( -19.037 -10.991 -0.787) 21.996 10.718 ( 1.870 1.080 0.905) 2.342 11.263 ( 3.459 1.997 -7.666) 8.644 13.386 ( -6.321 -3.650 2.521) 7.722 14.954 ( -2.947 -1.702 -2.367) 4.146 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 2.581 1.490 -0.186) 2.986 2.111 ( -0.183 -0.106 -0.206) 0.295 2.216 ( 10.840 6.259 -5.753) 13.776 2.761 ( -6.166 -3.560 -10.008) 12.282 3.791 ( 4.145 2.393 4.596) 6.636 4.666 ( -1.417 -0.818 5.380) 5.623 4.835 ( 6.009 3.469 3.186) 7.635 5.458 ( -17.392 -10.041 -1.653) 20.150 5.470 ( -10.219 -5.900 -14.642) 18.805 6.081 ( -14.181 -8.188 7.845) 18.157 6.135 ( -4.646 -2.682 2.301) 5.837 6.470 ( -14.164 -8.178 11.627) 20.067 6.873 ( -0.126 -0.073 -8.500) 8.501 9.523 ( -13.195 -7.618 -1.237) 15.286 10.798 ( 3.973 2.294 1.823) 4.937 11.346 ( 5.048 2.915 -4.139) 7.149 13.283 ( -3.233 -1.867 2.300) 4.385 14.886 ( -2.566 -1.481 -2.654) 3.978 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 0.335 0.193 -1.032) 1.102 2.114 ( 0.570 0.329 0.326) 0.735 2.389 ( 4.448 2.568 -10.725) 11.891 2.607 ( -2.484 -1.434 -5.656) 6.341 3.877 ( 1.829 1.056 3.145) 3.788 4.558 ( -8.766 -5.061 0.100) 10.122 4.868 ( -0.726 -0.419 -6.827) 6.878 5.106 ( -8.523 -4.921 -3.937) 10.600 5.229 ( -4.459 -2.574 -6.171) 8.037 5.876 ( -7.988 -4.612 13.497) 16.348 6.155 ( -5.373 -3.102 10.137) 11.885 6.302 ( 3.912 2.259 5.540) 7.148 6.884 ( 2.787 1.609 -12.189) 12.606 9.331 ( -3.005 -1.735 -1.267) 3.694 10.875 ( 1.642 0.948 2.322) 2.997 11.439 ( 3.695 2.133 -2.080) 4.747 13.257 ( 0.107 0.062 2.044) 2.048 14.815 ( -3.014 -1.740 -2.539) 4.308 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -0.000 16.290 7.547) 17.954 1.055 ( -0.000 22.820 11.382) 25.502 1.461 ( -0.000 0.986 15.810) 15.841 1.980 ( 0.000 1.871 -1.112) 2.176 2.235 ( 0.000 22.767 3.810) 23.083 4.148 ( 0.000 0.909 -3.432) 3.550 4.520 ( -0.000 -6.996 6.136) 9.306 4.930 ( -0.000 15.495 5.250) 16.360 5.120 ( 0.000 4.897 -4.636) 6.744 5.302 ( 0.000 8.002 -7.050) 10.665 6.980 ( -0.000 3.057 3.112) 4.363 8.439 ( -0.000 -21.854 -0.841) 21.870 9.850 ( -0.000 -16.082 2.162) 16.227 10.640 ( 0.000 37.791 -9.153) 38.883 11.259 ( 0.000 -6.508 -1.964) 6.798 11.309 ( 0.000 0.442 -4.335) 4.357 13.256 ( 0.000 6.558 -2.608) 7.058 15.983 ( -0.000 -22.826 5.248) 23.421 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 3.196 15.225 5.912) 16.642 1.320 ( 1.662 10.462 13.688) 17.308 1.732 ( 18.728 15.666 0.813) 24.429 2.014 ( 1.611 2.685 -1.016) 3.292 2.621 ( 14.816 23.092 5.842) 28.051 4.159 ( 0.913 2.497 -2.975) 3.990 4.440 ( -6.483 -6.089 6.470) 10.999 5.028 ( -12.384 22.616 6.993) 26.716 5.092 ( 3.383 8.225 -9.074) 12.705 5.588 ( 19.443 8.340 -5.712) 21.914 7.027 ( 1.088 -1.640 10.215) 10.403 8.167 ( -8.091 -12.145 -8.781) 17.031 9.546 ( -14.145 -22.347 2.246) 26.542 10.949 ( 6.385 -1.849 -4.913) 8.265 11.122 ( -6.206 -9.271 -1.949) 11.326 11.330 ( 0.936 12.036 -11.299) 16.535 13.381 ( 5.479 10.748 -3.345) 12.520 15.674 ( -9.367 -24.560 7.473) 27.327 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 5.689 6.656 6.890) 11.142 1.527 ( 4.157 13.819 6.025) 15.638 2.053 ( 2.085 2.413 -0.938) 3.324 2.242 ( 20.521 14.418 -5.258) 25.625 3.147 ( 18.805 19.505 5.182) 27.584 4.197 ( -1.102 0.697 -0.978) 1.629 4.290 ( -4.727 1.638 7.081) 8.670 5.158 ( -1.307 23.276 2.618) 23.459 5.234 ( 5.200 8.003 -3.591) 10.197 6.011 ( 22.473 6.924 -4.815) 24.003 7.046 ( -0.401 -5.362 17.815) 18.609 7.858 ( -13.040 -8.839 -15.562) 22.144 8.973 ( -26.504 -25.292 2.483) 36.720 10.810 ( -8.548 -15.193 0.083) 17.433 10.903 ( -4.630 -10.976 -3.081) 12.305 11.373 ( -3.072 3.724 -12.044) 12.976 13.569 ( 3.866 9.658 -2.263) 10.647 15.305 ( -9.262 -20.710 5.063) 23.245 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 8.528 7.061 3.033) 11.480 1.727 ( 2.735 11.649 3.317) 12.417 2.094 ( 0.925 1.783 -0.929) 2.213 2.643 ( 15.373 8.369 -8.769) 19.578 3.579 ( 8.772 13.501 2.054) 16.231 4.176 ( 4.124 0.961 7.484) 8.599 4.404 ( 5.185 7.868 4.975) 10.656 5.382 ( 4.863 6.596 1.637) 8.357 5.406 ( 4.973 17.063 -0.695) 17.786 6.384 ( 15.938 2.759 -3.666) 16.585 7.009 ( -4.007 -9.372 20.011) 22.457 7.428 ( -20.610 -9.332 -18.417) 29.173 8.213 ( -35.300 -23.321 2.661) 42.392 10.452 ( -13.793 -18.028 0.778) 22.713 10.753 ( -0.685 -7.901 -2.098) 8.204 11.256 ( -5.218 -2.138 -9.843) 11.344 13.629 ( -5.115 4.531 1.154) 6.930 15.027 ( -3.285 -15.692 0.036) 16.032 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 7.856 6.428 0.735) 10.177 1.873 ( 2.480 11.221 0.249) 11.494 2.117 ( 0.460 1.517 -0.791) 1.772 2.841 ( 4.962 3.502 -10.923) 12.498 3.720 ( -1.199 7.612 3.646) 8.525 4.427 ( 15.615 3.642 7.777) 17.820 4.587 ( 4.891 6.575 5.734) 10.002 5.504 ( 3.850 1.758 0.246) 4.239 5.622 ( 3.976 8.721 -0.200) 9.587 6.518 ( 0.341 -4.194 -1.144) 4.360 6.754 ( -20.435 -15.114 -1.398) 25.456 6.983 ( -13.761 -4.408 -0.154) 14.450 7.421 ( -35.185 -13.773 2.979) 37.902 10.020 ( -15.255 -19.585 0.626) 24.833 10.730 ( 2.923 0.073 -0.619) 2.989 11.154 ( 1.253 -4.291 -7.462) 8.699 13.519 ( -10.295 0.644 3.065) 10.761 14.881 ( 1.917 -12.273 -3.076) 12.797 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -0.642 7.808 0.927) 7.889 2.052 ( 5.134 2.197 -3.274) 6.473 2.172 ( 3.857 8.371 -1.747) 9.381 2.825 ( -4.854 2.282 -10.129) 11.461 3.792 ( 1.049 4.982 5.032) 7.158 4.694 ( 3.224 1.095 5.761) 6.692 4.722 ( 9.171 2.293 4.508) 10.473 5.462 ( -5.991 -9.470 -8.686) 14.178 5.651 ( -7.034 -0.605 -0.678) 7.092 6.240 ( -16.219 -9.145 -3.068) 18.871 6.345 ( -14.444 -0.881 2.284) 14.650 6.756 ( -17.946 -1.059 10.066) 20.604 6.913 ( -11.902 -2.097 -3.185) 12.498 9.597 ( -12.182 -18.044 -0.150) 21.771 10.827 ( 2.917 7.838 0.831) 8.404 11.171 ( 9.027 -6.959 -4.561) 12.277 13.363 ( -7.996 -1.275 2.999) 8.635 14.806 ( 3.357 -11.110 -3.596) 12.150 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -2.386 5.832 -0.294) 6.308 2.088 ( 1.569 -0.478 -1.570) 2.271 2.361 ( 5.142 12.470 -6.186) 14.839 2.694 ( -8.941 2.802 -7.324) 11.892 3.873 ( 1.825 2.784 3.970) 5.181 4.652 ( -8.052 -5.407 3.048) 10.167 4.838 ( 2.285 -0.971 -3.720) 4.473 5.195 ( -4.919 -7.090 -7.006) 11.116 5.357 ( -18.324 -0.747 -6.229) 19.369 6.129 ( -13.818 4.098 8.010) 16.489 6.149 ( 4.357 -0.286 4.613) 6.352 6.448 ( -18.429 -1.127 12.173) 22.115 6.859 ( 0.826 6.467 -10.286) 12.178 9.298 ( -3.762 -13.870 -0.690) 14.388 10.949 ( -0.876 11.173 1.739) 11.341 11.262 ( 11.681 -9.505 -2.295) 15.233 13.265 ( -2.475 -2.176 2.413) 4.085 14.743 ( 3.059 -10.998 -3.083) 11.824 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 13.942 2.391) 14.146 1.444 ( -0.000 5.537 12.620) 13.781 1.761 ( 0.000 25.546 0.071) 25.546 2.019 ( 0.000 2.630 -0.974) 2.805 2.763 ( 0.000 26.016 6.344) 26.778 4.175 ( 0.000 4.500 -2.789) 5.294 4.498 ( -0.000 0.447 2.872) 2.907 5.128 ( 0.000 10.342 -9.495) 14.040 5.375 ( 0.000 5.854 -11.899) 13.261 5.475 ( -0.000 23.910 10.252) 26.015 7.027 ( -0.000 -4.289 13.062) 13.748 8.080 ( 0.000 -11.604 -11.227) 16.146 9.403 ( -0.000 -30.751 1.628) 30.794 10.902 ( 0.000 -2.482 -0.992) 2.673 11.080 ( -0.000 -10.158 -1.218) 10.231 11.353 ( 0.000 5.509 -13.621) 14.693 13.442 ( 0.000 13.732 -3.929) 14.283 15.509 ( -0.000 -28.889 9.627) 30.451 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -0.198 7.718 5.112) 9.260 1.608 ( 5.153 10.616 4.998) 12.815 2.040 ( 2.282 6.013 -0.997) 6.508 2.122 ( 10.008 17.583 -2.273) 20.358 3.122 ( 10.468 22.942 6.123) 25.950 4.227 ( 0.230 6.048 -2.290) 6.471 4.434 ( -7.454 2.290 0.873) 7.847 5.232 ( 3.091 11.336 -6.881) 13.617 5.451 ( 0.943 12.200 -3.060) 12.613 5.775 ( 8.741 18.202 2.249) 20.317 7.022 ( 1.180 -9.864 18.214) 20.747 7.886 ( -6.277 -8.583 -16.018) 19.226 8.999 ( -10.030 -34.589 1.492) 36.045 10.795 ( -5.728 -9.487 0.313) 11.086 10.890 ( -7.850 -12.622 -2.293) 15.040 11.360 ( 2.027 -2.210 -11.182) 11.577 13.601 ( 4.061 12.441 -4.064) 13.703 15.218 ( -5.509 -25.899 9.134) 28.010 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 4.699 7.994 3.063) 9.765 1.813 ( 4.184 11.694 3.157) 12.815 2.091 ( 1.178 1.840 -0.988) 2.398 2.468 ( 12.573 12.428 -5.209) 18.429 3.554 ( 13.378 18.053 4.465) 22.909 4.213 ( -5.116 2.470 -0.531) 5.705 4.446 ( 1.809 9.129 3.319) 9.881 5.375 ( 3.474 7.556 -1.190) 8.401 5.567 ( -0.984 12.686 0.094) 12.724 6.146 ( 15.401 12.724 -2.160) 20.093 6.984 ( 0.512 -14.954 20.266) 25.191 7.576 ( -13.997 -8.792 -18.509) 24.815 8.432 ( -19.002 -30.798 1.497) 36.219 10.518 ( -12.750 -14.889 0.566) 19.610 10.647 ( -3.568 -12.413 -3.145) 13.293 11.279 ( -2.913 -5.362 -7.380) 9.576 13.742 ( 0.628 8.061 -1.832) 8.290 14.910 ( -5.498 -21.634 4.879) 22.849 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 7.207 8.281 0.519) 10.990 1.989 ( 1.368 12.926 2.060) 13.160 2.117 ( 0.955 1.307 -1.057) 1.933 2.727 ( 9.365 6.333 -6.995) 13.295 3.865 ( 0.589 14.077 1.754) 14.198 4.238 ( 8.679 0.638 4.653) 9.868 4.609 ( 3.948 9.056 4.729) 10.953 5.468 ( 2.154 1.262 0.466) 2.539 5.663 ( 0.908 6.438 -0.640) 6.533 6.447 ( 7.649 6.793 -0.811) 10.262 6.843 ( -6.854 -18.293 12.501) 23.193 7.154 ( -16.423 -8.724 -13.078) 22.734 7.819 ( -24.899 -17.235 1.874) 30.339 10.118 ( -17.118 -15.438 0.962) 23.072 10.532 ( 7.131 -13.688 -3.425) 15.810 11.152 ( -4.046 -2.249 -4.404) 6.389 13.734 ( -8.961 4.206 1.907) 10.081 14.675 ( 0.937 -19.139 -0.817) 19.180 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 5.534 5.934 -1.124) 8.191 2.085 ( -1.629 5.267 0.194) 5.516 2.204 ( 3.123 12.725 -0.868) 13.131 2.856 ( 2.419 4.768 -7.433) 9.156 3.912 ( -5.712 9.033 3.483) 11.241 4.480 ( 15.268 -2.252 3.755) 15.883 4.752 ( 1.595 6.261 5.218) 8.305 5.430 ( -3.478 -8.572 -5.085) 10.556 5.704 ( -0.419 0.980 0.515) 1.184 6.425 ( -16.257 -12.548 0.816) 20.553 6.520 ( -7.825 -0.355 -3.140) 8.439 6.884 ( -5.651 -4.941 -1.072) 7.582 7.328 ( -24.906 1.235 5.755) 25.592 9.666 ( -17.923 -15.738 0.513) 23.857 10.601 ( 17.815 -14.534 -3.065) 23.195 11.100 ( -1.883 4.233 -1.428) 4.848 13.562 ( -13.933 0.869 3.461) 14.383 14.556 ( 6.513 -18.229 -3.649) 19.699 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 1.034 2.148 -2.507) 3.460 2.102 ( -1.284 5.281 0.790) 5.492 2.412 ( 3.688 17.561 -3.076) 18.206 2.858 ( -5.688 6.591 -6.403) 10.807 3.920 ( -2.473 4.559 4.081) 6.599 4.645 ( 6.280 -7.835 0.156) 10.042 4.811 ( -1.541 3.179 5.240) 6.320 5.183 ( -7.264 -9.757 -10.560) 16.109 5.612 ( -11.949 -1.067 -2.413) 12.236 6.121 ( -4.020 -3.373 0.612) 5.283 6.359 ( -10.245 -2.585 2.475) 10.852 6.814 ( -5.050 4.542 -0.753) 6.833 7.030 ( -20.364 13.356 6.620) 25.237 9.255 ( -11.277 -15.821 -0.393) 19.433 10.781 ( 21.531 -17.562 -2.175) 27.871 11.152 ( -1.602 11.419 0.813) 11.560 13.353 ( -10.243 -2.134 2.902) 10.858 14.491 ( 7.825 -18.258 -3.579) 20.184 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -0.000 5.344 5.146) 7.418 1.611 ( 0.000 9.392 0.138) 9.393 2.062 ( 0.000 2.300 -0.827) 