----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:40:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 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: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.644438964953944 0.949417279082067 5.470014213333328 b -1.644438964953941 0.949417279082067 5.470014213333328 c 0.000000000000002 -1.898834558164137 5.470014213333328 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *2 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 *3 O 0.76417744293843 0.76417744293843 0.76417744293843 15.999 4 O 0.23582255706157 0.23582255706158 0.23582255706157 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.288877929907885 0.000000000000000 0.000000000000000 b -1.644438964953943 2.848251837246205 0.000000000000000 c 0.000000000000000 0.000000000000000 16.410042640000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.66666666666667 0.33333333333333 0.33333333333333 22.990 > 1 3 Na 0.33333333333333 0.66666666666667 0.66666666666667 22.990 > 1 *4 Lu 0.66666666666667 0.33333333333333 0.83333333333333 174.967 > 2 5 Lu 0.33333333333333 0.66666666666667 0.16666666666667 174.967 > 2 6 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 2 *7 O 0.00000000000000 0.00000000000000 0.76417744293843 15.999 > 3 8 O 0.33333333333333 0.66666666666667 0.90248922372824 15.999 > 4 9 O 0.66666666666667 0.33333333333333 0.09751077627176 15.999 > 3 10 O 0.00000000000000 0.00000000000000 0.23582255706157 15.999 > 4 11 O 0.33333333333333 0.66666666666667 0.43084410960509 15.999 > 3 12 O 0.66666666666667 0.33333333333333 0.56915589039491 15.999 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.866633789723656 0.000000000000000 0.000000000000000 b -4.933316894861829 8.544755511738614 0.000000000000000 c 0.000000000000000 0.000000000000000 16.410042640000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 1 4 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 1 5 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 1 6 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 1 7 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 1 8 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 1 9 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 1 10 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 1 11 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 1 12 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 1 13 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 1 14 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 1 15 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 1 16 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 1 17 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 1 18 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 1 19 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 1 20 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 1 21 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 1 22 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 1 23 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 1 24 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 1 25 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 1 26 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 1 27 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 1 *28 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 2 29 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 2 30 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 2 31 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 2 32 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 2 33 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 2 34 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 2 35 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 2 36 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 2 37 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 2 38 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 2 39 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 2 40 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 2 41 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 2 42 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 2 43 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 2 44 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 2 45 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 2 46 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 2 47 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 2 48 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 2 49 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 2 50 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 2 51 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 2 52 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 2 53 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 2 54 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 2 *55 O 0.00000000000000 0.00000000000000 0.76417744293843 15.999 > 3 56 O 0.33333333333333 0.00000000000000 0.76417744293843 15.999 > 3 57 O 0.66666666666667 0.00000000000000 0.76417744293843 15.999 > 3 58 O 0.00000000000000 0.33333333333333 0.76417744293843 15.999 > 3 59 O 0.33333333333333 0.33333333333333 0.76417744293843 15.999 > 3 60 O 0.66666666666667 0.33333333333333 0.76417744293843 15.999 > 3 61 O 0.00000000000000 0.66666666666667 0.76417744293843 15.999 > 3 62 O 0.33333333333333 0.66666666666667 0.76417744293843 15.999 > 3 63 O 0.66666666666667 0.66666666666667 0.76417744293843 15.999 > 3 64 O 0.11111111111111 0.22222222222222 0.90248922372824 15.999 > 4 65 O 0.44444444444444 0.22222222222222 0.90248922372824 15.999 > 4 66 O 0.77777777777778 0.22222222222222 0.90248922372824 15.999 > 4 67 O 0.11111111111111 0.55555555555556 0.90248922372824 15.999 > 4 68 O 0.44444444444444 0.55555555555556 0.90248922372824 15.999 > 4 69 O 0.77777777777778 0.55555555555556 0.90248922372824 15.999 > 4 70 O 0.11111111111111 0.88888888888889 0.90248922372824 15.999 > 4 71 O 0.44444444444444 0.88888888888889 0.90248922372824 15.999 > 4 72 O 0.77777777777778 0.88888888888889 0.90248922372824 15.999 > 4 73 O 0.22222222222222 0.11111111111111 0.09751077627176 15.999 > 3 74 O 0.55555555555556 0.11111111111111 0.09751077627176 15.999 > 3 75 O 0.88888888888889 0.11111111111111 0.09751077627176 15.999 > 3 76 O 0.22222222222222 0.44444444444444 0.09751077627176 15.999 > 3 77 O 0.55555555555556 0.44444444444444 0.09751077627176 15.999 > 3 78 O 0.88888888888889 0.44444444444444 0.09751077627176 15.999 > 3 79 O 0.22222222222222 0.77777777777778 0.09751077627176 15.999 > 3 80 O 0.55555555555556 0.77777777777778 0.09751077627176 15.999 > 3 81 O 0.88888888888889 0.77777777777778 0.09751077627176 15.999 > 3 82 O 0.00000000000000 0.00000000000000 0.23582255706157 15.999 > 4 83 O 0.33333333333333 0.00000000000000 0.23582255706157 15.999 > 4 84 O 0.66666666666667 0.00000000000000 0.23582255706157 15.999 > 4 85 O 0.00000000000000 0.33333333333333 0.23582255706157 15.999 > 4 86 O 0.33333333333333 0.33333333333333 0.23582255706157 15.999 > 4 87 O 0.66666666666667 0.33333333333333 0.23582255706157 15.999 > 4 88 O 0.00000000000000 0.66666666666667 0.23582255706157 15.999 > 4 89 O 0.33333333333333 0.66666666666667 0.23582255706157 15.999 > 4 90 O 0.66666666666667 0.66666666666667 0.23582255706157 15.999 > 4 91 O 0.11111111111111 0.22222222222222 0.43084410960509 15.999 > 3 92 O 0.44444444444444 0.22222222222222 0.43084410960509 15.999 > 3 93 O 0.77777777777778 0.22222222222222 0.43084410960509 15.999 > 3 94 O 0.11111111111111 0.55555555555556 0.43084410960509 15.999 > 3 95 O 0.44444444444444 0.55555555555556 0.43084410960509 15.999 > 3 96 O 0.77777777777778 0.55555555555556 0.43084410960509 15.999 > 3 97 O 0.11111111111111 0.88888888888889 0.43084410960509 15.999 > 3 98 O 0.44444444444444 0.88888888888889 0.43084410960509 15.999 > 3 99 O 0.77777777777778 0.88888888888889 0.43084410960509 15.999 > 3 100 O 0.22222222222222 0.11111111111111 0.56915589039491 15.999 > 4 101 O 0.55555555555556 0.11111111111111 0.56915589039491 15.999 > 4 102 O 0.88888888888889 0.11111111111111 0.56915589039491 15.999 > 4 103 O 0.22222222222222 0.44444444444444 0.56915589039491 15.999 > 4 104 O 0.55555555555556 0.44444444444444 0.56915589039491 15.999 > 4 105 O 0.88888888888889 0.44444444444444 0.56915589039491 15.999 > 4 106 O 0.22222222222222 0.77777777777778 0.56915589039491 15.999 > 4 107 O 0.55555555555556 0.77777777777778 0.56915589039491 15.999 > 4 108 O 0.88888888888889 0.77777777777778 0.56915589039491 15.999 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7909165 -0.0000000 0.0000000 0.0000000 3.7909165 0.0000000 0.0000000 0.0000000 3.0389164 -------------------------- Born effective charges -------------------------- 1 Na 0.9775849 -0.0000000 0.0000000 0.0000000 0.9775849 0.0000000 0.0000000 0.0000000 1.3488803 2 Lu 4.0558137 0.0000000 0.0000000 0.0000000 4.0558137 0.0000000 0.0000000 0.0000000 2.1866088 3 O -2.5166993 0.0000000 0.0000000 0.0000000 -2.5166993 0.0000000 0.0000000 0.0000000 -1.7677446 4 O -2.5166993 0.0000000 0.0000000 0.0000000 -2.5166993 0.0000000 0.0000000 0.0000000 -1.7677446 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 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: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.125 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.132 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 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: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:40:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:40:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 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 1.644438964953944 0.949417279082067 5.470014213333328 b -1.644438964953941 0.949417279082067 5.470014213333328 c 0.000000000000002 -1.898834558164137 5.470014213333328 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 3 O 0.76417744293843 0.76417744293843 0.76417744293843 15.999 4 O 0.23582255706157 0.23582255706158 0.23582255706157 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.866633789723656 0.000000000000000 0.000000000000000 b -4.933316894861829 8.544755511738614 0.000000000000000 c 0.000000000000000 0.000000000000000 16.410042640000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 1 4 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 1 5 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 1 6 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 1 7 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 1 8 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 1 9 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 1 10 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 1 11 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 1 12 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 1 13 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 1 14 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 1 15 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 1 16 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 1 17 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 1 18 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 1 19 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 1 20 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 1 21 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 1 22 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 1 23 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 1 24 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 1 25 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 1 26 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 1 27 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 1 28 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 28 29 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 28 30 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 28 31 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 28 32 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 28 33 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 28 34 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 28 35 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 28 36 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 28 37 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 28 38 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 28 39 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 28 40 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 28 41 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 28 42 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 28 43 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 28 44 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 28 45 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 28 46 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 28 47 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 28 48 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 28 49 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 28 50 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 28 51 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 28 52 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 28 53 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 28 54 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 28 55 O 0.00000000000000 0.00000000000000 0.76417744293843 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.76417744293843 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.76417744293843 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.76417744293843 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.76417744293843 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.76417744293843 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.76417744293843 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.76417744293843 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.76417744293843 15.999 > 55 64 O 0.11111111111111 0.22222222222222 0.90248922372824 15.999 > 64 65 O 0.44444444444444 0.22222222222222 0.90248922372824 15.999 > 64 66 O 0.77777777777778 0.22222222222222 0.90248922372824 15.999 > 64 67 O 0.11111111111111 0.55555555555556 0.90248922372824 15.999 > 64 68 O 0.44444444444444 0.55555555555556 0.90248922372824 15.999 > 64 69 O 0.77777777777778 0.55555555555556 0.90248922372824 15.999 > 64 70 O 0.11111111111111 0.88888888888889 0.90248922372824 15.999 > 64 71 O 0.44444444444444 0.88888888888889 0.90248922372824 15.999 > 64 72 O 0.77777777777778 0.88888888888889 0.90248922372824 15.999 > 64 73 O 0.22222222222222 0.11111111111111 0.09751077627176 15.999 > 55 74 O 0.55555555555556 0.11111111111111 0.09751077627176 15.999 > 55 75 O 0.88888888888889 0.11111111111111 0.09751077627176 15.999 > 55 76 O 0.22222222222222 0.44444444444444 0.09751077627176 15.999 > 55 77 O 0.55555555555556 0.44444444444444 0.09751077627176 15.999 > 55 78 O 0.88888888888889 0.44444444444444 0.09751077627176 15.999 > 55 79 O 0.22222222222222 0.77777777777778 0.09751077627176 15.999 > 55 80 O 0.55555555555556 0.77777777777778 0.09751077627176 15.999 > 55 81 O 0.88888888888889 0.77777777777778 0.09751077627176 15.999 > 55 82 O 0.00000000000000 0.00000000000000 0.23582255706157 15.999 > 64 83 O 0.33333333333333 0.00000000000000 0.23582255706157 15.999 > 64 84 O 0.66666666666667 0.00000000000000 0.23582255706157 15.999 > 64 85 O 0.00000000000000 0.33333333333333 0.23582255706157 15.999 > 64 86 O 0.33333333333333 0.33333333333333 0.23582255706157 15.999 > 64 87 O 0.66666666666667 0.33333333333333 0.23582255706157 15.999 > 64 88 O 0.00000000000000 0.66666666666667 0.23582255706157 15.999 > 64 89 O 0.33333333333333 0.66666666666667 0.23582255706157 15.999 > 64 90 O 0.66666666666667 0.66666666666667 0.23582255706157 15.999 > 64 91 O 0.11111111111111 0.22222222222222 0.43084410960509 15.999 > 55 92 O 0.44444444444444 0.22222222222222 0.43084410960509 15.999 > 55 93 O 0.77777777777778 0.22222222222222 0.43084410960509 15.999 > 55 94 O 0.11111111111111 0.55555555555556 0.43084410960509 15.999 > 55 95 O 0.44444444444444 0.55555555555556 0.43084410960509 15.999 > 55 96 O 0.77777777777778 0.55555555555556 0.43084410960509 15.999 > 55 97 O 0.11111111111111 0.88888888888889 0.43084410960509 15.999 > 55 98 O 0.44444444444444 0.88888888888889 0.43084410960509 15.999 > 55 99 O 0.77777777777778 0.88888888888889 0.43084410960509 15.999 > 55 100 O 0.22222222222222 0.11111111111111 0.56915589039491 15.999 > 64 101 O 0.55555555555556 0.11111111111111 0.56915589039491 15.999 > 64 102 O 0.88888888888889 0.11111111111111 0.56915589039491 15.999 > 64 103 O 0.22222222222222 0.44444444444444 0.56915589039491 15.999 > 64 104 O 0.55555555555556 0.44444444444444 0.56915589039491 15.999 > 64 105 O 0.88888888888889 0.44444444444444 0.56915589039491 15.999 > 64 106 O 0.22222222222222 0.77777777777778 0.56915589039491 15.999 > 64 107 O 0.55555555555556 0.77777777777778 0.56915589039491 15.999 > 64 108 O 0.88888888888889 0.77777777777778 0.56915589039491 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7909165 -0.0000000 0.0000000 0.0000000 3.7909165 0.0000000 0.0000000 0.0000000 3.0389164 -------------------------- Born effective charges -------------------------- 1 Na 0.9775849 -0.0000000 0.0000000 0.0000000 0.9775849 0.0000000 0.0000000 0.0000000 1.3488803 2 Lu 4.0558137 0.0000000 0.0000000 0.0000000 4.0558137 0.0000000 0.0000000 0.0000000 2.1866088 3 O -2.5166993 0.0000000 0.0000000 0.0000000 -2.5166993 0.0000000 0.0000000 0.0000000 -1.7677446 4 O -2.5166993 0.0000000 0.0000000 0.0000000 -2.5166993 0.0000000 0.0000000 0.0000000 -1.7677446 ---------------------------------------------------------------------------- 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[ 28, 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[ 55, 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: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:40:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:40:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 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 1.644438964953944 0.949417279082067 5.470014213333328 b -1.644438964953941 0.949417279082067 5.470014213333328 c 0.000000000000002 -1.898834558164137 5.470014213333328 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 3 O 0.76417744293843 0.76417744293843 0.76417744293843 15.999 4 O 0.23582255706157 0.23582255706158 0.23582255706157 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.866633789723656 0.000000000000000 0.000000000000000 b -4.933316894861829 8.544755511738614 0.000000000000000 c 0.000000000000000 0.000000000000000 16.410042640000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 1 4 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 1 5 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 1 6 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 1 7 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 1 8 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 1 9 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 1 10 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 1 11 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 1 12 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 1 13 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 1 14 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 1 15 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 1 16 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 1 17 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 1 18 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 1 19 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 1 20 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 1 21 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 1 22 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 1 23 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 1 24 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 1 25 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 1 26 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 1 27 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 1 28 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 28 29 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 28 30 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 28 31 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 28 32 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 28 33 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 28 34 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 28 35 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 28 36 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 28 37 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 28 38 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 28 39 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 28 40 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 28 41 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 28 42 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 28 43 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 28 44 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 28 45 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 28 46 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 28 47 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 28 48 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 28 49 