2.444 2.241 ( 0.000 21.050 0.751) 21.063 3.273 ( -0.000 21.029 5.696) 21.786 4.293 ( 0.000 9.313 -2.413) 9.620 4.535 ( 0.000 3.287 -3.175) 4.570 5.295 ( 0.000 12.965 -8.851) 15.698 5.412 ( 0.000 5.721 -8.650) 10.371 6.014 ( -0.000 22.310 10.144) 24.508 6.947 ( -0.000 -15.776 19.316) 24.940 7.799 ( 0.000 -8.651 -17.479) 19.503 8.697 ( -0.000 -41.984 0.708) 41.990 10.757 ( -0.000 -10.949 -0.156) 10.950 10.877 ( -0.000 -9.336 -0.515) 9.350 11.230 ( 0.000 -7.538 -10.361) 12.813 13.650 ( 0.000 8.208 -5.325) 9.784 15.067 ( -0.000 -21.778 11.669) 24.708 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.489 8.074 2.469) 8.457 1.792 ( 8.230 6.920 0.554) 10.767 2.089 ( 0.834 1.838 -0.752) 2.154 2.459 ( 4.193 14.465 0.610) 15.072 3.543 ( 8.198 15.606 4.287) 18.142 4.357 ( -4.442 9.629 -3.952) 11.317 4.530 ( -1.461 7.419 -1.523) 7.714 5.406 ( 1.258 8.354 -2.384) 8.778 5.542 ( 8.930 5.618 -6.727) 12.512 6.219 ( -0.671 18.694 6.309) 19.741 6.851 ( 2.007 -20.463 19.494) 28.334 7.594 ( -6.648 -10.866 -18.120) 22.150 8.253 ( -2.890 -41.296 0.160) 41.398 10.527 ( -9.532 -19.008 -2.889) 21.459 10.707 ( -9.160 -3.360 -0.033) 9.757 11.179 ( 3.436 -7.606 -5.422) 9.953 13.724 ( 4.836 1.706 -5.298) 7.374 14.865 ( -7.047 -15.423 10.455) 19.921 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 4.344 9.113 1.450) 10.199 2.015 ( 9.332 8.008 0.138) 12.298 2.111 ( 0.202 1.152 -0.653) 1.339 2.657 ( 5.674 8.868 -0.652) 10.548 3.855 ( 12.410 8.982 2.683) 15.553 4.309 ( -8.749 8.952 -2.206) 12.710 4.646 ( 3.606 8.993 1.353) 9.783 5.459 ( -0.022 -0.087 1.107) 1.111 5.675 ( 2.897 3.006 -1.697) 4.507 6.430 ( 5.147 12.279 0.643) 13.329 6.736 ( 1.043 -21.762 15.946) 26.999 7.242 ( -12.358 -14.909 -14.306) 24.076 7.852 ( -4.056 -27.023 -1.492) 27.367 10.158 ( -6.830 -22.121 -2.687) 23.307 10.489 ( -14.766 -1.279 0.324) 14.825 11.138 ( 0.971 -4.231 -2.928) 5.236 13.790 ( 4.570 -2.812 -3.713) 6.526 14.601 ( -11.151 -12.387 6.561) 17.912 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 4.930 7.516 0.208) 8.991 2.117 ( 0.050 0.692 -0.474) 0.840 2.265 ( 7.795 13.471 0.120) 15.564 2.816 ( 5.098 6.067 -1.900) 8.149 4.108 ( 4.015 7.120 1.287) 8.274 4.264 ( 0.161 2.272 0.822) 2.421 4.792 ( 3.240 6.942 2.374) 8.020 5.390 ( -3.524 -9.156 -0.108) 9.812 5.713 ( 0.386 0.902 0.024) 0.982 6.504 ( -7.073 -15.517 6.672) 18.312 6.569 ( -1.041 -2.465 -3.616) 4.498 6.911 ( -6.086 -8.499 -3.406) 10.995 7.595 ( -6.386 -7.089 -0.265) 9.545 9.857 ( -9.963 -14.708 -0.387) 17.769 10.225 ( -5.065 -11.893 -1.157) 12.979 11.146 ( 1.851 3.590 -1.108) 4.189 13.767 ( -4.187 -3.173 -0.188) 5.257 14.325 ( -5.806 -15.009 1.036) 16.126 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 1.944 4.889 -1.296) 5.419 2.133 ( 1.019 1.684 0.513) 2.034 2.533 ( 4.939 19.090 -0.684) 19.730 2.931 ( 2.191 6.206 -2.652) 7.096 4.091 ( -9.466 6.603 2.300) 11.768 4.392 ( 12.182 -7.563 -0.452) 14.346 4.894 ( 0.300 5.350 3.722) 6.524 5.170 ( -7.402 -12.440 -5.552) 15.503 5.705 ( -2.184 -0.934 -0.184) 2.382 6.201 ( -9.721 -8.918 -0.292) 13.195 6.459 ( -6.520 -6.515 0.062) 9.218 6.859 ( 1.543 4.817 -1.510) 5.278 7.474 ( -10.320 7.364 4.692) 13.519 9.452 ( -24.356 -6.449 0.223) 25.196 10.173 ( 19.561 -25.688 -1.727) 32.334 11.265 ( 3.115 11.783 0.337) 12.192 13.575 ( -14.722 -2.182 2.576) 15.104 14.153 ( 5.540 -20.015 -2.868) 20.965 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -0.000 7.654 2.101) 7.937 1.757 ( 0.000 6.064 -0.410) 6.078 2.095 ( 0.000 1.481 -0.657) 1.620 2.557 ( -0.000 9.666 4.138) 10.514 3.619 ( 0.000 11.666 1.658) 11.784 4.494 ( 0.000 13.089 -4.015) 13.691 4.603 ( 0.000 6.578 -4.535) 7.990 5.471 ( 0.000 2.860 -1.445) 3.204 5.501 ( 0.000 12.375 -5.179) 13.415 6.403 ( -0.000 10.160 7.272) 12.494 6.673 ( -0.000 -23.861 17.423) 29.545 7.474 ( 0.000 -13.268 -17.836) 22.230 7.824 ( -0.000 -46.290 0.059) 46.290 10.426 ( -0.000 -21.714 -4.971) 22.275 10.742 ( -0.000 -3.629 -0.348) 3.646 11.086 ( 0.000 -0.825 -1.184) 1.443 13.637 ( 0.000 -5.021 -5.787) 7.662 14.862 ( -0.000 -7.634 11.224) 13.574 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 1.588 9.375 2.275) 9.777 1.899 ( 8.700 4.467 -0.760) 9.809 2.114 ( 0.825 1.305 -0.525) 1.630 2.669 ( 3.072 5.213 5.002) 7.850 3.766 ( 6.241 6.657 -0.681) 9.151 4.553 ( -6.852 12.747 -4.383) 15.121 4.671 ( 2.420 7.278 -1.931) 7.909 5.469 ( -1.381 -2.261 3.162) 4.125 5.644 ( 4.168 6.270 -2.192) 7.841 6.475 ( 0.750 2.116 2.662) 3.483 6.526 ( 3.015 -21.663 13.670) 25.792 7.187 ( -7.394 -20.911 -11.256) 24.873 7.485 ( 8.207 -33.054 -4.431) 34.345 10.069 ( -10.478 -24.147 -3.964) 26.619 10.720 ( -4.288 4.023 0.178) 5.882 11.076 ( -1.088 -0.593 -0.029) 1.239 13.602 ( 5.540 -8.704 -5.161) 11.536 14.758 ( -10.040 -4.025 9.000) 14.071 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 2.799 7.256 1.929) 8.012 2.092 ( 5.181 0.918 -1.131) 5.382 2.197 ( 9.584 8.422 0.470) 12.768 2.797 ( 4.828 4.052 4.220) 7.585 3.939 ( 10.000 0.862 -1.780) 10.194 4.507 ( -10.815 10.848 -1.434) 15.385 4.787 ( 4.269 5.164 -1.676) 6.907 5.373 ( -4.504 -10.741 5.925) 13.067 5.707 ( 1.021 -0.077 -0.208) 1.045 6.387 ( 0.758 -20.756 6.906) 21.888 6.523 ( 2.654 -2.964 -2.527) 4.714 6.888 ( -3.556 -11.411 -1.413) 12.036 7.393 ( 12.267 -18.087 -7.181) 23.004 9.677 ( -5.125 -24.138 -1.726) 24.737 10.577 ( -22.052 8.355 1.727) 23.645 11.097 ( 5.220 1.172 -0.823) 5.413 13.600 ( 7.286 -11.806 -4.144) 14.479 14.508 ( -17.881 -3.319 5.934) 19.130 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 0.000 4.070 -0.132) 4.072 1.925 ( -0.000 9.699 3.052) 10.168 2.110 ( 0.000 0.520 -0.450) 0.688 2.683 ( -0.000 -0.233 7.458) 7.462 3.772 ( 0.000 5.795 -3.347) 6.692 4.701 ( 0.000 5.589 -3.321) 6.501 4.719 ( 0.000 11.027 -4.043) 11.745 5.463 ( -0.000 -6.674 7.549) 10.076 5.652 ( 0.000 2.377 -1.373) 2.745 6.322 ( -0.000 -18.421 8.782) 20.407 6.449 ( -0.000 -9.685 1.188) 9.758 7.027 ( -0.000 -30.578 2.658) 30.693 7.050 ( 0.000 -18.278 -15.600) 24.030 9.929 ( -0.000 -23.846 -3.736) 24.137 10.736 ( 0.000 3.021 -0.787) 3.122 11.158 ( -0.000 6.305 2.314) 6.716 13.457 ( 0.000 -8.009 -4.493) 9.183 14.849 ( -0.000 -2.005 7.814) 8.067 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 7.862 2.740 -0.506) 8.341 2.018 ( -0.463 6.379 3.593) 7.336 2.159 ( 4.632 5.268 0.770) 7.057 2.736 ( 5.158 -2.353 7.615) 9.494 3.838 ( 3.570 3.528 -4.161) 6.520 4.744 ( -5.664 6.787 -2.837) 9.284 4.753 ( 2.077 3.233 -2.709) 4.702 5.360 ( -4.319 -13.243 10.977) 17.735 5.643 ( 2.911 -9.054 0.764) 9.541 6.208 ( 0.679 -12.710 3.096) 13.099 6.380 ( 5.891 -9.933 -4.340) 12.337 6.812 ( -0.015 -10.196 1.597) 10.320 6.929 ( 11.429 -20.703 -8.857) 25.253 9.603 ( -9.866 -20.369 -1.485) 22.682 10.835 ( 4.336 7.026 -0.769) 8.292 11.137 ( -9.612 5.115 2.126) 11.094 13.397 ( 2.897 -8.052 -3.724) 9.333 14.759 ( -10.954 -1.877 5.676) 12.480 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.000 2.487 0.504) 2.538 2.112 ( 0.000 -0.001 -0.317) 0.317 2.156 ( -0.000 10.565 6.302) 12.301 2.670 ( -0.000 -5.754 8.132) 9.962 3.837 ( 0.000 4.151 -4.481) 6.108 4.718 ( 0.000 -1.919 -4.921) 5.282 4.843 ( -0.000 1.672 2.290) 2.835 5.324 ( -0.000 -12.260 13.388) 18.153 5.444 ( -0.000 -21.546 1.177) 21.578 6.159 ( 0.000 -0.387 -2.120) 2.155 6.163 ( 0.000 -11.927 -8.716) 14.772 6.592 ( 0.000 -18.055 -12.671) 22.058 6.780 ( -0.000 -3.239 10.109) 10.615 9.519 ( -0.000 -15.834 -0.439) 15.840 10.816 ( 0.000 4.951 -1.624) 5.211 11.312 ( -0.000 6.899 2.600) 7.372 13.310 ( 0.000 -4.134 -3.030) 5.126 14.850 ( -0.000 -2.328 4.416) 4.993 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.000 0.000 10.947) 10.947 0.854 ( -0.000 0.000 10.947) 10.947 1.583 ( -0.000 0.000 23.273) 23.273 1.957 ( 0.000 -0.000 -1.108) 1.108 1.957 ( 0.000 -0.000 -1.108) 1.108 4.128 ( 0.000 -0.000 -4.092) 4.092 4.716 ( -0.000 0.000 6.268) 6.268 4.716 ( -0.000 0.000 6.268) 6.268 5.139 ( 0.000 -0.000 -5.818) 5.818 5.139 ( 0.000 -0.000 -5.818) 5.818 6.917 ( -0.000 0.000 1.197) 1.197 8.834 ( -0.000 0.000 3.191) 3.191 10.012 ( -0.000 0.000 2.083) 2.083 10.012 ( -0.000 0.000 2.083) 2.083 11.321 ( 0.000 -0.000 -2.051) 2.051 11.321 ( 0.000 -0.000 -2.051) 2.051 13.192 ( 0.000 -0.000 -1.990) 1.990 16.222 ( -0.000 0.000 0.159) 0.159 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 10.694 6.174 9.151) 15.370 1.172 ( 15.360 8.868 9.543) 20.140 1.591 ( 3.298 1.904 8.797) 9.586 1.974 ( 1.642 0.948 -0.963) 2.127 2.268 ( 21.469 12.395 5.006) 25.290 4.122 ( 0.777 0.448 -3.938) 4.039 4.687 ( 2.172 1.254 5.216) 5.788 4.740 ( -12.251 -7.073 12.901) 19.145 4.965 ( 1.317 0.760 -9.321) 9.444 5.394 ( 16.624 9.598 -5.371) 19.933 7.008 ( 5.512 3.182 2.413) 6.807 8.436 ( -21.877 -12.631 -0.162) 25.262 9.852 ( -14.506 -8.375 2.135) 16.886 10.636 ( 35.611 20.560 -6.845) 41.686 11.243 ( -6.132 -3.540 -1.944) 7.342 11.259 ( -5.103 -2.946 -1.971) 6.213 13.240 ( 5.255 3.034 -2.163) 6.441 16.030 ( -15.401 -8.892 2.614) 17.975 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 12.494 7.213 5.647) 15.492 1.395 ( 4.198 2.424 11.890) 12.840 1.945 ( 23.098 13.336 -5.012) 27.138 2.017 ( 2.187 1.263 -0.787) 2.645 2.822 ( 24.805 14.321 5.047) 29.083 4.150 ( 2.909 1.680 -2.548) 4.216 4.429 ( -13.965 -8.063 10.675) 19.339 4.839 ( 9.627 5.558 4.020) 11.821 5.088 ( 8.475 4.893 -3.762) 10.484 5.814 ( 21.146 12.208 -5.139) 24.952 7.119 ( 2.225 1.285 10.095) 10.417 8.006 ( -16.266 -9.391 -9.019) 20.835 9.386 ( -27.262 -15.740 2.298) 31.563 11.035 ( -11.214 -6.475 0.177) 12.950 11.092 ( -8.731 -5.041 -1.646) 10.215 11.167 ( 12.615 7.283 -11.430) 18.516 13.410 ( 9.349 5.398 -2.147) 11.007 15.636 ( -18.921 -10.924 2.956) 22.047 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 6.786 3.918 6.518) 10.192 1.556 ( 9.194 5.308 3.321) 11.123 2.061 ( 1.884 1.088 -0.678) 2.279 2.421 ( 19.540 11.282 -8.456) 24.096 3.345 ( 18.815 10.863 1.777) 21.798 4.199 ( 0.257 0.149 4.768) 4.777 4.316 ( 3.384 1.954 7.902) 8.815 5.120 ( 13.742 7.934 2.615) 16.082 5.277 ( 8.430 4.867 -0.183) 9.735 6.252 ( 17.997 10.391 -5.039) 21.384 7.167 ( -2.340 -1.351 16.801) 17.017 7.578 ( -19.313 -11.150 -15.216) 26.997 8.667 ( -36.726 -21.204 2.461) 42.479 10.734 ( -15.429 -8.908 1.154) 17.853 10.885 ( -8.536 -4.928 -0.980) 9.905 11.230 ( -1.161 -0.670 -9.908) 9.998 13.567 ( 3.391 1.958 0.433) 3.940 15.259 ( -13.948 -8.053 -0.943) 16.134 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 6.059 3.498 1.839) 7.234 1.739 ( 9.046 5.223 1.655) 10.575 2.094 ( 1.163 0.671 -0.531) 1.444 2.721 ( 9.440 5.450 -10.896) 15.413 3.617 ( 6.107 3.526 1.620) 7.236 4.356 ( 11.459 6.616 9.801) 16.466 4.490 ( 8.012 4.626 5.429) 10.727 5.436 ( 12.821 7.402 1.332) 14.864 5.448 ( 6.200 3.580 1.188) 7.257 6.527 ( 6.737 3.890 -4.884) 9.185 7.021 ( -24.924 -14.390 -12.450) 31.357 7.107 ( -8.740 -5.046 13.756) 17.061 7.801 ( -39.478 -22.793 2.288) 45.643 10.348 ( -19.412 -11.208 2.201) 22.523 10.738 ( -3.706 -2.139 -0.026) 4.279 11.166 ( -0.104 -0.060 -8.380) 8.381 13.547 ( -4.974 -2.872 3.189) 6.569 15.024 ( -6.362 -3.673 -4.678) 8.710 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 3.957 2.284 0.615) 4.610 1.953 ( 9.898 5.715 -2.454) 11.689 2.109 ( 0.344 0.199 -0.187) 0.439 2.775 ( -0.590 -0.341 -10.877) 10.898 3.731 ( 4.175 2.410 4.652) 6.700 4.660 ( 4.871 2.812 4.821) 7.408 4.665 ( 11.505 6.642 6.622) 14.843 5.526 ( -0.507 -0.293 -4.724) 4.760 5.641 ( 2.805 1.619 0.768) 3.329 6.420 ( -21.588 -12.464 -10.679) 27.119 6.463 ( -12.455 -7.191 -1.652) 14.477 6.894 ( -14.467 -8.353 15.455) 22.758 7.047 ( -22.995 -13.276 -1.337) 26.586 9.903 ( -19.782 -11.421 1.557) 22.895 10.728 ( 2.298 1.327 0.926) 2.810 11.198 ( 4.700 2.713 -5.417) 7.667 13.417 ( -6.553 -3.784 3.650) 8.401 14.915 ( -2.571 -1.484 -5.384) 6.148 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -0.000 14.032 4.460) 14.724 1.159 ( -0.000 23.314 9.207) 25.067 1.586 ( -0.000 -5.009 9.199) 10.474 1.970 ( 0.000 1.908 -0.920) 2.119 2.281 ( 0.000 24.330 5.244) 24.888 4.110 ( 0.000 1.292 -3.888) 4.097 4.588 ( -0.000 -7.818 7.405) 10.768 4.940 ( 0.000 7.703 -3.536) 8.475 5.117 ( -0.000 12.747 4.308) 13.455 5.223 ( 0.000 5.801 -8.820) 10.556 7.007 ( -0.000 6.198 2.448) 6.663 8.436 ( -0.000 -26.481 0.047) 26.481 9.869 ( -0.000 -16.132 1.528) 16.204 10.580 ( 0.000 35.075 -3.520) 35.251 11.242 ( -0.000 -6.335 -1.373) 6.482 11.271 ( 0.000 -2.601 -3.334) 4.229 13.234 ( 0.000 6.057 -1.920) 6.354 16.023 ( -0.000 -19.513 2.885) 19.725 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 4.107 13.744 3.815) 14.843 1.451 ( 0.936 9.586 12.492) 15.774 1.717 ( 15.862 13.244 -3.724) 20.997 2.005 ( 1.607 2.644 -0.768) 3.188 2.679 ( 14.636 23.361 5.344) 28.080 4.129 ( 1.306 3.050 -2.889) 4.399 4.499 ( -5.322 -8.731 5.278) 11.507 4.993 ( 0.407 10.383 -7.503) 12.817 5.120 ( -7.350 18.761 8.007) 21.682 5.527 ( 19.526 8.554 -6.195) 22.199 7.114 ( 3.495 3.676 7.033) 8.672 8.094 ( -10.656 -17.217 -5.824) 21.068 9.565 ( -13.818 -22.460 1.558) 26.416 10.914 ( 7.072 2.463 -2.237) 7.816 11.105 ( -6.547 -9.387 -1.366) 11.526 11.244 ( -0.138 6.699 -6.333) 9.219 13.353 ( 5.472 10.144 -2.119) 11.719 15.729 ( -10.063 -22.374 3.911) 24.842 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 5.771 6.234 3.825) 9.316 1.592 ( 2.410 11.200 6.530) 13.187 2.044 ( 2.450 2.493 -0.833) 3.593 2.183 ( 18.553 14.408 -6.290) 24.319 3.189 ( 17.494 19.566 2.974) 26.415 4.187 ( 1.685 2.179 -0.680) 2.837 4.357 ( -3.100 -1.452 6.062) 6.962 5.159 ( 4.315 16.222 -1.490) 16.852 5.251 ( -0.112 14.496 5.975) 15.680 5.955 ( 23.118 7.167 -6.429) 25.043 7.208 ( 1.512 -1.308 13.862) 14.005 7.714 ( -14.842 -12.478 -12.643) 23.148 8.995 ( -26.175 -25.407 1.773) 36.521 10.819 ( -8.022 -15.216 1.724) 17.287 10.871 ( -4.504 -10.840 -3.400) 12.221 11.282 ( -3.270 3.844 -6.358) 8.117 13.554 ( 5.137 9.760 -0.831) 11.060 15.336 ( -11.623 -19.844 1.174) 23.027 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 7.426 5.744 1.581) 9.520 1.761 ( 1.952 11.081 3.286) 11.721 2.087 ( 0.971 1.656 -0.467) 1.976 2.556 ( 13.757 8.691 -8.234) 18.237 3.590 ( 8.103 13.815 -0.093) 16.016 4.247 ( 7.494 0.342 6.765) 10.101 4.455 ( 5.479 7.370 5.201) 10.554 5.386 ( 6.561 7.713 -0.120) 10.127 5.427 ( 2.887 14.912 4.226) 15.766 6.339 ( 16.526 3.917 -5.253) 17.777 7.209 ( -4.080 -9.203 19.929) 22.328 7.240 ( -20.899 -9.973 -19.115) 30.026 8.236 ( -35.033 -23.388 1.918) 42.166 10.468 ( -13.653 -18.265 2.389) 22.929 10.732 ( 0.524 -8.635 -2.054) 8.891 11.180 ( -5.887 -0.987 -5.316) 7.993 13.647 ( -3.699 4.875 2.477) 6.602 15.008 ( -5.463 -15.259 -3.757) 16.637 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 8.355 6.622 -1.572) 10.776 1.887 ( -0.003 9.833 1.711) 9.981 2.112 ( 0.600 1.426 -0.162) 1.556 2.740 ( 3.954 4.347 -8.991) 10.740 3.750 ( 0.620 8.179 2.408) 8.549 4.499 ( 15.164 1.991 6.443) 16.596 4.638 ( 4.954 6.600 4.461) 9.381 5.496 ( 1.776 -0.022 -1.920) 2.615 5.627 ( 4.010 8.076 1.139) 9.088 6.500 ( 1.306 -1.015 -2.293) 2.828 6.663 ( -24.522 -11.909 -13.331) 30.345 7.064 ( -10.026 -10.563 12.485) 19.183 7.450 ( -34.965 -12.430 2.985) 37.229 10.036 ( -15.622 -20.255 2.535) 25.705 10.724 ( 4.392 -0.877 -0.525) 4.509 11.096 ( 0.935 -2.603 -4.024) 4.883 13.555 ( -10.219 0.629 4.219) 11.074 14.834 ( 1.543 -11.640 -6.303) 13.327 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 0.000 13.131 0.073) 13.131 1.550 ( -0.000 1.144 7.466) 7.554 1.760 ( 0.000 27.041 0.852) 27.055 2.011 ( 0.000 2.621 -0.586) 2.686 2.823 ( 0.000 26.263 5.317) 26.796 4.147 ( 0.000 4.978 -2.595) 5.613 4.525 ( -0.000 -3.088 2.313) 3.859 5.036 ( 0.000 9.766 -8.840) 13.173 5.257 ( 0.000 5.855 -11.675) 13.061 5.577 ( -0.000 24.555 10.002) 26.514 7.139 ( -0.000 1.866 9.279) 9.465 7.983 ( 0.000 -17.547 -7.934) 19.257 9.415 ( -0.000 -30.885 0.633) 30.892 10.911 ( -0.000 -1.128 2.660) 2.889 11.072 ( -0.000 -9.984 -0.492) 9.996 11.237 ( 0.000 3.099 -9.972) 10.442 13.411 ( 0.000 12.651 -2.362) 12.870 15.586 ( -0.000 -26.262 6.069) 26.954 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.730 7.987 1.466) 8.153 1.648 ( 5.504 7.274 2.340) 9.417 2.033 ( 1.802 6.551 -0.182) 6.797 2.108 ( 7.731 18.071 -0.021) 19.655 3.175 ( 9.939 23.097 4.223) 25.497 4.203 ( 0.381 5.756 -2.184) 6.168 4.432 ( -5.439 0.328 -1.331) 5.609 5.178 ( 5.291 12.441 -4.028) 14.107 5.400 ( 9.572 7.295 -6.931) 