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 28 50 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 28 51 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 28 52 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 28 53 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 28 54 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 28 55 O 0.00000000000000 0.00000000000000 0.76417744293843 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.76417744293843 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.76417744293843 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.76417744293843 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.76417744293843 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.76417744293843 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.76417744293843 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.76417744293843 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.76417744293843 15.999 > 55 64 O 0.11111111111111 0.22222222222222 0.90248922372824 15.999 > 64 65 O 0.44444444444444 0.22222222222222 0.90248922372824 15.999 > 64 66 O 0.77777777777778 0.22222222222222 0.90248922372824 15.999 > 64 67 O 0.11111111111111 0.55555555555556 0.90248922372824 15.999 > 64 68 O 0.44444444444444 0.55555555555556 0.90248922372824 15.999 > 64 69 O 0.77777777777778 0.55555555555556 0.90248922372824 15.999 > 64 70 O 0.11111111111111 0.88888888888889 0.90248922372824 15.999 > 64 71 O 0.44444444444444 0.88888888888889 0.90248922372824 15.999 > 64 72 O 0.77777777777778 0.88888888888889 0.90248922372824 15.999 > 64 73 O 0.22222222222222 0.11111111111111 0.09751077627176 15.999 > 55 74 O 0.55555555555556 0.11111111111111 0.09751077627176 15.999 > 55 75 O 0.88888888888889 0.11111111111111 0.09751077627176 15.999 > 55 76 O 0.22222222222222 0.44444444444444 0.09751077627176 15.999 > 55 77 O 0.55555555555556 0.44444444444444 0.09751077627176 15.999 > 55 78 O 0.88888888888889 0.44444444444444 0.09751077627176 15.999 > 55 79 O 0.22222222222222 0.77777777777778 0.09751077627176 15.999 > 55 80 O 0.55555555555556 0.77777777777778 0.09751077627176 15.999 > 55 81 O 0.88888888888889 0.77777777777778 0.09751077627176 15.999 > 55 82 O 0.00000000000000 0.00000000000000 0.23582255706157 15.999 > 64 83 O 0.33333333333333 0.00000000000000 0.23582255706157 15.999 > 64 84 O 0.66666666666667 0.00000000000000 0.23582255706157 15.999 > 64 85 O 0.00000000000000 0.33333333333333 0.23582255706157 15.999 > 64 86 O 0.33333333333333 0.33333333333333 0.23582255706157 15.999 > 64 87 O 0.66666666666667 0.33333333333333 0.23582255706157 15.999 > 64 88 O 0.00000000000000 0.66666666666667 0.23582255706157 15.999 > 64 89 O 0.33333333333333 0.66666666666667 0.23582255706157 15.999 > 64 90 O 0.66666666666667 0.66666666666667 0.23582255706157 15.999 > 64 91 O 0.11111111111111 0.22222222222222 0.43084410960509 15.999 > 55 92 O 0.44444444444444 0.22222222222222 0.43084410960509 15.999 > 55 93 O 0.77777777777778 0.22222222222222 0.43084410960509 15.999 > 55 94 O 0.11111111111111 0.55555555555556 0.43084410960509 15.999 > 55 95 O 0.44444444444444 0.55555555555556 0.43084410960509 15.999 > 55 96 O 0.77777777777778 0.55555555555556 0.43084410960509 15.999 > 55 97 O 0.11111111111111 0.88888888888889 0.43084410960509 15.999 > 55 98 O 0.44444444444444 0.88888888888889 0.43084410960509 15.999 > 55 99 O 0.77777777777778 0.88888888888889 0.43084410960509 15.999 > 55 100 O 0.22222222222222 0.11111111111111 0.56915589039491 15.999 > 64 101 O 0.55555555555556 0.11111111111111 0.56915589039491 15.999 > 64 102 O 0.88888888888889 0.11111111111111 0.56915589039491 15.999 > 64 103 O 0.22222222222222 0.44444444444444 0.56915589039491 15.999 > 64 104 O 0.55555555555556 0.44444444444444 0.56915589039491 15.999 > 64 105 O 0.88888888888889 0.44444444444444 0.56915589039491 15.999 > 64 106 O 0.22222222222222 0.77777777777778 0.56915589039491 15.999 > 64 107 O 0.55555555555556 0.77777777777778 0.56915589039491 15.999 > 64 108 O 0.88888888888889 0.77777777777778 0.56915589039491 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7909165 -0.0000000 0.0000000 0.0000000 3.7909165 0.0000000 0.0000000 0.0000000 3.0389164 -------------------------- Born effective charges -------------------------- 1 Na 0.9775849 -0.0000000 0.0000000 0.0000000 0.9775849 0.0000000 0.0000000 0.0000000 1.3488803 2 Lu 4.0558137 0.0000000 0.0000000 0.0000000 4.0558137 0.0000000 0.0000000 0.0000000 2.1866088 3 O -2.5166993 0.0000000 0.0000000 0.0000000 -2.5166993 0.0000000 0.0000000 0.0000000 -1.7677446 4 O -2.5166993 0.0000000 0.0000000 0.0000000 -2.5166993 0.0000000 0.0000000 0.0000000 -1.7677446 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 18 18 18 ] 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: 1.12, Number of G-points: 325, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/580) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 7.358 ( 0.000 0.000 0.000) 0.000 8.264 ( 0.000 0.000 0.000) 0.000 8.264 ( 0.000 0.000 0.000) 0.000 11.123 ( 0.000 0.000 0.000) 0.000 11.842 ( 0.000 0.000 0.000) 0.000 11.842 ( 0.000 0.000 0.000) 0.000 15.095 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/580) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 22.340 12.898 10.358) 27.798 0.655 ( 27.779 16.038 6.868) 32.803 1.127 ( 49.711 28.701 -0.137) 57.401 4.077 ( 1.714 0.989 -0.794) 2.132 4.167 ( 8.325 4.807 0.374) 9.620 7.361 ( -0.798 -0.461 3.213) 3.342 8.316 ( 4.527 2.613 0.627) 5.264 10.838 ( -16.934 -9.777 -7.163) 20.825 11.816 ( -2.184 -1.261 -0.399) 2.553 12.050 ( 16.330 9.428 -14.513) 23.795 15.010 ( -7.451 -4.302 0.777) 8.639 16.676 ( 1.647 0.951 -15.965) 16.078 ======================= Grid point 2 (3/580) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 22.770 13.146 9.242) 27.869 1.291 ( 26.592 15.353 6.451) 31.376 2.229 ( 47.955 27.687 -0.303) 55.375 4.130 ( 3.215 1.856 -1.459) 3.989 4.433 ( 14.656 8.462 0.937) 16.950 7.346 ( -1.246 -0.719 0.951) 1.724 8.470 ( 8.824 5.095 1.145) 10.253 10.404 ( -19.354 -11.174 1.290) 22.385 11.746 ( -3.684 -2.127 -0.741) 4.317 12.367 ( 15.320 8.845 -15.257) 23.361 14.781 ( -13.079 -7.551 3.198) 15.437 16.634 ( -2.075 -1.198 -7.990) 8.342 ======================= Grid point 3 (4/580) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 22.466 12.971 7.837) 27.099 1.888 ( 24.410 14.093 5.722) 28.761 3.272 ( 44.511 25.698 -0.657) 51.401 4.209 ( 4.309 2.488 -1.904) 5.327 4.813 ( 18.212 10.515 1.446) 21.079 7.305 ( -2.603 -1.503 -0.528) 3.052 8.716 ( 12.422 7.172 1.491) 14.421 10.014 ( -15.304 -8.836 2.942) 17.915 11.654 ( -3.971 -2.293 -0.974) 4.688 12.612 ( 10.481 6.051 -14.228) 18.679 14.461 ( -16.567 -9.565 7.588) 20.580 16.522 ( -5.390 -3.112 -8.372) 10.431 ======================= Grid point 4 (5/580) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 20.602 11.894 6.406) 24.636 2.421 ( 21.191 12.235 4.690) 24.915 4.213 ( 38.872 22.443 -1.229) 44.902 4.307 ( 4.842 2.795 -2.083) 5.966 5.244 ( 19.270 11.125 1.703) 22.316 7.220 ( -4.715 -2.722 -1.694) 5.701 9.029 ( 14.570 8.412 1.666) 16.906 9.760 ( -7.734 -4.465 3.543) 9.608 11.571 ( -2.830 -1.634 -1.071) 3.439 12.722 ( 3.077 1.777 -14.791) 15.212 14.102 ( -18.303 -10.567 13.690) 25.181 16.349 ( -6.539 -3.775 -10.707) 13.102 ======================= Grid point 5 (6/580) ======================= q-point: ( 0.28 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 16.985 9.806 5.041) 20.250 2.868 ( 17.178 9.918 3.465) 20.135 4.409 ( 4.735 2.734 -2.001) 5.822 4.999 ( 31.088 17.949 -1.690) 35.937 5.677 ( 18.453 10.654 1.184) 21.340 7.083 ( -6.730 -3.886 -2.001) 8.025 9.366 ( 14.516 8.381 1.694) 16.848 9.702 ( 1.575 0.909 3.514) 3.957 11.528 ( -0.517 -0.298 -1.036) 1.196 12.637 ( -5.617 -3.243 -17.249) 18.429 13.729 ( -20.007 -11.551 18.762) 29.761 16.187 ( -3.740 -2.159 -11.180) 11.985 ======================= Grid point 6 (7/580) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 12.226 7.059 3.748) 14.606 3.216 ( 12.797 7.388 2.253) 14.947 4.502 ( 4.028 2.325 -1.695) 4.950 5.596 ( 22.489 12.984 -1.425) 26.007 6.069 ( 15.827 9.138 -0.677) 18.288 6.915 ( -7.368 -4.254 -1.020) 8.569 9.676 ( 12.093 6.982 1.556) 14.050 9.849 ( 10.179 5.877 2.854) 12.095 11.543 ( 2.067 1.193 -0.888) 2.546 12.380 ( -10.859 -6.269 -18.249) 22.141 13.304 ( -23.659 -13.660 18.438) 32.959 16.126 ( 1.221 0.705 -8.135) 8.256 ======================= Grid point 7 (8/580) ======================= q-point: ( 0.39 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 7.399 4.272 2.494) 8.900 3.460 ( 8.408 4.854 1.254) 9.789 4.576 ( 2.879 1.662 -1.222) 3.542 6.011 ( 14.917 8.612 -0.897) 17.248 6.367 ( 10.738 6.199 -3.069) 12.773 6.761 ( -5.897 -3.405 1.129) 6.902 9.910 ( 8.159 4.711 1.206) 9.499 10.158 ( 15.883 9.170 1.973) 18.446 11.606 ( 3.449 1.991 -0.640) 4.033 12.073 ( -10.133 -5.850 -17.062) 20.689 12.792 ( -26.396 -15.240 15.011) 33.976 16.171 ( 3.986 2.301 -4.010) 6.105 ======================= Grid point 8 (9/580) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 3.328 1.921 1.247) 4.040 3.605 ( 4.153 2.398 0.533) 4.825 4.622 ( 1.487 0.858 -0.638) 1.831 6.270 ( 8.465 4.887 -1.245) 9.854 6.505 ( 1.947 1.124 -2.315) 3.227 6.684 ( -0.821 -0.474 1.869) 2.095 10.049 ( 3.964 2.288 0.658) 4.624 10.534 ( 15.532 8.967 1.297) 17.981 11.677 ( 2.587 1.494 -0.329) 3.006 11.853 ( -3.383 -1.953 -15.405) 15.893 12.257 ( -24.059 -13.890 13.043) 30.690 16.248 ( 3.104 1.792 -1.319) 3.820 ======================= Grid point 9 (10/580) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 6.373 ( -0.000 -0.000 0.000) 0.000 6.498 ( 0.000 0.000 -0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 10.095 ( 0.000 0.000 -0.000) 0.000 10.747 ( 0.000 0.000 -0.000) 0.000 11.708 ( 0.000 0.000 0.000) 0.000 11.875 ( 0.000 0.000 -0.000) 0.000 11.883 ( -0.000 -0.000 0.000) 0.000 16.284 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 20 (11/580) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -0.000 23.385 15.301) 27.946 0.626 ( 0.000 31.283 1.451) 31.317 1.172 ( 0.000 56.602 8.381) 57.219 4.082 ( 0.000 2.271 0.176) 2.278 4.160 ( 0.000 9.380 -1.076) 9.442 7.373 ( -0.000 -2.687 5.374) 6.008 8.310 ( 0.000 4.965 -0.424) 4.983 10.763 ( 0.000 -12.567 -21.293) 24.726 11.819 ( -0.000 -2.360 0.203) 2.369 12.037 ( 0.000 20.912 -15.444) 25.997 15.012 ( -0.000 -8.727 1.081) 8.793 16.591 ( 0.000 9.139 -29.101) 30.503 ======================= Grid point 21 (12/580) ======================= q-point: ( 0.11 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 13.252 19.676 13.473) 27.282 1.135 ( 19.119 25.980 3.721) 32.471 1.966 ( 25.245 48.887 4.638) 55.215 4.119 ( 1.116 3.698 -0.660) 3.919 4.339 ( 8.245 12.475 -0.246) 14.955 7.356 ( -0.720 -1.731 1.849) 2.633 8.416 ( 5.187 7.401 0.246) 9.041 10.495 ( -8.168 -18.882 -4.229) 21.004 11.761 ( -2.531 -3.276 -0.346) 4.154 12.248 ( 6.918 18.890 -18.237) 27.153 14.859 ( -6.296 -12.090 2.831) 13.922 16.599 ( 1.249 1.507 -14.430) 14.562 ======================= Grid point 22 (13/580) ======================= q-point: ( 0.17 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 17.943 16.316 10.773) 26.537 1.727 ( 20.075 23.408 4.518) 31.167 2.916 ( 33.352 39.744 1.724) 51.912 4.188 ( 2.322 5.177 -1.421) 5.849 4.660 ( 13.827 13.780 0.796) 19.537 7.323 ( -1.656 -1.995 -0.117) 2.596 8.625 ( 9.029 10.005 1.049) 13.518 10.142 ( -11.692 -15.431 1.327) 19.406 11.680 ( -2.822 -3.343 -0.755) 4.440 12.473 ( 8.302 11.985 -17.985) 23.152 14.600 ( -10.630 -14.081 6.576) 18.828 16.539 ( -3.218 -2.107 -10.034) 10.746 ======================= Grid point 23 (14/580) ======================= q-point: ( 0.22 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 19.068 13.383 8.237) 24.710 2.285 ( 17.928 21.731 4.029) 28.459 3.842 ( 33.952 31.335 -0.451) 46.205 4.287 ( 3.040 7.019 -1.522) 7.799 5.061 ( 16.850 13.545 1.633) 21.681 7.254 ( -3.385 -2.986 -1.470) 4.747 8.915 ( 11.634 12.086 1.647) 16.856 9.849 ( -8.552 -9.286 2.867) 12.945 11.603 ( -2.833 -1.709 -0.936) 3.439 12.614 ( 5.421 4.192 -17.523) 18.815 14.287 ( -13.058 -14.947 12.062) 23.225 16.388 ( -6.619 -3.618 -10.785) 13.161 ======================= Grid point 24 (15/580) ======================= q-point: ( 0.28 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 17.850 9.955 6.064) 21.319 2.774 ( 14.238 20.011 2.955) 24.737 4.381 ( 4.261 6.967 -2.872) 8.657 4.680 ( 29.040 24.709 -0.732) 38.136 5.487 ( 17.553 12.334 1.976) 21.544 7.139 ( -5.390 -4.177 -1.991) 7.103 9.250 ( 12.354 12.691 2.180) 17.845 9.715 ( -1.620 -1.874 3.012) 3.900 11.553 ( -2.039 0.887 -1.004) 2.440 12.598 ( -0.996 -3.073 -18.672) 18.949 13.956 ( -14.807 -15.367 17.596) 27.659 16.201 ( -5.935 -3.277 -11.826) 13.631 ======================= Grid point 25 (16/580) ======================= q-point: ( 0.33 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 14.871 6.277 4.152) 16.666 3.170 ( 9.648 17.912 1.750) 20.420 4.495 ( 2.322 7.562 -2.177) 8.205 5.335 ( 24.183 17.191 -2.338) 29.763 5.893 ( 16.157 10.409 1.287) 19.263 6.985 ( -6.589 -4.763 -1.105) 8.205 9.574 ( 11.108 10.606 2.870) 15.624 9.785 ( 6.043 6.551 1.874) 9.107 11.547 ( -0.567 3.039 -0.993) 3.247 12.405 ( -7.185 -7.345 -19.481) 22.025 13.585 ( -18.803 -16.286 18.873) 31.225 16.078 ( -0.625 -1.817 -9.851) 10.037 ======================= Grid point 26 (17/580) ======================= q-point: ( 0.39 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 10.908 3.006 2.366) 11.559 3.459 ( 4.914 15.313 0.781) 16.101 4.591 ( 0.787 7.901 -1.601) 8.100 5.815 ( 17.933 10.739 -3.286) 21.159 6.228 ( 12.584 7.465 -0.418) 14.638 6.830 ( -6.145 -4.316 1.422) 7.643 9.855 ( 9.351 9.922 2.835) 13.926 10.027 ( 10.785 11.131 0.632) 15.512 11.574 ( 0.724 1.723 -1.269) 2.259 12.128 ( -8.898 -5.808 -17.877) 20.796 13.121 ( -23.855 -16.489 15.729) 32.990 16.078 ( 4.902 -1.270 -5.591) 7.543 ======================= Grid point 27 (18/580) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 6.778 0.476 0.620) 6.823 3.643 ( 0.644 12.494 0.273) 12.514 4.662 ( -1.039 7.859 -0.934) 7.982 6.135 ( 12.072 6.023 -5.108) 14.425 6.445 ( 6.702 3.529 -1.831) 7.792 6.719 ( -3.548 -3.079 5.419) 7.172 10.078 ( 2.867 11.771 1.884) 12.261 10.360 ( 15.481 10.387 0.030) 18.643 11.562 ( 1.428 -7.144 -3.854) 8.242 11.929 ( -5.998 3.144 -12.512) 14.227 12.597 ( -25.213 -13.164 12.471) 31.056 16.152 ( 6.682 -2.456 -2.189) 7.448 ======================= Grid point 28 (19/580) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( 3.058 -1.535 -1.038) 3.576 3.730 ( -3.217 9.940 0.151) 10.449 4.701 ( -2.931 7.371 -0.245) 7.936 6.310 ( 6.331 2.339 -7.690) 10.231 6.505 ( -0.087 -0.072 -0.095) 0.147 6.695 ( 0.074 -2.016 7.621) 7.884 10.189 ( -3.670 11.514 0.808) 12.112 10.684 ( 10.085 5.362 -0.383) 11.428 11.506 ( 6.483 -11.008 -5.112) 13.760 11.864 ( -3.091 2.875 -6.003) 7.339 12.179 ( -17.833 0.468 8.982) 19.973 16.216 ( 5.002 -4.558 -0.499) 6.786 ======================= Grid point 29 (20/580) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( -0.294 -3.553 -2.471) 4.338 3.730 ( -7.173 7.878 0.070) 10.654 4.705 ( -4.656 6.416 0.436) 7.939 6.318 ( -2.590 -3.184 -6.418) 7.619 6.510 ( 1.009 0.728 0.957) 1.569 6.690 ( -1.235 -2.743 6.786) 7.423 10.184 ( -8.551 8.341 -0.292) 11.949 10.680 ( -9.952 -5.517 -1.096) 11.431 11.536 ( 8.537 -9.683 0.856) 12.938 11.920 ( 7.253 3.119 3.630) 8.690 12.107 ( -0.517 15.777 -3.722) 16.219 16.222 ( 1.992 -6.314 0.580) 6.646 ======================= Grid point 30 (21/580) ======================= q-point: (-0.39 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -3.882 -5.876 -3.587) 7.904 3.640 ( -11.585 6.018 -0.312) 13.059 4.672 ( -6.072 5.093 1.091) 8.000 6.140 ( -9.826 -7.208 -4.043) 12.839 6.481 ( -6.649 -4.068 4.779) 9.143 6.699 ( 3.766 1.131 1.698) 4.283 10.062 ( -11.752 2.338 -1.307) 12.053 10.355 ( -17.314 -7.010 -0.979) 18.705 11.589 ( 3.836 -3.958 1.525) 5.719 12.065 ( 3.929 6.070 13.964) 15.725 12.462 ( 22.547 15.076 -14.029) 30.536 16.176 ( -0.057 -6.443 2.469) 6.900 ======================= Grid point 31 (22/580) ======================= q-point: (-0.33 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -8.216 -8.245 -4.405) 12.446 3.450 ( -16.407 3.812 -1.088) 16.880 4.608 ( -7.102 3.607 1.655) 8.136 5.821 ( -16.924 -10.041 -2.150) 19.796 6.249 ( -14.434 -7.951 3.786) 16.909 6.829 ( 7.442 3.303 1.189) 8.228 9.830 ( -13.119 -4.258 -2.164) 13.961 10.019 ( -16.036 -2.554 -1.014) 16.270 11.583 ( -2.113 0.352 0.501) 2.200 12.306 ( 10.801 5.181 17.052) 20.839 12.951 ( 24.868 11.653 -17.512) 32.571 16.136 ( 0.560 -4.119 5.695) 7.050 ======================= Grid point 32 (23/580) ======================= q-point: (-0.28 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -13.221 -10.052 -4.997) 17.344 3.151 ( -21.200 1.088 -2.073) 21.329 4.517 ( -7.664 2.164 2.042) 8.222 5.346 ( -26.199 -12.564 -0.175) 29.057 5.890 ( -18.362 -9.374 0.841) 20.634 7.000 ( 7.899 3.300 1.754) 8.738 9.548 ( -14.123 -5.030 -2.111) 15.140 9.767 ( -10.047 -1.030 -1.867) 10.271 11.555 ( -2.146 1.910 0.515) 2.919 12.590 ( 9.838 2.737 16.362) 19.287 13.393 ( 23.299 8.288 -18.556) 30.917 16.173 ( 3.674 -0.156 8.709) 9.453 ======================= Grid point 33 (24/580) ======================= q-point: (-0.22 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -18.208 -10.743 -5.342) 21.806 2.744 ( -25.428 -1.644 -2.961) 25.653 4.408 ( -7.850 0.658 2.384) 8.231 4.686 ( -36.229 -14.026 0.501) 38.853 5.472 ( -19.872 -9.163 -0.925) 21.902 7.157 ( 6.366 2.378 1.615) 6.985 9.230 ( -16.906 -4.499 -1.563) 17.564 9.687 ( 1.760 1.140 -2.607) 3.346 11.561 ( 0.426 2.066 0.652) 2.208 12.759 ( 2.729 -0.830 12.272) 12.599 13.792 ( 22.363 6.611 -13.925) 27.160 16.307 ( 6.451 2.704 8.944) 11.354 ======================= Grid point 34 (25/580) ======================= q-point: (-0.17 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -22.255 -9.917 -5.226) 24.918 2.247 ( -28.836 -3.546 -3.390) 29.250 3.851 ( -44.951 -14.293 1.215) 47.184 4.302 ( -7.085 0.409 1.374) 7.228 5.046 ( -20.134 -7.548 -1.195) 21.536 7.266 ( 3.948 1.186 0.806) 4.200 8.900 ( -16.220 -3.817 -1.206) 16.707 9.823 ( 12.159 3.587 -2.317) 12.887 11.611 ( 3.001 1.407 0.664) 3.381 12.751 ( -5.406 -2.745 8.737) 10.634 14.185 ( 21.304 5.385 -7.420) 23.193 16.476 ( 6.513 2.849 6.411) 9.572 ======================= Grid point 35 (26/580) ======================= q-point: (-0.11 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -24.899 -7.015 -4.052) 26.184 1.689 ( -31.401 -3.675 -2.823) 31.741 2.911 ( -51.605 -10.409 0.705) 52.650 4.200 ( -5.563 -0.052 0.935) 5.642 4.652 ( -18.729 -4.471 -0.744) 19.270 7.323 ( 1.976 0.330 -0.029) 2.003 8.616 ( -13.159 -2.288 -0.733) 13.377 10.128 ( 19.588 3.795 -1.378) 20.000 11.687 ( 4.359 0.471 0.477) 4.410 12.599 ( -12.231 -2.267 6.200) 13.899 14.552 ( 18.670 3.266 -2.662) 19.139 16.608 ( 4.523 1.326 3.292) 5.750 ======================= Grid point 36 (27/580) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -26.149 -0.000 0.000) 26.149 1.116 ( -32.848 -0.000 0.000) 32.848 1.942 ( -55.888 -0.000 0.000) 55.888 4.122 ( -3.745 -0.000 0.000) 3.745 4.340 ( -14.819 -0.000 0.000) 14.819 7.346 ( 0.844 0.000 -0.000) 0.844 8.415 ( -8.974 -0.000 0.000) 8.974 10.516 ( 23.253 0.000 -0.000) 23.253 11.763 ( 4.113 0.000 -0.000) 4.113 12.346 ( -17.338 -0.000 0.000) 17.338 14.845 ( 14.073 0.000 -0.000) 14.073 16.678 ( 2.434 0.000 -0.000) 2.434 ======================= Grid point 39 (28/580) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -0.000 23.077 12.930) 26.452 1.234 ( 0.000 30.002 1.137) 30.024 2.309 ( 0.000 54.255 6.866) 54.688 4.148 ( 0.000 4.166 0.263) 4.175 4.410 ( 0.000 16.707 -1.273) 16.755 7.348 ( -0.000 -2.129 1.180) 2.434 8.452 ( 0.000 9.911 -0.531) 9.925 10.340 ( -0.000 -20.206 -4.770) 20.761 11.756 ( -0.000 -4.053 0.257) 4.062 12.330 ( 0.000 19.129 -17.786) 26.120 14.784 ( -0.000 -15.707 3.478) 16.088 16.558 ( 0.000 2.404 -13.786) 13.994 ======================= Grid point 40 (29/580) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 7.755 20.929 11.381) 25.054 1.674 ( 15.335 27.016 1.497) 31.101 2.968 ( 14.083 49.198 4.369) 51.360 4.207 ( 1.595 5.549 -0.227) 5.778 4.640 ( 6.739 18.293 -0.342) 19.497 7.322 ( -0.849 -2.378 -0.079) 2.526 8.609 ( 5.670 12.244 0.102) 13.494 10.102 ( -3.983 -18.596 -0.972) 19.043 11.690 ( -2.474 -3.801 -0.211) 4.540 12.457 ( 2.297 14.149 -18.655) 23.526 14.593 ( -4.688 -17.843 6.153) 19.448 16.525 ( -1.109 -0.529 -10.518) 10.590 ======================= Grid point 41 (30/580) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 12.652 17.108 9.379) 23.253 2.222 ( 17.933 24.660 1.649) 30.536 3.721 ( 21.075 39.997 0.744) 45.216 4.311 ( 3.093 8.095 -0.427) 8.676 4.974 ( 11.336 17.725 1.138) 21.071 7.267 ( -2.296 -3.196 -1.181) 4.109 8.873 ( 9.437 14.497 1.241) 17.343 9.865 ( -5.017 -12.909 1.318) 13.912 11.619 ( -1.770 -2.283 -0.790) 2.995 12.536 ( 2.252 6.410 -19.134) 20.305 14.335 ( -7.740 -18.716 10.566) 22.844 16.422 ( -5.101 -2.750 -9.917) 11.486 ======================= Grid point 42 (31/580) ======================= q-point: ( 0.28 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 14.198 12.884 7.060) 20.431 2.749 ( 15.678 23.308 1.260) 28.119 4.343 ( 11.089 16.429 -5.219) 20.496 4.550 ( 15.405 23.634 2.408) 28.314 5.360 ( 13.833 16.013 2.313) 21.286 7.171 ( -4.149 -4.302 -1.697) 6.213 9.202 ( 10.785 15.448 2.658) 19.027 9.722 ( -1.558 -4.455 1.701) 5.017 11.587 ( -0.783 0.815 -1.086) 1.568 12.511 ( -0.281 -2.027 -19.995) 20.100 14.048 ( -9.571 -18.937 15.584) 26.326 16.245 ( -7.446 -3.374 -10.696) 13.462 ======================= Grid point 43 (32/580) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 13.405 8.476 4.782) 16.565 3.203 ( 11.228 22.126 0.497) 24.817 4.533 ( 3.213 10.702 -3.696) 11.770 5.129 ( 20.878 20.881 -1.117) 29.550 5.753 ( 14.097 13.567 2.441) 19.717 7.037 ( -5.572 -4.932 -1.003) 7.509 9.521 ( 9.152 10.827 4.513) 14.878 9.769 ( 5.319 8.285 0.114) 9.846 11.600 ( -0.657 4.620 -1.165) 4.810 12.352 ( -4.044 -8.184 -20.700) 22.623 13.738 ( -12.436 -19.298 18.208) 29.301 16.066 ( -4.950 -3.019 -10.021) 11.578 ======================= Grid point 44 (33/580) ======================= q-point: ( 0.39 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 11.174 4.337 2.570) 12.259 3.556 ( 5.715 20.698 -0.171) 21.473 4.668 ( 1.252 11.641 -2.863) 12.053 5.613 ( 17.796 12.707 -2.917) 22.061 6.099 ( 12.115 9.853 1.298) 15.670 6.892 ( -5.773 -4.605 1.210) 7.483 9.775 ( 10.663 7.605 3.807) 13.639 10.022 ( 7.495 16.989 -0.209) 18.570 11.622 ( -2.923 4.683 -1.867) 5.827 12.117 ( -4.659 -7.604 -18.885) 20.885 13.357 ( -17.673 -18.964 16.376) 30.662 15.974 ( 1.326 -3.395 -6.752) 7.672 ======================= Grid point 45 (34/580) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 8.254 0.862 0.423) 8.310 3.798 ( 0.194 19.020 -0.348) 19.024 4.780 ( -0.997 12.294 -1.935) 12.485 5.960 ( 13.618 6.998 -5.244) 16.184 6.351 ( 8.519 5.101 0.120) 9.930 6.772 ( -4.502 -3.791 4.830) 7.613 10.077 ( 12.971 10.200 2.615) 16.707 10.304 ( 5.797 17.495 -0.745) 18.446 11.521 ( -6.451 -5.931 -6.397) 10.850 11.990 ( -1.903 3.168 -11.065) 11.666 12.900 ( -21.280 -15.256 12.518) 29.022 15.986 ( 6.412 -5.427 -3.095) 8.953 ======================= Grid point 46 (35/580) ======================= q-point: ( 0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 5.129 -1.794 -1.527) 5.644 3.936 ( -4.575 17.248 0.004) 17.844 4.857 ( -3.590 12.340 -0.944) 12.886 6.176 ( 8.903 3.150 -8.964) 13.021 6.482 ( 3.417 1.034 -0.023) 3.570 6.708 ( -1.548 -3.538 9.237) 10.012 10.377 ( 3.940 15.746 2.670) 16.450 10.561 ( 8.571 11.862 -2.696) 14.881 11.329 ( -1.294 -10.890 -6.861) 12.936 11.948 ( -5.681 2.102 -4.184) 7.362 12.496 ( -17.086 -3.204 7.721) 19.022 16.038 ( 7.760 -8.176 -0.958) 11.313 ======================= Grid point 47 (36/580) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 1.938 -3.751 -3.045) 5.205 3.983 ( -8.693 15.350 0.458) 17.647 4.891 ( -6.158 11.659 0.026) 13.185 6.256 ( 3.083 -1.208 -11.443) 11.912 6.508 ( 0.376 0.017 1.316) 1.369 6.699 ( -0.112 -4.201 11.063) 11.835 10.476 ( -11.096 15.475 0.039) 19.042 10.731 ( 1.210 0.909 -1.834) 2.378 11.288 ( 9.228 -7.248 -2.154) 11.930 11.853 ( -0.256 0.076 0.029) 0.268 12.343 ( -8.788 9.779 1.792) 13.269 16.068 ( 6.432 -10.184 0.062) 12.045 ======================= Grid point 48 (37/580) ======================= q-point: (-0.39 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( -1.548 -5.270 -3.983) 6.785 3.943 ( -12.766 13.025 0.500) 18.245 4.877 ( -8.327 10.290 0.958) 13.272 6.170 ( -4.273 -6.383 -9.168) 11.960 6.528 ( -0.278 -0.314 2.264) 2.302 6.680 ( -0.516 -3.288 8.380) 9.017 10.325 ( -16.030 3.002 -2.295) 16.469 10.593 ( -14.482 -0.311 0.290) 14.488 11.436 ( 10.866 -0.329 3.067) 11.296 12.019 ( 12.772 4.613 1.780) 13.695 12.360 ( -0.004 11.766 -4.189) 12.489 16.061 ( 4.660 -10.153 1.253) 11.242 ======================= Grid point 49 (38/580) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( -5.648 -6.445 -4.365) 9.618 3.804 ( -17.212 9.958 -0.017) 19.885 4.818 ( -9.878 8.386 1.751) 13.076 5.945 ( -10.233 -8.903 -6.346) 14.975 6.416 ( -10.800 -5.869 5.613) 13.513 6.743 ( 6.059 1.703 2.366) 6.724 10.022 ( -16.098 -5.020 -2.460) 17.041 10.321 ( -18.555 2.722 0.583) 18.763 11.604 ( 3.331 4.967 1.851) 6.260 12.247 ( 7.809 2.828 13.785) 16.093 12.607 ( 19.382 9.276 -16.015) 26.799 16.054 ( 4.344 -7.393 3.343) 9.204 ======================= Grid point 50 (39/580) ======================= q-point: (-0.28 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -10.424 -7.042 -4.285) 13.290 3.552 ( -21.868 6.297 -0.775) 22.770 4.721 ( -10.690 6.111 2.189) 12.507 5.606 ( -17.533 -9.505 -3.646) 20.274 6.121 ( -17.541 -7.273 3.469) 19.304 6.896 ( 8.226 2.351 1.501) 8.686 9.711 ( -13.138 -5.098 -2.284) 14.276 10.027 ( -18.852 2.032 0.089) 18.962 11.642 ( -3.969 5.190 0.082) 6.534 12.485 ( 11.026 1.361 16.129) 19.585 12.995 ( 23.873 5.347 -17.989) 30.367 16.104 ( 5.908 -2.881 5.475) 8.555 ======================= Grid point 51 (40/580) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -15.546 -6.582 -3.726) 17.288 3.186 ( -26.126 2.785 -1.302) 26.306 4.595 ( -10.672 3.665 2.177) 11.491 5.127 ( -28.052 -8.650 -1.314) 29.384 5.733 ( -20.338 -6.589 0.715) 21.391 7.061 ( 7.969 1.751 1.185) 8.245 9.456 ( -13.074 -2.827 -1.711) 13.486 9.762 ( -11.849 0.796 -0.593) 11.891 11.612 ( -3.539 3.130 0.021) 4.724 12.701 ( 7.606 -0.585 10.650) 13.100 13.395 ( 24.756 3.474 -12.503) 27.951 16.231 ( 7.717 0.634 5.693) 9.611 ======================= Grid point 52 (41/580) ======================= q-point: (-0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -20.313 -4.454 -2.447) 20.939 2.725 ( -29.417 0.352 -1.192) 29.444 4.443 ( -17.145 -0.111 4.296) 17.676 4.491 ( -31.726 -4.341 -3.087) 32.170 5.332 ( -20.704 -3.983 -0.377) 21.087 7.195 ( 5.958 0.768 0.585) 6.035 9.166 ( -17.765 -1.354 -0.701) 17.831 9.697 ( 3.342 0.801 -0.902) 3.553 11.600 ( -0.275 1.155 0.150) 1.197 12.790 ( 1.056 -1.192 4.495) 4.769 13.811 ( 24.414 2.172 -5.073) 25.030 16.393 ( 7.883 1.324 3.409) 8.690 ======================= Grid point 53 (42/580) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -23.797 -0.000 0.000) 23.797 2.206 ( -31.407 -0.000 0.000) 31.407 3.709 ( -47.475 -0.000 0.000) 47.475 4.316 ( -7.783 -0.000 0.000) 7.783 4.963 ( -20.456 -0.000 0.000) 20.456 7.280 ( 3.576 0.000 -0.000) 3.576 8.860 ( -16.825 -0.000 0.000) 16.825 9.853 ( 13.800 0.000 -0.000) 13.800 11.627 ( 2.758 0.000 -0.000) 2.758 12.751 ( -5.712 -0.000 0.000) 5.712 14.213 ( 22.402 0.000 -0.000) 22.402 16.529 ( 6.419 0.000 -0.000) 6.419 ======================= Grid point 58 (43/580) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -0.000 21.641 9.531) 23.647 1.806 ( 0.000 27.841 0.840) 27.854 3.360 ( 0.000 49.155 3.696) 49.294 4.244 ( 0.000 5.393 0.201) 5.397 4.782 ( 0.000 21.773 -0.166) 21.773 7.304 ( -0.000 -2.728 -0.464) 2.767 8.688 ( 0.000 14.389 -0.162) 14.390 9.950 ( -0.000 -17.047 -0.612) 17.058 11.671 ( -0.000 -4.586 0.051) 4.587 12.504 ( 0.000 11.043 -19.832) 22.699 14.467 ( -0.000 -20.098 7.491) 21.449 16.499 ( 0.000 -0.436 -9.268) 9.278 ======================= Grid point 59 (44/580) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 4.832 19.195 8.098) 21.386 2.196 ( 13.097 25.523 0.472) 28.691 3.894 ( 7.856 42.730 0.413) 43.448 4.327 ( 3.235 6.777 0.229) 7.513 5.044 ( 4.492 22.877 1.432) 23.358 7.262 ( -1.272 -3.443 -0.990) 3.802 8.891 ( 6.089 16.203 0.672) 17.322 9.790 ( -1.274 -12.569 0.771) 12.657 11.614 ( -1.202 -3.523 -0.542) 3.762 12.515 ( -0.195 5.068 -20.883) 21.490 14.266 ( -3.277 -21.000 10.509) 23.710 16.437 ( -2.891 -1.738 -8.482) 9.128 ======================= Grid point 60 (45/580) ======================= q-point: ( 0.28 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 8.595 15.024 6.544) 18.505 2.698 ( 16.952 23.323 -0.009) 28.832 4.359 ( 6.192 20.526 -5.160) 22.052 4.555 ( 11.617 21.117 2.030) 24.187 5.375 ( 7.306 22.322 3.223) 23.707 7.184 ( -2.965 -4.372 -1.227) 5.423 9.198 ( 9.524 17.032 2.563) 19.682 9.691 ( 0.122 -4.951 1.063) 5.065 11.580 ( 0.655 -0.972 -1.467) 1.877 12.444 ( -1.861 -1.913 -21.351) 21.518 14.027 ( -5.483 -21.198 14.173) 26.082 16.304 ( -6.668 -2.724 -8.744) 11.329 ======================= Grid point 61 (46/580) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 9.952 10.322 4.495) 15.026 3.196 ( 15.387 22.081 -0.420) 26.917 4.564 ( 4.458 12.181 -4.851) 13.848 5.024 ( 15.726 20.501 -0.815) 25.851 5.731 ( 8.389 20.059 3.785) 22.069 7.072 ( -4.473 -4.826 -0.576) 6.605 9.504 ( 6.914 10.288 5.235) 13.456 9.757 ( 6.810 10.079 -0.597) 12.178 11.616 ( 3.049 3.061 -2.126) 4.815 12.269 ( -4.388 -7.940 -21.418) 23.260 13.763 ( -7.532 -21.457 16.726) 28.229 16.117 ( -7.982 -3.031 -8.667) 12.166 ======================= Grid point 62 (47/580) ======================= q-point: ( 0.39 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 9.485 5.742 2.259) 11.315 3.630 ( 10.682 21.569 -0.701) 24.079 4.736 ( 3.461 12.766 -4.750) 14.054 5.446 ( 15.725 12.371 -1.708) 20.080 6.054 ( 7.552 15.153 2.586) 17.127 6.944 ( -5.137 -4.329 1.250) 6.833 9.700 ( 7.536 6.801 3.171) 10.635 10.064 ( 9.173 19.067 0.975) 21.181 11.710 ( 0.864 7.504 -2.369) 7.917 12.022 ( -3.698 -10.500 -20.400) 23.240 13.455 ( -11.057 -21.446 16.356) 29.150 15.943 ( -4.803 -3.770 -6.857) 9.182 ======================= Grid point 63 (48/580) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 7.932 1.804 0.096) 8.135 3.965 ( 4.341 21.305 -0.609) 21.752 4.894 ( 1.722 13.432 -4.102) 14.150 5.783 ( 13.855 6.859 -2.885) 15.727 6.287 ( 5.810 8.142 1.121) 10.065 6.830 ( -4.826 -3.358 3.939) 7.077 9.949 ( 12.133 9.169 0.329) 15.211 10.392 ( 6.768 18.711 2.282) 20.028 11.603 ( -11.470 -4.548 -10.786) 16.388 11.971 ( 5.136 5.289 -9.134) 11.738 13.084 ( -14.926 -18.887 13.357) 27.530 15.846 ( 1.076 -6.207 -3.825) 7.369 ======================= Grid point 64 (49/580) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 5.830 -1.154 -1.732) 6.191 4.187 ( -2.124 20.732 -0.068) 20.840 5.024 ( -0.819 13.719 -2.782) 14.022 6.023 ( 9.986 3.772 -6.390) 12.441 6.423 ( 4.489 1.572 1.395) 4.957 6.745 ( -3.626 -3.214 6.905) 8.436 10.278 ( 15.324 10.251 -2.462) 18.601 10.670 ( 4.048 17.440 3.509) 18.244 11.310 ( -10.558 -7.569 -10.040) 16.419 12.054 ( -2.745 6.761 -4.188) 8.413 12.723 ( -13.390 -9.546 8.549) 18.534 15.821 ( 5.838 -9.748 -1.416) 11.451 ======================= Grid point 65 (50/580) ======================= q-point: ( 0.56 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 3.395 -3.056 -2.993) 5.461 4.300 ( -7.690 19.331 0.605) 20.813 5.110 ( -4.189 13.623 -1.032) 14.290 6.141 ( 4.817 0.260 -10.947) 11.963 6.488 ( 2.547 -1.138 2.189) 3.546 6.696 ( -1.010 -4.433 10.004) 10.989 10.611 ( 12.958 8.141 -4.839) 16.050 10.842 ( -9.514 14.791 1.260) 17.632 11.102 ( 3.208 -6.872 -2.061) 7.859 11.950 ( -10.055 1.008 0.096) 10.106 12.559 ( -6.790 4.796 1.959) 8.541 15.829 ( 7.871 -12.417 -0.237) 14.704 ======================= Grid point 66 (51/580) ======================= q-point: (-0.39 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 0.526 -4.073 -3.585) 5.451 4.309 ( -12.442 16.698 0.887) 20.842 5.138 ( -7.836 12.933 0.808) 15.143 6.111 ( -0.550 -5.483 -11.648) 12.886 6.521 ( 1.611 0.135 1.469) 