13.888 5.819 ( 0.388 22.568 6.094) 23.379 7.190 ( 2.327 -5.252 14.760) 15.838 7.734 ( -7.379 -12.982 -13.742) 20.294 9.009 ( -9.668 -34.833 0.429) 36.152 10.808 ( -6.066 -9.369 2.303) 11.396 10.866 ( -8.692 -13.172 -2.490) 15.976 11.275 ( 3.373 -1.854 -5.692) 6.871 13.569 ( 4.754 11.436 -2.397) 12.614 15.291 ( -7.444 -23.798 5.576) 25.551 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 4.272 7.386 1.089) 8.602 1.837 ( 4.907 10.336 1.467) 11.535 2.084 ( 1.082 1.750 -0.396) 2.095 2.430 ( 9.959 13.719 -2.186) 17.093 3.586 ( 11.849 18.594 1.712) 22.115 4.208 ( -1.559 1.303 -0.339) 2.060 4.468 ( 3.642 8.497 1.167) 9.318 5.367 ( 4.738 8.545 -0.389) 9.778 5.569 ( 1.929 8.891 0.212) 9.100 6.130 ( 12.148 15.824 -0.884) 19.969 7.186 ( 0.593 -14.883 20.143) 25.051 7.386 ( -14.299 -8.949 -19.556) 25.826 8.443 ( -18.484 -31.286 0.534) 36.342 10.526 ( -11.571 -16.637 0.705) 20.277 10.622 ( -4.675 -11.197 -1.564) 12.234 11.229 ( -2.658 -4.729 -2.515) 5.979 13.730 ( 2.802 7.169 -0.619) 7.722 14.942 ( -9.095 -19.838 1.611) 21.883 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 6.334 8.088 -0.484) 10.285 2.008 ( 1.394 12.321 1.465) 12.486 2.110 ( 1.037 0.974 -0.354) 1.466 2.672 ( 7.261 7.793 -3.727) 11.285 3.871 ( 0.719 14.712 -0.523) 14.738 4.280 ( 10.854 -1.108 3.709) 11.523 4.643 ( 5.006 8.686 1.932) 10.210 5.468 ( 1.164 0.631 -0.511) 1.419 5.663 ( 1.120 5.477 0.647) 5.628 6.438 ( 8.101 8.836 -0.926) 12.023 6.874 ( -18.947 -15.609 -9.021) 26.154 7.116 ( -5.878 -12.261 8.169) 15.862 7.837 ( -23.452 -17.431 1.622) 29.265 10.134 ( -16.704 -16.203 2.127) 23.369 10.503 ( 6.956 -13.809 -2.274) 15.628 11.127 ( -3.913 -1.346 -0.735) 4.202 13.757 ( -6.898 3.531 2.832) 8.251 14.653 ( -2.092 -17.688 -3.778) 18.208 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.000 9.463 -1.326) 9.556 1.620 ( 0.000 4.758 0.263) 4.765 2.057 ( 0.000 2.233 -0.314) 2.255 2.269 ( 0.000 21.208 4.961) 21.780 3.322 ( 0.000 20.468 3.968) 20.849 4.265 ( 0.000 8.702 -3.046) 9.219 4.486 ( 0.000 1.793 -6.603) 6.842 5.216 ( 0.000 13.789 -6.986) 15.458 5.337 ( 0.000 8.269 -6.163) 10.313 6.109 ( -0.000 21.748 9.000) 23.537 7.132 ( -0.000 -13.258 17.514) 21.966 7.625 ( 0.000 -11.301 -16.997) 20.411 8.698 ( -0.000 -42.107 -0.470) 42.110 10.756 ( -0.000 -13.674 -0.293) 13.677 10.874 ( -0.000 -9.348 0.020) 9.348 11.159 ( 0.000 -5.037 -3.651) 6.221 13.606 ( 0.000 6.860 -3.591) 7.743 15.166 ( -0.000 -19.844 8.242) 21.488 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.739 8.338 0.325) 8.377 1.787 ( 8.477 6.672 -1.734) 10.926 2.085 ( 0.853 1.726 -0.131) 1.930 2.488 ( 2.301 15.279 5.132) 16.281 3.577 ( 8.189 14.447 2.416) 16.781 4.309 ( -4.435 8.656 -5.577) 11.211 4.502 ( 1.470 8.030 -3.938) 9.063 5.390 ( 2.979 9.698 -0.924) 10.187 5.479 ( 10.223 7.503 -5.944) 14.005 6.282 ( -3.294 17.477 6.152) 18.819 7.046 ( 2.168 -21.515 19.660) 29.225 7.406 ( -6.540 -9.870 -19.492) 22.806 8.250 ( -2.872 -41.749 -0.903) 41.857 10.496 ( -9.310 -20.404 -3.121) 22.644 10.714 ( -8.742 -3.349 1.407) 9.467 11.153 ( 3.147 -6.304 0.064) 7.046 13.679 ( 5.531 0.550 -3.880) 6.779 14.953 ( -8.820 -13.972 7.239) 18.039 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.000 6.455 -1.249) 6.575 1.749 ( 0.000 8.614 -0.252) 8.618 2.091 ( 0.000 1.395 -0.048) 1.396 2.622 ( -0.000 10.105 8.607) 13.274 3.626 ( 0.000 9.304 -0.102) 9.305 4.440 ( 0.000 13.078 -6.974) 14.821 4.549 ( 0.000 8.220 -6.048) 10.205 5.459 ( 0.000 5.943 -1.144) 6.052 5.459 ( 0.000 13.648 -3.264) 14.033 6.471 ( -0.000 8.643 6.348) 10.724 6.850 ( -0.000 -26.519 18.041) 32.074 7.290 ( 0.000 -11.884 -19.031) 22.437 7.818 ( -0.000 -45.882 -1.174) 45.897 10.380 ( -0.000 -22.465 -4.096) 22.835 10.739 ( -0.000 -3.864 -0.176) 3.868 11.102 ( -0.000 0.052 4.207) 4.208 13.586 ( 0.000 -5.248 -4.540) 6.939 14.959 ( -0.000 -7.685 8.223) 11.255 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -0.000 0.000 6.931) 6.931 0.943 ( -0.000 0.000 6.931) 6.931 1.779 ( -0.000 0.000 15.600) 15.600 1.947 ( 0.000 -0.000 -0.865) 0.865 1.947 ( 0.000 -0.000 -0.865) 0.865 4.087 ( 0.000 -0.000 -3.956) 3.956 4.778 ( -0.000 0.000 5.893) 5.893 4.778 ( 0.000 0.000 5.893) 5.893 5.082 ( 0.000 -0.000 -5.582) 5.582 5.082 ( 0.000 -0.000 -5.582) 5.582 6.930 ( -0.000 0.000 1.220) 1.220 8.861 ( -0.000 0.000 2.090) 2.090 10.030 ( -0.000 0.000 1.454) 1.454 10.030 ( -0.000 0.000 1.454) 1.454 11.303 ( 0.000 -0.000 -1.433) 1.433 11.303 ( 0.000 -0.000 -1.433) 1.433 13.175 ( 0.000 -0.000 -1.369) 1.369 16.223 ( -0.000 0.000 0.106) 0.106 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 9.870 5.699 6.479) 13.110 1.244 ( 18.374 10.608 4.755) 21.743 1.651 ( -3.265 -1.885 3.485) 5.134 1.966 ( 1.697 0.980 -0.690) 2.077 2.318 ( 22.035 12.722 4.430) 25.827 4.085 ( 1.134 0.655 -3.069) 3.337 4.744 ( 1.683 0.972 6.359) 6.649 4.824 ( -14.369 -8.296 -1.909) 16.701 4.916 ( 5.410 3.123 5.196) 8.125 5.334 ( 16.792 9.695 -6.811) 20.552 7.027 ( 7.060 4.076 1.352) 8.264 8.436 ( -24.643 -14.227 0.186) 28.455 9.870 ( -14.369 -8.296 1.461) 16.656 10.588 ( 32.247 18.618 -3.273) 37.379 11.229 ( -6.010 -3.470 -0.760) 6.982 11.242 ( -5.117 -2.954 -1.370) 6.065 13.223 ( 5.023 2.900 -1.292) 5.942 16.048 ( -14.464 -8.351 0.992) 16.731 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 11.562 6.676 4.350) 14.042 1.501 ( 2.491 1.438 9.211) 9.650 1.880 ( 22.190 12.811 -7.844) 26.796 2.010 ( 2.221 1.282 -0.457) 2.605 2.860 ( 23.992 13.852 2.205) 27.791 4.130 ( 3.649 2.107 -1.234) 4.390 4.512 ( -11.777 -6.799 5.478) 14.661 4.888 ( 8.903 5.140 5.869) 11.838 5.085 ( 8.308 4.797 3.293) 10.143 5.752 ( 21.423 12.368 -7.229) 25.772 7.194 ( 5.853 3.379 4.514) 8.128 7.939 ( -19.680 -11.362 -4.173) 23.104 9.405 ( -27.087 -15.639 1.544) 31.316 11.014 ( -6.084 -3.512 -5.568) 8.964 11.078 ( -8.611 -4.972 -1.102) 10.004 11.110 ( 7.161 4.134 0.860) 8.313 13.395 ( 9.738 5.622 -0.773) 11.271 15.649 ( -19.640 -11.339 -0.296) 22.680 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 8.567 4.946 2.569) 10.220 1.600 ( 4.977 2.874 4.137) 7.082 2.056 ( 1.894 1.093 -0.238) 2.199 2.336 ( 18.734 10.816 -8.093) 23.097 3.348 ( 17.867 10.316 -1.166) 20.664 4.235 ( 5.420 3.129 3.057) 6.965 4.406 ( 0.993 0.573 9.196) 9.267 5.157 ( 12.794 7.387 4.852) 15.550 5.291 ( 8.520 4.919 3.043) 10.298 6.190 ( 18.399 10.623 -7.269) 22.455 7.261 ( -3.410 -1.969 -3.600) 5.335 7.496 ( -18.060 -10.427 4.196) 21.272 8.687 ( -36.589 -21.125 1.598) 42.280 10.748 ( -14.250 -8.227 1.336) 16.509 10.877 ( -8.256 -4.767 -0.554) 9.550 11.160 ( -2.146 -1.239 -3.793) 4.531 13.578 ( 4.692 2.709 1.936) 5.754 15.230 ( -15.505 -8.952 -4.742) 18.521 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.000 12.386 0.795) 12.412 1.233 ( 0.000 23.878 5.541) 24.513 1.648 ( -0.000 -8.031 3.719) 8.851 1.963 ( 0.000 1.956 -0.441) 2.005 2.329 ( 0.000 24.967 3.685) 25.237 4.077 ( 0.000 1.584 -2.437) 2.907 4.666 ( -0.000 -8.456 8.382) 11.906 4.883 ( 0.000 3.136 -6.975) 7.648 5.127 ( 0.000 3.571 -10.443) 11.037 5.182 ( -0.000 17.513 7.768) 19.159 7.027 ( 0.000 7.974 1.407) 8.097 8.437 ( -0.000 -29.045 0.163) 29.045 9.879 ( -0.000 -16.252 0.582) 16.263 10.562 ( 0.000 34.253 -0.538) 34.257 11.232 ( -0.000 -6.153 -0.497) 6.173 11.243 ( 0.000 -4.691 -2.160) 5.165 13.219 ( 0.000 5.784 -0.939) 5.860 16.044 ( -0.000 -17.585 1.394) 17.640 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 5.581 12.003 1.342) 13.304 1.564 ( -0.426 8.120 9.856) 12.778 1.662 ( 14.513 14.087 -6.978) 21.395 2.000 ( 1.565 2.647 -0.286) 3.088 2.718 ( 14.044 23.565 2.187) 27.519 4.107 ( 1.719 3.297 -1.222) 3.914 4.539 ( -5.794 -10.597 2.239) 12.284 4.938 ( 3.911 10.061 -3.066) 11.222 5.186 ( -1.273 13.887 4.141) 14.547 5.476 ( 14.649 12.109 -3.383) 19.305 7.163 ( 4.752 7.374 2.550) 9.136 8.054 ( -12.267 -20.799 -2.069) 24.236 9.575 ( -13.390 -22.668 0.558) 26.334 10.901 ( 5.557 5.875 -0.528) 8.104 11.096 ( -6.332 -9.912 -0.496) 11.772 11.202 ( 0.504 3.223 -2.139) 3.901 13.339 ( 5.554 9.827 -0.731) 11.312 15.754 ( -11.106 -20.875 1.217) 23.677 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 6.179 5.680 1.268) 8.488 1.644 ( 1.801 9.026 3.286) 9.773 2.037 ( 3.689 3.249 -0.714) 4.967 2.128 ( 15.524 15.118 -4.066) 22.047 3.201 ( 16.049 19.778 -0.705) 25.480 4.187 ( 3.587 2.900 0.876) 4.695 4.407 ( -0.083 -3.435 3.785) 5.112 5.154 ( 7.157 13.015 0.830) 14.877 5.323 ( -1.517 15.058 7.955) 17.097 5.886 ( 22.534 8.497 -7.111) 25.110 7.282 ( 0.585 2.869 -1.320) 3.212 7.646 ( -13.853 -16.430 1.437) 21.539 9.007 ( -25.766 -25.585 0.734) 36.318 10.837 ( -6.084 -10.667 -3.145) 12.676 10.841 ( -6.103 -14.677 2.331) 16.066 11.248 ( -3.418 3.215 -0.305) 4.702 13.553 ( 6.342 9.833 0.744) 11.725 15.330 ( -14.167 -19.034 -2.254) 23.834 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.000 12.914 -2.321) 13.121 1.569 ( 0.000 0.195 -3.490) 3.496 1.801 ( 0.000 27.184 7.135) 28.104 2.008 ( 0.000 2.601 -0.045) 2.601 2.861 ( 0.000 26.783 1.963) 26.855 4.128 ( 0.000 4.868 -0.959) 4.961 4.538 ( -0.000 -8.229 -0.150) 8.230 4.955 ( 0.000 9.803 -7.518) 12.354 5.150 ( 0.000 7.430 -9.244) 11.860 5.671 ( -0.000 24.787 8.893) 26.334 7.202 ( -0.000 6.668 2.980) 7.303 7.930 ( -0.000 -22.466 -2.409) 22.595 9.416 ( -0.000 -31.071 -0.499) 31.075 10.953 ( -0.000 -1.147 5.623) 5.739 11.071 ( -0.000 -9.907 0.338) 9.913 11.154 ( 0.000 2.447 -6.808) 7.235 13.395 ( 0.000 11.851 -0.770) 11.876 15.631 ( -0.000 -24.158 3.133) 24.360 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -0.000 0.000 2.381) 2.381 0.990 ( -0.000 0.000 2.381) 2.381 1.885 ( -0.000 0.000 5.555) 5.555 1.941 ( 0.000 -0.000 -0.332) 0.332 1.941 ( 0.000 -0.000 -0.332) 0.332 4.057 ( 0.000 -0.000 -1.663) 1.663 4.825 ( 0.000 0.000 2.981) 2.981 4.825 ( -0.000 0.000 2.981) 2.981 5.036 ( 0.000 -0.000 -2.870) 2.870 5.036 ( 0.000 -0.000 -2.870) 2.870 6.939 ( -0.000 0.000 0.508) 0.508 8.875 ( -0.000 0.000 0.725) 0.725 10.040 ( -0.000 0.000 0.523) 0.523 10.040 ( -0.000 0.000 0.523) 0.523 11.293 ( 0.000 -0.000 -0.515) 0.515 11.293 ( 0.000 -0.000 -0.515) 0.515 13.166 ( 0.000 -0.000 -0.488) 0.488 16.224 ( -0.000 0.000 0.037) 0.037 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 9.925 5.730 3.019) 11.852 1.265 ( 20.306 11.724 -0.575) 23.455 1.666 ( -6.689 -3.862 -0.140) 7.725 1.962 ( 1.716 0.991 -0.174) 1.989 2.345 ( 21.862 12.622 0.623) 25.252 4.067 ( 1.381 0.797 -0.457) 1.659 4.752 ( -8.322 -4.805 -8.773) 13.012 4.812 ( 1.720 0.993 7.092) 7.365 5.017 ( 1.674 0.966 11.500) 11.661 5.261 ( 16.433 9.488 -7.771) 20.505 7.034 ( 7.466 4.311 -0.022) 8.621 8.438 ( -25.710 -14.844 0.051) 29.688 9.880 ( -14.217 -8.208 0.490) 16.424 10.566 ( 30.340 17.517 -1.294) 35.058 11.229 ( -5.322 -3.073 0.714) 6.187 11.232 ( -5.196 -3.000 -0.488) 6.020 13.215 ( 4.939 2.852 -0.196) 5.707 16.052 ( -14.446 -8.340 -0.218) 16.682 =================== 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 