2.184 6.680 ( -0.093 -5.141 10.599) 11.780 10.619 ( -18.199 -0.685 -3.223) 18.495 10.760 ( -1.242 2.370 -3.473) 4.384 11.297 ( 11.405 7.962 8.091) 16.092 11.896 ( 3.186 5.516 -2.790) 6.954 12.517 ( -6.345 6.495 -0.746) 9.111 15.841 ( 8.095 -12.462 0.510) 14.869 ======================= Grid point 67 (52/580) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -3.006 -4.406 -3.541) 6.402 4.208 ( -16.884 12.644 0.565) 21.101 5.102 ( -10.989 11.246 2.193) 15.876 5.956 ( -4.780 -8.903 -9.066) 13.576 6.518 ( -3.997 -2.718 3.643) 6.052 6.683 ( 2.785 -1.171 5.211) 6.023 10.263 ( -18.891 -4.422 -2.131) 19.519 10.632 ( -13.147 1.261 -0.430) 13.214 11.605 ( 8.008 13.119 7.718) 17.199 12.110 ( 14.182 4.678 -2.043) 15.073 12.472 ( -1.141 2.087 -4.818) 5.374 15.873 ( 8.147 -9.348 1.593) 12.502 ======================= Grid point 68 (53/580) ======================= q-point: (-0.28 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -7.269 -4.051 -2.932) 8.823 3.987 ( -21.132 7.670 -0.021) 22.481 5.001 ( -12.960 8.096 2.476) 15.480 5.727 ( -9.272 -8.347 -5.750) 13.737 6.343 ( -13.260 -4.408 3.851) 14.495 6.786 ( 7.098 1.137 1.518) 7.347 9.910 ( -16.682 -4.033 -1.395) 17.220 10.376 ( -18.371 1.670 0.239) 18.448 11.794 ( -3.908 11.571 1.896) 12.359 12.361 ( 10.489 -1.250 15.408) 18.681 12.591 ( 19.215 1.446 -18.254) 26.543 15.955 ( 8.847 -4.533 2.625) 10.282 ======================= Grid point 69 (54/580) ======================= q-point: (-0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -12.005 -2.731 -1.779) 12.440 3.647 ( -24.898 3.029 -0.330) 25.084 4.843 ( -13.229 3.804 1.562) 13.853 5.433 ( -16.777 -4.854 -2.319) 17.618 6.032 ( -19.535 -3.092 1.490) 19.834 6.935 ( 8.528 0.841 0.626) 8.592 9.629 ( -12.514 -1.947 -0.870) 12.694 10.060 ( -19.874 0.918 0.098) 19.895 11.747 ( -8.326 3.971 -0.102) 9.225 12.574 ( 10.261 -0.830 8.659) 13.452 12.951 ( 25.722 1.141 -9.596) 27.477 16.096 ( 9.562 -0.845 2.299) 9.871 ======================= Grid point 70 (55/580) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -16.631 -0.000 0.000) 16.631 3.213 ( -27.809 -0.000 0.000) 27.809 4.649 ( -11.891 -0.000 0.000) 11.891 5.028 ( -28.393 -0.000 0.000) 28.393 5.667 ( -21.226 -0.000 0.000) 21.226 7.082 ( 7.934 0.000 -0.000) 7.934 9.422 ( -12.441 -0.000 0.000) 12.441 9.771 ( -12.502 -0.000 0.000) 12.502 11.648 ( -4.749 -0.000 0.000) 4.749 12.727 ( 6.482 0.000 -0.000) 6.482 13.383 ( 26.033 0.000 -0.000) 26.033 16.259 ( 9.232 0.000 -0.000) 9.232 ======================= Grid point 77 (56/580) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -0.000 18.378 5.573) 19.204 2.326 ( 0.000 24.834 0.729) 24.844 4.238 ( 0.000 39.171 -1.898) 39.217 4.355 ( 0.000 5.806 -0.005) 5.806 5.259 ( 0.000 26.293 3.067) 26.472 7.234 ( -0.000 -3.918 -0.889) 4.018 9.003 ( 0.000 17.433 0.613) 17.443 9.695 ( -0.000 -8.871 1.476) 8.993 11.586 ( -0.000 -3.767 -0.445) 3.793 12.474 ( 0.000 0.573 -22.849) 22.856 14.120 ( -0.000 -21.825 11.926) 24.871 16.422 ( 0.000 -1.467 -7.290) 7.436 ======================= Grid point 78 (57/580) ======================= q-point: ( 0.28 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 3.050 15.260 4.202) 16.119 2.669 ( 11.701 22.597 0.157) 25.447 4.432 ( 2.443 8.501 -1.643) 8.996 4.631 ( 6.429 29.047 -3.537) 29.960 5.558 ( 2.252 27.409 4.742) 27.907 7.177 ( -1.628 -4.443 -0.654) 4.777 9.237 ( 6.434 17.929 1.847) 19.138 9.645 ( 0.792 -2.792 1.762) 3.395 11.551 ( 0.158 -2.279 -1.257) 2.608 12.366 ( -1.133 -4.695 -23.296) 23.791 13.929 ( -2.469 -21.988 13.858) 26.108 16.349 ( -4.103 -1.808 -6.920) 8.246 ======================= Grid point 79 (58/580) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 5.681 10.922 2.902) 12.648 3.124 ( 16.518 20.435 -0.505) 26.281 4.580 ( 5.244 9.716 -3.045) 11.453 4.993 ( 9.530 19.869 -4.118) 22.417 5.881 ( 2.862 25.525 4.956) 26.158 7.091 ( -3.218 -4.384 0.156) 5.440 9.525 ( 5.319 11.623 5.113) 13.767 9.730 ( 7.822 10.459 -0.373) 13.066 11.558 ( 3.414 -0.026 -2.779) 4.403 12.188 ( -3.271 -8.446 -22.040) 23.829 13.703 ( -4.541 -22.189 15.234) 27.296 16.203 ( -7.869 -2.180 -6.773) 10.609 ======================= Grid point 80 (59/580) ======================= q-point: ( 0.39 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 6.743 6.449 1.194) 9.407 3.597 ( 16.223 19.236 -0.745) 25.174 4.767 ( 5.558 11.826 -4.708) 13.889 5.313 ( 12.025 11.032 -2.711) 16.543 6.162 ( 1.826 20.045 3.457) 20.423 6.992 ( -4.283 -3.238 1.778) 5.656 9.685 ( 3.895 8.069 2.963) 9.438 10.077 ( 11.935 18.790 1.710) 22.325 11.659 ( 8.722 2.526 -4.785) 10.264 11.950 ( -6.305 -8.784 -19.156) 21.997 13.442 ( -6.902 -22.381 15.176) 27.908 16.010 ( -8.954 -2.839 -5.857) 11.070 ======================= Grid point 81 (60/580) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 6.519 2.556 -0.532) 7.023 4.026 ( 12.231 19.171 -0.522) 22.746 4.954 ( 4.173 13.017 -5.867) 14.876 5.600 ( 13.580 4.940 -1.093) 14.492 6.343 ( -0.038 11.850 1.508) 11.945 6.900 ( -4.886 -1.448 3.738) 6.320 9.874 ( 7.630 10.224 -0.538) 12.769 10.441 ( 8.915 16.353 3.863) 19.021 11.679 ( -7.352 -7.950 -17.029) 20.180 11.872 ( 10.124 8.687 -4.518) 14.085 13.136 ( -9.635 -21.275 13.497) 26.974 15.823 ( -6.392 -4.803 -3.920) 8.905 ======================= Grid point 82 (61/580) ======================= q-point: ( 0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 5.512 -0.321 -1.892) 5.837 4.368 ( 5.512 19.804 0.186) 20.558 5.117 ( 2.740 12.290 -5.715) 13.828 5.857 ( 12.491 2.762 -1.666) 12.901 6.411 ( -0.576 3.307 1.207) 3.567 6.819 ( -5.358 -0.856 5.025) 7.395 10.135 ( 11.737 10.839 -4.507) 16.600 10.717 ( 7.030 9.716 5.889) 13.360 11.426 ( -10.880 -1.851 -11.848) 16.192 12.110 ( 6.062 11.480 -5.282) 14.016 12.818 ( -9.517 -16.231 10.505) 21.549 15.682 ( -1.449 -8.361 -1.816) 8.678 ======================= Grid point 83 (62/580) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 4.021 -2.042 -2.664) 5.238 4.590 ( -2.524 19.799 0.997) 19.984 5.249 ( 1.530 10.794 -3.916) 11.584 6.039 ( 6.190 2.940 -6.244) 9.271 6.423 ( 2.150 -3.335 3.548) 5.323 6.736 ( -4.655 -2.226 5.961) 7.884 10.429 ( 13.688 8.216 -8.202) 17.948 10.930 ( 9.060 2.593 7.840) 12.258 11.191 ( -14.435 3.351 -6.110) 16.029 12.169 ( -9.408 7.386 -1.631) 12.072 12.655 ( -1.229 -1.976 3.625) 4.307 15.599 ( 3.743 -11.794 -0.464) 12.383 ======================= Grid point 84 (63/580) ======================= q-point: (-0.39 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 2.057 -2.725 -2.801) 4.416 4.672 ( -9.741 17.273 1.204) 19.867 5.350 ( -1.404 10.753 -0.533) 10.857 6.046 ( -2.300 -2.053 -10.354) 10.803 6.467 ( 4.940 -3.016 3.683) 6.860 6.673 ( -1.736 -3.743 7.251) 8.343 10.658 ( 9.904 1.217 -7.777) 12.651 10.899 ( -16.421 -0.468 -4.635) 17.069 11.205 ( 12.020 5.628 11.682) 17.681 12.050 ( -10.589 10.316 -1.428) 14.852 12.653 ( -3.544 3.328 -0.681) 4.909 15.578 ( 7.780 -12.337 0.165) 14.586 ======================= Grid point 85 (64/580) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -0.555 -2.578 -2.358) 3.537 4.606 ( -15.239 11.956 0.761) 19.385 5.394 ( -7.510 11.875 3.146) 14.398 5.895 ( -3.704 -8.836 -9.951) 13.813 6.525 ( 2.002 -0.768 1.314) 2.515 6.653 ( 0.751 -3.138 6.213) 7.001 10.553 ( -19.694 -2.555 -2.238) 19.984 10.728 ( 0.073 -1.459 -2.711) 3.080 11.559 ( 16.814 7.263 10.615) 21.169 12.050 ( -1.951 13.591 -5.792) 14.902 12.555 ( -8.207 -2.154 -1.385) 8.597 15.626 ( 10.147 -8.933 0.599) 13.532 ======================= Grid point 86 (65/580) ======================= q-point: (-0.28 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -3.933 -1.698 -1.404) 4.508 4.398 ( -19.455 5.500 0.215) 20.219 5.322 ( -14.296 8.132 3.119) 16.740 5.728 ( -2.634 -7.588 -5.816) 9.917 6.489 ( -5.958 -1.695 1.864) 6.469 6.696 ( 4.631 -0.105 1.610) 4.904 10.186 ( -19.743 -1.933 -0.739) 19.851 10.629 ( -9.965 -0.403 -0.398) 9.981 11.946 ( 10.915 10.964 10.820) 18.879 12.182 ( 7.371 7.709 -8.630) 13.720 12.368 ( -2.755 -9.709 -1.899) 10.270 15.748 ( 11.043 -3.758 0.794) 11.692 ======================= Grid point 87 (66/580) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -7.915 -0.000 0.000) 7.915 4.067 ( -22.637 -0.000 0.000) 22.637 5.109 ( -15.127 -0.000 0.000) 15.127 5.604 ( -7.636 -0.000 0.000) 7.636 6.311 ( -14.092 -0.000 0.000) 14.092 6.803 ( 7.394 0.000 -0.000) 7.394 9.864 ( -16.736 -0.000 0.000) 16.736 10.391 ( -17.563 -0.000 0.000) 17.563 11.954 ( -12.402 -0.000 0.000) 12.402 12.408 ( 10.136 0.000 -0.000) 10.136 12.501 ( 25.130 0.000 -0.000) 25.130 15.919 ( 10.819 0.000 -0.000) 10.819 ======================= Grid point 96 (67/580) ======================= q-point: ( 0.28 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 0.000 13.301 1.521) 13.387 2.780 ( 0.000 21.046 0.807) 21.061 4.465 ( 0.000 5.438 -0.264) 5.444 4.840 ( 0.000 26.009 -7.038) 26.944 5.837 ( 0.000 28.737 5.546) 29.268 7.147 ( -0.000 -4.282 0.074) 4.283 9.360 ( 0.000 17.947 1.520) 18.011 9.637 ( -0.000 1.490 2.786) 3.159 11.525 ( 0.000 -1.779 -1.127) 2.106 12.228 ( 0.000 -8.736 -24.266) 25.790 13.781 ( -0.000 -22.102 13.993) 26.159 16.350 ( 0.000 -1.253 -5.822) 5.955 ======================= Grid point 97 (68/580) ======================= q-point: ( 0.33 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 1.997 9.903 0.281) 10.106 3.074 ( 10.805 18.674 0.311) 21.577 4.558 ( 4.791 5.918 -0.869) 7.664 5.065 ( 3.001 19.331 -7.392) 20.912 6.131 ( 0.348 26.161 4.914) 26.620 7.097 ( -1.699 -3.265 1.174) 3.863 9.587 ( 4.351 14.759 3.806) 15.851 9.715 ( 4.626 9.282 1.189) 10.439 11.510 ( 0.498 -0.725 -2.270) 2.434 12.046 ( -0.189 -11.054 -22.678) 25.229 13.593 ( -2.241 -22.163 13.910) 26.263 16.278 ( -4.923 -1.137 -5.255) 7.290 ======================= Grid point 98 (69/580) ======================= q-point: ( 0.39 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 3.806 6.084 -0.612) 7.203 3.483 ( 16.528 16.452 -0.243) 23.322 4.732 ( 8.303 7.737 -2.191) 11.559 5.265 ( 5.189 12.067 -5.753) 14.339 6.369 ( -0.873 19.831 3.056) 20.084 7.041 ( -3.124 -0.716 2.787) 4.247 9.746 ( 1.063 10.552 3.453) 11.153 10.036 ( 13.897 16.961 1.339) 21.968 11.518 ( 3.950 -2.589 -6.007) 7.641 11.873 ( -0.546 -7.701 -17.279) 18.925 13.367 ( -4.394 -22.047 13.233) 26.086 16.129 ( -9.011 -1.425 -4.557) 10.198 ======================= Grid point 99 (70/580) ======================= q-point: ( 0.44 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 4.659 2.705 -1.516) 5.596 3.930 ( 17.786 15.073 -0.299) 23.316 4.956 ( 8.164 10.639 -4.408) 14.116 5.444 ( 8.439 4.740 -2.485) 9.993 6.495 ( -2.994 11.047 1.133) 11.502 6.999 ( -4.631 2.670 4.201) 6.798 9.892 ( 2.870 11.945 -0.105) 12.286 10.431 ( 11.777 14.274 3.487) 18.831 11.534 ( 6.454 -7.083 -13.708) 16.725 11.815 ( 3.256 3.098 -6.695) 8.063 13.106 ( -6.546 -20.981 11.837) 