3/60750 10.0 1564.973 1564.973 1901.461 0.000 -0.000 -0.000 3/60750 20.0 297.610 297.610 154.568 0.000 -0.000 -0.000 3/60750 30.0 101.919 101.919 49.841 0.000 -0.000 -0.000 3/60750 40.0 49.902 49.902 24.043 0.000 -0.000 -0.000 3/60750 50.0 30.172 30.172 14.256 0.000 -0.000 -0.000 3/60750 60.0 20.841 20.841 9.653 0.000 -0.000 -0.000 3/60750 70.0 15.710 15.710 7.153 0.000 -0.000 -0.000 3/60750 80.0 12.564 12.564 5.641 0.000 -0.000 -0.000 3/60750 90.0 10.474 10.474 4.651 0.000 -0.000 -0.000 3/60750 100.0 8.998 8.998 3.959 0.000 -0.000 -0.000 3/60750 110.0 7.903 7.903 3.453 0.000 -0.000 -0.000 3/60750 120.0 7.061 7.061 3.068 0.000 -0.000 -0.000 3/60750 130.0 6.392 6.392 2.766 0.000 -0.000 -0.000 3/60750 140.0 5.848 5.848 2.522 0.000 -0.000 -0.000 3/60750 150.0 5.395 5.395 2.321 0.000 -0.000 -0.000 3/60750 160.0 5.013 5.013 2.153 0.000 -0.000 -0.000 3/60750 170.0 4.685 4.685 2.010 0.000 -0.000 -0.000 3/60750 180.0 4.400 4.400 1.886 0.000 -0.000 -0.000 3/60750 190.0 4.150 4.150 1.779 0.000 -0.000 -0.000 3/60750 200.0 3.929 3.929 1.683 0.000 -0.000 -0.000 3/60750 210.0 3.731 3.731 1.599 0.000 -0.000 -0.000 3/60750 220.0 3.554 3.554 1.523 0.000 -0.000 -0.000 3/60750 230.0 3.393 3.393 1.454 0.000 -0.000 -0.000 3/60750 240.0 3.246 3.246 1.392 0.000 -0.000 -0.000 3/60750 250.0 3.113 3.113 1.335 0.000 -0.000 -0.000 3/60750 260.0 2.990 2.990 1.283 0.000 -0.000 -0.000 3/60750 270.0 2.877 2.877 1.235 0.000 -0.000 -0.000 3/60750 280.0 2.772 2.772 1.190 0.000 -0.000 -0.000 3/60750 290.0 2.675 2.675 1.149 0.000 -0.000 -0.000 3/60750 300.0 2.585 2.585 1.111 0.000 -0.000 -0.000 3/60750 310.0 2.500 2.500 1.075 0.000 -0.000 -0.000 3/60750 320.0 2.421 2.421 1.041 0.000 -0.000 -0.000 3/60750 330.0 2.347 2.347 1.010 0.000 -0.000 -0.000 3/60750 340.0 2.278 2.278 0.980 0.000 -0.000 -0.000 3/60750 350.0 2.212 2.212 0.953 0.000 -0.000 -0.000 3/60750 360.0 2.151 2.151 0.926 0.000 -0.000 -0.000 3/60750 370.0 2.092 2.092 0.901 0.000 -0.000 -0.000 3/60750 380.0 2.037 2.037 0.878 0.000 -0.000 -0.000 3/60750 390.0 1.985 1.985 0.856 0.000 -0.000 -0.000 3/60750 400.0 1.935 1.935 0.834 0.000 -0.000 -0.000 3/60750 410.0 1.887 1.887 0.814 0.000 -0.000 -0.000 3/60750 420.0 1.842 1.842 0.795 0.000 -0.000 -0.000 3/60750 430.0 1.800 1.800 0.777 0.000 -0.000 -0.000 3/60750 440.0 1.759 1.759 0.759 0.000 -0.000 -0.000 3/60750 450.0 1.719 1.719 0.743 0.000 -0.000 -0.000 3/60750 460.0 1.682 1.682 0.727 0.000 -0.000 -0.000 3/60750 470.0 1.646 1.646 0.711 0.000 -0.000 -0.000 3/60750 480.0 1.612 1.612 0.697 0.000 -0.000 -0.000 3/60750 490.0 1.579 1.579 0.682 0.000 -0.000 -0.000 3/60750 500.0 1.547 1.547 0.669 0.000 -0.000 -0.000 3/60750 510.0 1.517 1.517 0.656 0.000 -0.000 -0.000 3/60750 520.0 1.488 1.488 0.643 0.000 -0.000 -0.000 3/60750 530.0 1.460 1.460 0.631 0.000 -0.000 -0.000 3/60750 540.0 1.433 1.433 0.620 0.000 -0.000 -0.000 3/60750 550.0 1.407 1.407 0.609 0.000 -0.000 -0.000 3/60750 560.0 1.382 1.382 0.598 0.000 -0.000 -0.000 3/60750 570.0 1.358 1.358 0.587 0.000 -0.000 -0.000 3/60750 580.0 1.334 1.334 0.577 0.000 -0.000 -0.000 3/60750 590.0 1.312 1.312 0.568 0.000 -0.000 -0.000 3/60750 600.0 1.290 1.290 0.558 0.000 -0.000 -0.000 3/60750 610.0 1.269 1.269 0.549 0.000 -0.000 -0.000 3/60750 620.0 1.248 1.248 0.540 0.000 -0.000 -0.000 3/60750 630.0 1.228 1.228 0.532 0.000 -0.000 -0.000 3/60750 640.0 1.209 1.209 0.524 0.000 -0.000 -0.000 3/60750 650.0 1.191 1.191 0.516 0.000 -0.000 -0.000 3/60750 660.0 1.173 1.173 0.508 0.000 -0.000 -0.000 3/60750 670.0 1.155 1.155 0.500 0.000 -0.000 -0.000 3/60750 680.0 1.138 1.138 0.493 0.000 -0.000 -0.000 3/60750 690.0 1.122 1.122 0.486 0.000 -0.000 -0.000 3/60750 700.0 1.106 1.106 0.479 0.000 -0.000 -0.000 3/60750 710.0 1.090 1.090 0.472 0.000 -0.000 -0.000 3/60750 720.0 1.075 1.075 0.466 0.000 -0.000 -0.000 3/60750 730.0 1.060 1.060 0.460 0.000 -0.000 -0.000 3/60750 740.0 1.046 1.046 0.453 0.000 -0.000 -0.000 3/60750 750.0 1.032 1.032 0.447 0.000 -0.000 -0.000 3/60750 760.0 1.018 1.018 0.442 0.000 -0.000 -0.000 3/60750 770.0 1.005 1.005 0.436 0.000 -0.000 -0.000 3/60750 780.0 0.992 0.992 0.430 0.000 -0.000 -0.000 3/60750 790.0 0.980 0.980 0.425 0.000 -0.000 -0.000 3/60750 800.0 0.968 0.968 0.420 0.000 -0.000 -0.000 3/60750 810.0 0.956 0.956 0.414 0.000 -0.000 -0.000 3/60750 820.0 0.944 0.944 0.409 0.000 -0.000 -0.000 3/60750 830.0 0.933 0.933 0.404 0.000 -0.000 -0.000 3/60750 840.0 0.921 0.921 0.400 0.000 -0.000 -0.000 3/60750 850.0 0.911 0.911 0.395 0.000 -0.000 -0.000 3/60750 860.0 0.900 0.900 0.390 0.000 -0.000 -0.000 3/60750 870.0 0.890 0.890 0.386 0.000 -0.000 -0.000 3/60750 880.0 0.880 0.880 0.382 0.000 -0.000 -0.000 3/60750 890.0 0.870 0.870 0.377 0.000 -0.000 -0.000 3/60750 900.0 0.860 0.860 0.373 0.000 -0.000 -0.000 3/60750 910.0 0.851 0.851 0.369 0.000 -0.000 -0.000 3/60750 920.0 0.841 0.841 0.365 0.000 -0.000 -0.000 3/60750 930.0 0.832 0.832 0.361 0.000 -0.000 -0.000 3/60750 940.0 0.824 0.824 0.357 0.000 -0.000 -0.000 3/60750 950.0 0.815 0.815 0.354 0.000 -0.000 -0.000 3/60750 960.0 0.806 0.806 0.350 0.000 -0.000 -0.000 3/60750 970.0 0.798 0.798 0.346 0.000 -0.000 -0.000 3/60750 980.0 0.790 0.790 0.343 0.000 -0.000 -0.000 3/60750 990.0 0.782 0.782 0.339 0.000 -0.000 -0.000 3/60750 1000.0 0.774 0.774 0.336 0.000 -0.000 -0.000 3/60750 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:19:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|