24.964 15.927 ( -10.744 -2.525 -3.350) 11.534 ======================= Grid point 100 (71/580) ======================= q-point: ( 0.50 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 4.647 0.258 -2.124) 5.115 4.359 ( 15.406 14.742 0.242) 21.324 5.157 ( 4.047 11.959 -6.729) 14.306 5.643 ( 13.181 -0.064 0.695) 13.200 6.502 ( -4.561 3.711 0.686) 5.920 6.950 ( -6.849 3.407 4.218) 8.735 10.076 ( 6.110 11.621 -4.619) 13.918 10.690 ( 6.328 4.672 5.209) 9.434 11.503 ( -1.553 1.687 -11.333) 11.562 12.009 ( 14.076 7.313 -4.442) 16.473 12.828 ( -7.787 -17.691 10.020) 21.772 15.707 ( -9.528 -4.895 -1.874) 10.875 ======================= Grid point 101 (72/580) ======================= q-point: ( 0.56 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 4.044 -1.109 -2.251) 4.760 4.724 ( 9.322 15.581 1.512) 18.220 5.274 ( 1.676 7.660 -6.829) 10.398 5.887 ( 14.027 1.341 0.185) 14.092 6.432 ( -5.048 -1.613 1.626) 5.543 6.856 ( -8.280 1.145 3.545) 9.079 10.283 ( 9.147 8.111 -8.393) 14.830 10.822 ( 6.927 -1.013 6.333) 9.440 11.423 ( -9.651 5.361 -4.540) 11.938 12.302 ( 7.379 11.227 -5.724) 14.604 12.611 ( -1.999 -10.989 7.949) 13.709 15.510 ( -5.414 -7.856 -0.673) 9.565 ======================= Grid point 102 (73/580) ======================= q-point: ( 0.61 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 2.969 -1.493 -1.897) 3.827 4.954 ( -2.460 15.759 2.371) 16.125 5.351 ( 5.731 1.804 -4.606) 7.571 6.083 ( 1.679 6.269 -5.450) 8.475 6.343 ( 1.714 -7.735 5.098) 9.421 6.736 ( -6.554 -0.990 3.161) 7.343 10.469 ( 9.972 1.996 -7.527) 12.653 10.989 ( 9.180 3.078 2.398) 9.975 11.239 ( -13.197 -0.700 2.788) 13.506 12.326 ( -9.173 8.635 -0.773) 12.621 12.664 ( 5.574 0.638 0.331) 5.620 15.387 ( 1.207 -8.823 -0.030) 8.905 ======================= Grid point 103 (74/580) ======================= q-point: (-0.33 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 1.348 -1.077 -1.126) 2.061 4.944 ( -12.366 8.238 0.834) 14.882 5.489 ( 7.625 3.200 0.200) 8.272 5.954 ( -13.629 -1.039 -5.156) 14.608 6.430 ( 8.534 -2.259 2.225) 9.104 6.656 ( -2.527 -1.283 2.465) 3.756 10.606 ( 7.337 -1.050 -3.089) 8.030 10.893 ( -19.087 1.080 -1.966) 19.218 11.314 ( 17.220 0.226 5.486) 18.074 12.268 ( -7.484 9.241 -0.650) 11.909 12.664 ( -5.860 -1.101 -0.907) 6.031 15.394 ( 7.939 -5.464 0.159) 9.639 ======================= Grid point 104 (75/580) ======================= q-point: (-0.28 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( -0.955 -0.000 0.000) 0.955 4.735 ( -16.662 -0.000 0.000) 16.662 5.636 ( 5.123 0.000 -0.000) 5.123 5.656 ( -16.923 -0.000 0.000) 16.923 6.518 ( 1.938 0.000 -0.000) 1.938 6.645 ( 1.415 0.000 -0.000) 1.415 10.518 ( -19.513 -0.000 0.000) 19.513 10.703 ( -0.435 -0.000 0.000) 0.435 11.660 ( 21.477 0.000 -0.000) 21.477 12.239 ( -1.969 -0.000 0.000) 1.969 12.471 ( -13.505 -0.000 0.000) 13.505 15.536 ( 11.256 0.000 -0.000) 11.256 ======================= Grid point 115 (76/580) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 0.000 7.502 -1.871) 7.732 3.154 ( 0.000 16.542 0.907) 16.567 4.560 ( 0.000 4.464 -0.443) 4.486 5.191 ( 0.000 16.078 -8.034) 17.973 6.385 ( 0.000 22.270 3.598) 22.559 7.096 ( -0.000 -0.720 2.508) 2.610 9.703 ( 0.000 15.434 2.163) 15.584 9.779 ( -0.000 10.453 3.178) 10.925 11.505 ( 0.000 0.717 -1.701) 1.846 11.842 ( 0.000 -13.659 -22.147) 26.021 13.442 ( -0.000 -21.936 12.601) 25.298 16.298 ( 0.000 -0.478 -4.300) 4.327 ======================= Grid point 116 (77/580) ======================= q-point: ( 0.39 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 1.494 4.664 -2.562) 5.527 3.397 ( 10.314 13.983 0.543) 17.384 4.654 ( 6.294 4.459 -0.736) 7.749 5.312 ( 1.170 11.619 -7.022) 13.626 6.568 ( -1.115 14.486 1.605) 14.617 7.107 ( -1.650 3.810 3.943) 5.725 9.867 ( 0.286 12.877 4.038) 13.499 9.979 ( 9.688 14.289 0.925) 17.289 11.459 ( -3.398 -4.213 -6.666) 8.587 11.700 ( 5.220 -7.821 -14.755) 17.497 13.252 ( -2.157 -21.252 11.157) 24.100 16.234 ( -5.530 -0.321 -3.539) 6.574 ======================= Grid point 117 (78/580) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 2.861 2.158 -2.604) 4.430 3.757 ( 16.847 11.594 0.146) 20.451 4.850 ( 11.349 5.593 -1.526) 12.744 5.407 ( 1.911 6.632 -4.839) 8.429 6.636 ( -2.928 6.408 0.387) 7.056 7.136 ( -3.690 7.384 4.361) 9.336 10.002 ( -0.469 13.521 1.524) 13.615 10.340 ( 14.876 12.348 1.637) 19.402 11.327 ( 2.375 -9.255 -10.616) 14.283 11.735 ( 5.590 0.701 -6.791) 8.824 13.034 ( -4.110 -19.438 9.410) 21.984 16.085 ( -10.187 -0.722 -2.629) 10.546 ======================= Grid point 118 (79/580) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 3.615 0.413 -2.337) 4.324 4.173 ( 19.471 9.670 0.129) 21.740 5.117 ( 12.097 8.473 -3.553) 15.191 5.480 ( 4.407 0.571 -1.237) 4.612 6.611 ( -4.563 1.949 0.349) 4.974 7.133 ( -6.800 6.590 3.507) 10.098 10.126 ( 0.418 12.265 -3.024) 12.639 10.628 ( 7.307 2.745 3.170) 8.425 11.386 ( 13.432 1.748 -8.716) 16.108 11.834 ( 7.599 0.664 -3.038) 8.210 12.809 ( -5.420 -15.351 7.256) 17.824 15.867 ( -12.906 -1.804 -1.587) 13.128 ======================= Grid point 119 (80/580) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 3.749 -0.462 -1.772) 4.172 4.589 ( 19.004 8.119 0.594) 20.674 5.323 ( 1.264 9.346 -6.297) 11.340 5.619 ( 15.447 -3.234 2.639) 16.001 6.530 ( -6.160 -0.210 0.614) 6.194 7.049 ( -10.005 3.467 2.297) 10.835 10.233 ( 2.745 7.630 -6.362) 10.307 10.722 ( 5.252 -2.379 4.535) 7.336 11.577 ( -1.008 8.998 -4.559) 10.137 12.055 ( 21.645 -1.138 -1.734) 21.744 12.621 ( -5.249 -7.888 4.786) 10.615 15.617 ( -12.859 -3.221 -0.684) 13.274 ======================= Grid point 120 (81/580) ======================= q-point: ( 0.61 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 3.404 -0.554 -0.973) 3.584 4.967 ( 16.298 7.010 1.683) 17.821 5.318 ( -4.429 1.372 -4.103) 6.191 5.916 ( 18.169 0.960 0.539) 18.202 6.400 ( -8.759 -1.694 0.819) 8.959 6.893 ( -10.822 0.684 1.208) 10.910 10.332 ( 5.914 2.068 -4.479) 7.701 10.844 ( 9.322 0.141 2.932) 9.773 11.484 ( -13.064 1.764 -0.552) 13.194 12.429 ( 17.197 4.072 -4.207) 18.166 12.516 ( -2.349 -2.794 4.600) 5.872 15.392 ( -8.725 -3.368 -0.142) 9.353 ======================= Grid point 121 (82/580) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 2.632 0.000 -0.000) 2.632 5.180 ( -9.688 -0.000 0.000) 9.688 5.290 ( 14.917 0.000 -0.000) 14.917 6.198 ( -13.642 -0.000 0.000) 13.642 6.214 ( 15.144 0.000 -0.000) 15.144 6.738 ( -7.385 -0.000 0.000) 7.385 10.455 ( 8.433 0.000 -0.000) 8.433 11.052 ( 13.992 0.000 -0.000) 13.992 11.219 ( -17.998 -0.000 0.000) 17.998 12.425 ( -6.126 -0.000 0.000) 6.126 12.669 ( 6.069 0.000 -0.000) 6.069 15.294 ( -0.014 -0.000 0.000) 0.014 ======================= Grid point 134 (83/580) ======================= q-point: ( 0.39 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 0.000 2.788 -3.519) 4.489 3.433 ( 0.000 11.413 0.832) 11.444 4.631 ( 0.000 3.117 -0.449) 3.149 5.384 ( 0.000 9.148 -6.363) 11.144 6.687 ( 0.000 7.288 0.395) 7.299 7.196 ( -0.000 8.231 4.296) 9.285 9.975 ( 0.000 10.625 2.140) 10.839 10.061 ( 0.000 15.538 2.891) 15.805 11.431 ( 0.000 -14.232 -17.045) 22.205 11.527 ( 0.000 2.469 -1.762) 3.033 13.104 ( -0.000 -19.742 9.155) 21.762 16.272 ( 0.000 0.176 -2.755) 2.761 ======================= Grid point 135 (84/580) ======================= q-point: ( 0.44 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 1.362 1.219 -3.178) 3.666 3.622 ( 10.150 8.674 0.531) 13.362 4.720 ( 7.391 2.768 -0.518) 7.910 5.441 ( 0.130 6.046 -4.755) 7.693 6.720 ( -1.693 2.779 0.109) 3.256 7.280 ( -2.013 8.802 3.532) 9.695 10.134 ( 3.944 10.245 3.296) 11.462 10.251 ( 5.764 13.794 0.399) 14.955 11.201 ( -2.927 -11.983 -11.114) 16.603 11.616 ( 6.616 1.662 -3.464) 7.651 12.935 ( -1.957 -16.890 7.084) 18.420 16.215 ( -5.986 0.150 -1.978) 6.306 ======================= Grid point 136 (85/580) ======================= q-point: ( 0.50 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 2.558 0.254 -2.209) 3.389 3.932 ( 17.220 6.014 0.227) 18.241 4.927 ( 13.782 2.988 -0.789) 14.125 5.471 ( -0.283 2.824 -2.676) 3.901 6.693 ( -3.409 0.838 0.182) 3.515 7.309 ( -4.853 6.265 2.380) 8.275 10.266 ( -2.302 12.149 0.269) 12.368 10.507 ( 10.544 3.290 0.211) 11.048 11.118 ( 10.452 -4.958 -5.669) 12.883 11.729 ( 5.708 0.923 -2.499) 6.299 12.766 ( -3.282 -12.069 4.762) 13.383 16.063 ( -11.145 -0.252 -1.161) 11.208 ======================= Grid point 137 (86/580) ======================= q-point: ( 0.56 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 3.267 -0.122 -1.078) 3.442 4.302 ( 20.546 3.335 0.125) 20.815 5.226 ( 17.609 3.953 -1.596) 18.118 5.466 ( -0.877 -0.938 -0.113) 1.289 6.626 ( -5.017 0.045 0.206) 5.021 7.247 ( -8.398 2.797 1.179) 8.930 10.296 ( -3.736 6.307 -2.959) 7.905 10.622 ( 5.379 -2.691 2.041) 6.351 11.455 ( 25.866 6.315 -2.940) 26.787 11.782 ( 2.209 -3.802 -0.011) 4.397 12.636 ( -3.131 -5.184 2.177) 6.436 15.836 ( -14.422 -0.661 -0.451) 14.444 ======================= Grid point 138 (87/580) ======================= q-point: (-0.39 -0.61 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 3.506 0.000 -0.000) 3.506 4.672 ( 20.710 0.000 -0.000) 20.710 5.407 ( -4.152 -0.000 0.000) 4.152 5.583 ( 20.559 0.000 -0.000) 20.559 6.527 ( -6.756 -0.000 0.000) 6.756 7.093 ( -11.251 -0.000 0.000) 11.251 10.283 ( 0.369 0.000 -0.000) 0.369 10.713 ( 6.716 0.000 -0.000) 6.716 11.681 ( -8.151 -0.000 0.000) 8.151 12.002 ( 29.721 0.000 -0.000) 29.721 12.571 ( -2.787 -0.000 0.000) 2.787 15.581 ( -14.337 -0.000 0.000) 14.337 ======================= Grid point 154 (88/580) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 0.000 0.428 -2.699) 2.733 3.607 ( 0.000 5.826 0.504) 5.847 4.675 ( 0.000 1.589 -0.278) 1.613 5.477 ( 0.000 4.061 -3.405) 5.300 6.752 ( 0.000 1.087 0.092) 1.091 7.386 ( -0.000 6.941 2.309) 7.314 10.141 ( 0.000 5.161 1.318) 5.327 10.394 ( 0.000 15.946 2.892) 16.206 11.071 ( 0.000 -13.005 -10.481) 16.702 11.566 ( 0.000 2.177 -1.113) 2.445 12.826 ( -0.000 -12.693 4.806) 13.572 16.264 ( 0.000 0.312 -1.320) 1.357 ======================= Grid point 155 (89/580) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 1.383 0.061 -1.407) 1.973 3.739 ( 10.144 2.942 0.219) 10.565 4.754 ( 7.991 0.937 -0.188) 8.048 5.494 ( -0.344 1.847 -1.653) 2.503 6.744 ( -1.825 0.338 0.083) 1.858 7.425 ( -2.352 3.591 1.138) 4.441 10.276 ( 9.899 3.016 1.150) 10.412 10.516 ( -3.883 10.878 0.975) 11.591 10.928 ( 2.537 -9.084 -4.979) 10.665 11.634 ( 5.503 1.028 -0.953) 5.679 12.727 ( -1.703 -6.790 2.427) 7.409 16.210 ( -6.244 0.127 -0.628) 6.277 ======================= Grid point 156 (90/580) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 2.518 0.000 -0.000) 2.518 3.991 ( 17.382 0.000 -0.000) 17.382 4.954 ( 14.762 0.000 -0.000) 14.762 5.489 ( -1.101 -0.000 0.000) 1.101 6.700 ( -3.544 -0.000 0.000) 3.544 7.380 ( -5.284 -0.000 0.000) 5.284 10.440 ( -8.366 -0.000 0.000) 8.366 10.483 ( 9.966 0.000 -0.000) 9.966 11.060 ( 18.720 0.000 -0.000) 18.720 11.728 ( 4.403 0.000 -0.000) 4.403 12.660 ( -2.602 -0.000 0.000) 2.602 16.057 ( -11.520 -0.000 0.000) 11.520 ======================= Grid point 175 (91/580) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 820 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -0.000 0.000 0.000) 0.000 3.665 ( -0.000 0.000 0.000) 0.000 4.689 ( -0.000 0.000 0.000) 0.000 5.504 ( -0.000 0.000 0.000) 0.000 6.761 ( -0.000 0.000 0.000) 0.000 7.464 ( -0.000 0.000 0.000) 0.000 10.195 ( 0.000 0.000 0.000) 0.000 10.649 ( 0.000 -0.000 -0.000) 0.000 10.825 ( -0.000 0.000 0.000) 0.000 11.585 ( -0.000 0.000 0.000) 0.000 12.712 ( 0.000 0.000 -0.000) 0.000 16.263 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 350 (92/580) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.238 ( -0.000 0.000 23.185) 23.185 0.238 ( -0.000 0.000 23.185) 23.185 0.445 ( -0.000 0.000 43.504) 43.504 4.056 ( 0.000 -0.000 -0.617) 0.617 4.056 ( 0.000 -0.000 -0.617) 0.617 8.264 ( -0.000 0.000 0.162) 0.162 8.264 ( -0.000 0.000 0.162) 0.162 8.654 ( 0.000 -0.000 -3.523) 3.523 11.841 ( 0.000 -0.000 -0.177) 0.177 11.841 ( 0.000 -0.000 -0.177) 0.177 15.101 ( -0.000 0.000 1.137) 1.137 15.613 ( 0.000 -0.000 -0.451) 0.451 ======================= Grid point 351 (93/580) ======================= q-point: ( 0.11 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 17.488 10.097 23.129) 30.704 0.756 ( 25.388 14.658 12.536) 31.884 1.176 ( 45.428 26.228 10.161) 53.430 4.066 ( 1.477 0.853 -1.353) 2.177 4.168 ( 8.818 5.091 -0.289) 10.186 7.427 ( -6.583 -3.801 8.735) 11.580 8.323 ( 4.770 2.754 0.760) 5.560 10.613 ( 13.500 7.794 -35.381) 38.663 11.811 ( -2.328 -1.344 -0.550) 2.744 11.837 ( 12.342 7.125 -20.590) 25.041 15.027 ( -6.847 -3.953 2.351) 8.248 16.381 ( 20.594 11.890 -33.356) 40.965 ======================= Grid point 352 (94/580) ======================= q-point: ( 0.17 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 19.775 11.417 16.518) 28.182 1.371 ( 25.499 14.722 8.930) 30.768 2.247 ( 46.577 26.891 3.807) 53.917 4.112 ( 3.055 1.764 -1.909) 4.011 4.441 ( 15.027 8.676 0.642) 17.364 7.359 ( -2.543 -1.468 1.467) 3.282 8.482 ( 9.006 5.200 1.272) 10.477 10.406 ( -16.193 -9.349 -1.067) 18.728 11.738 ( -3.795 -2.191 -0.868) 4.467 12.147 ( 18.513 10.689 -26.697) 34.201 14.826 ( -11.703 -6.757 5.507) 14.592 16.508 ( 1.678 0.969 -15.803) 15.921 ======================= Grid point 353 (95/580) ======================= q-point: ( 0.22 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 20.555 11.868 11.203) 26.246 1.953 ( 23.610 13.631 6.805) 28.099 3.276 ( 43.633 25.191 1.335) 50.400 4.188 ( 4.248 2.452 -2.202) 5.376 4.828 ( 18.490 10.675 1.523) 21.405 7.297 ( -3.252 -1.877 -1.071) 3.904 8.732 ( 12.527 7.233 1.651) 14.559 10.045 ( -14.776 -8.531 3.284) 17.375 11.643 ( -4.033 -2.328 -1.100) 4.785 12.423 ( 12.675 7.318 -22.478) 26.823 14.555 ( -14.462 -8.350 10.475) 19.713 16.412 ( -5.142 -2.969 -12.878) 14.181 ======================= Grid point 354 (96/580) ======================= q-point: ( 0.28 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 19.358 11.176 7.218) 23.490 2.471 ( 20.491 11.831 5.016) 24.187 4.203 ( 38.179 22.042 -0.714) 44.091 4.285 ( 4.880 2.817 -2.206) 6.051 5.264 ( 19.311 11.149 2.235) 22.410 7.199 ( -4.937 -2.850 -2.243) 6.126 9.047 ( 14.602 8.430 1.905) 16.968 9.799 ( -7.694 -4.442 4.117) 9.792 11.559 ( -2.835 -1.637 -1.248) 3.504 12.539 ( 3.655 2.110 -20.657) 21.084 14.257 ( -16.050 -9.266 16.341) 24.708 16.224 ( -6.657 -3.844 -13.717) 15.724 ======================= Grid point 355 (97/580) ======================= q-point: ( 0.33 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 16.190 9.347 4.089) 19.136 2.904 ( 16.562 9.562 3.415) 19.427 4.389 ( 4.855 2.803 -1.951) 5.936 4.976 ( 30.724 17.738 -2.797) 35.587 5.696 ( 17.972 10.376 2.411) 20.892 7.063 ( -6.378 -3.683 -1.844) 7.592 9.386 ( 14.468 8.353 2.041) 16.831 9.739 ( 1.276 0.737 3.877) 4.148 11.516 ( -0.462 -0.267 -1.327) 1.430 12.443 ( -5.510 -3.181 -20.553) 21.515 13.924 ( -19.545 -11.284 19.141) 29.593 16.066 ( -2.490 -1.438 -12.530) 12.856 ======================= Grid point 356 (98/580) ======================= q-point: ( 0.39 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 11.745 6.781 1.534) 13.648 3.238 ( 12.304 7.104 2.099) 14.362 4.486 ( 4.207 2.429 -1.505) 5.086 5.563 ( 22.613 13.055 -4.881) 26.563 6.075 ( 14.689 8.481 1.709) 17.048 6.913 ( -6.432 -3.714 0.561) 7.448 9.694 ( 11.935 6.891 2.004) 13.927 9.878 ( 9.687 5.593 2.826) 11.537 11.532 ( 2.191 1.265 -1.327) 2.857 12.187 ( -10.176 -5.875 -19.583) 22.838 13.483 ( -24.950 -14.405 16.513) 33.207 16.044 ( 3.326 1.920 -7.859) 8.747 ======================= Grid point 357 (99/580) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 7.142 4.123 -0.586) 8.268 3.473 ( 8.054 4.650 1.160) 9.372 4.565 ( 3.096 1.788 -0.942) 3.697 5.966 ( 15.154 8.749 -7.461) 19.023 6.354 ( 9.471 5.468 0.384) 10.943 6.794 ( -4.578 -2.643 5.147) 7.378 9.925 ( 7.881 4.550 1.707) 9.259 10.175 ( 15.467 8.930 1.418) 17.916 11.597 ( 3.642 2.103 -1.204) 4.375 11.897 ( -9.143 -5.279 -17.472) 20.414 12.934 ( -27.416 -15.829 12.919) 34.192 16.133 ( 5.490 3.170 -3.391) 7.189 ======================= Grid point 358 (100/580) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( 3.229 1.864 -2.308) 4.385 3.610 ( 3.899 2.251 0.545) 4.535 4.617 ( 1.724 0.995 -0.325) 2.017 6.203 ( 8.844 5.106 -10.606) 14.723 6.491 ( 2.697 1.557 -0.241) 3.123 6.754 ( -1.407 -0.812 10.361) 10.488 10.059 ( 3.606 2.082 1.173) 4.326 10.542 ( 15.290 8.828 0.148) 17.656 11.671 ( 2.820 1.628 -0.964) 3.396 11.696 ( -2.765 -1.596 -15.494) 15.820 12.384 ( -23.820 -13.753 11.922) 29.978 16.236 ( 3.814 2.202 -1.059) 4.530 ======================= Grid point 359 (101/580) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 0.002 0.001 -3.634) 3.634 3.652 ( -0.232 -0.134 0.078) 0.279 4.639 ( 0.241 0.139 0.296) 0.406 6.298 ( 2.736 1.580 -12.232) 12.634 6.509 ( -0.086 -0.050 1.890) 1.893 6.763 ( -2.046 -1.181 11.581) 11.819 10.098 ( -0.380 -0.219 0.536) 0.693 10.739 ( -0.673 -0.388 -1.466) 1.659 11.704 ( 0.246 0.142 -0.665) 0.724 11.734 ( 12.214 7.052 -14.312) 20.093 12.020 ( -10.577 -6.107 13.669) 18.331 16.284 ( 0.462 0.267 0.025) 0.534 ======================= Grid point 360 (102/580) ======================= q-point: (-0.39 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -3.288 -1.898 -4.581) 5.950 3.599 ( -4.443 -2.565 -0.451) 5.150 4.630 ( -1.258 -0.727 0.869) 1.693 6.224 ( -5.938 -3.428 -9.273) 11.532 6.530 ( 0.072 0.041 2.654) 2.655 6.728 ( -3.276 -1.891 9.290) 10.031 10.046 ( -4.322 -2.495 -0.071) 4.991 10.515 ( -15.531 -8.967 -2.447) 18.100 11.677 ( -2.336 -1.349 -0.338) 2.718 12.005 ( 4.573 2.640 13.315) 14.324 12.122 ( 23.237 13.416 -12.310) 29.521 16.262 ( -2.253 -1.301 1.406) 2.957 ======================= Grid point 361 (103/580) ======================= q-point: (-0.33 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( -7.379 -4.260 -5.181) 9.972 3.448 ( -8.807 -5.085 -1.185) 10.239 4.589 ( -2.682 -1.548 1.344) 3.376 5.983 ( -13.038 -7.528 -5.994) 16.205 6.415 ( -11.785 -6.804 6.061) 14.897 6.772 ( 5.217 3.012 3.313) 6.874 9.901 ( -8.458 -4.883 -0.575) 9.784 10.135 ( -16.027 -9.253 -2.536) 18.680 11.610 ( -3.208 -1.852 0.014) 3.704 12.240 ( 10.949 6.322 15.554) 20.045 12.632 ( 25.057 14.467 -15.990) 33.057 16.213 ( -2.429 -1.402 4.073) 4.945 ======================= Grid point 362 (104/580) ======================= q-point: (-0.28 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( -12.282 -7.091 -5.453) 15.194 3.193 ( -13.301 -7.679 -2.128) 15.505 4.520 ( -3.879 -2.239 1.675) 4.782 5.589 ( -20.919 -12.078 -2.789) 24.316 6.091 ( -17.652 -10.191 3.678) 20.712 6.932 ( 7.450 4.301 2.363) 8.921 9.663 ( -12.306 -7.105 -0.939) 14.240 9.820 ( -10.453 -6.035 -2.846) 12.401 11.550 ( -1.868 -1.078 0.361) 2.187 12.551 ( 10.919 6.304 14.709) 19.374 13.117 ( 22.934 13.241 -17.806) 31.911 16.205 ( 0.479 0.276 7.341) 7.362 ======================= Grid point 363 (105/580) ======================= q-point: (-0.22 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -17.169 -9.913 -5.359) 20.537 2.835 ( -17.723 -10.232 -3.107) 20.699 4.429 ( -4.653 -2.687 1.822) 5.673 5.008 ( -30.394 -17.548 0.044) 35.096 5.674 ( -19.513 -11.266 0.559) 22.539 7.103 ( 6.657 3.844 1.902) 7.919 9.352 ( -14.642 -8.454 -1.160) 16.947 9.668 ( -1.737 -1.003 -3.059) 3.658 11.537 ( 0.648 0.374 0.638) 0.983 12.780 ( 4.876 2.815 9.776) 11.281 13.557 ( 21.358 12.331 -14.016) 28.367 16.289 ( 4.333 2.502 8.677) 10.017 ======================= Grid point 364 (106/580) ======================= q-point: (-0.17 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -20.942 -12.091 -4.697) 24.633 2.378 ( -21.693 -12.525 -3.821) 25.339 4.227 ( -38.829 -22.418 1.553) 44.863 4.326 ( -4.846 -2.798 1.749) 5.863 5.230 ( -19.546 -11.285 -0.955) 22.590 7.233 ( 4.388 2.533 1.019) 5.168 9.014 ( -14.613 -8.437 -1.242) 16.919 9.727 ( 7.783 4.494 -2.879) 9.437 11.581 ( 2.880 1.663 0.776) 3.415 12.825 ( -2.865 -1.654 4.932) 5.939 13.991 ( 20.276 11.706 -7.439) 24.566 16.437 ( 5.925 3.421 6.608) 9.512 ======================= Grid point 365 (107/580) ======================= q-point: (-0.11 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -22.934 -13.241 -2.873) 26.637 1.839 ( -24.811 -14.324 -3.928) 28.917 3.289 ( -44.651 -25.779 2.541) 51.621 4.227 ( -4.409 -2.546 1.437) 5.290 4.799 ( -18.140 -10.473 -1.273) 20.985 7.308 ( 2.198 1.269 0.094) 2.540 8.702 ( -12.374 -7.144 -1.163) 14.335 9.986 ( 15.490 8.943 -2.544) 18.066 11.663 ( 3.939 2.274 0.737) 4.608 12.699 ( -9.153 -5.285 2.438) 10.847 14.408 ( 17.929 10.351 -2.600) 20.865 16.577 ( 4.726 2.728 2.301) 5.922 ======================= Grid point 366 (108/580) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -23.090 -13.331 1.815) 26.724 1.243 ( -26.825 -15.488 -2.908) 31.111 2.252 ( -48.059 -27.747 4.080) 55.643 4.142 ( -3.405 -1.966 0.895) 4.032 4.422 ( -14.459 -8.348 -1.174) 16.737 7.341 ( 0.970 0.560 0.110) 1.126 8.460 ( -8.677 -5.010 -0.889) 10.059 10.381 ( 19.700 11.374 -3.253) 22.979 11.752 ( 3.585 2.070 0.529) 4.174 12.436 ( -14.289 -8.250 -2.114) 16.634 14.765 ( 13.782 7.957 0.163) 15.915 16.655 ( 2.205 1.273 -4.180) 4.895 ======================= Grid point 369 (109/580) ======================= q-point: ( 0.11 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -0.000 26.476 9.074) 27.987 0.788 ( -0.000 16.795 26.059) 31.003 1.294 ( -0.000 50.957 15.524) 53.269 4.081 ( 0.000 2.561 -0.455) 2.601 4.146 ( 0.000 9.421 -1.556) 9.548 7.453 ( -0.000 -10.666 9.297) 14.149 8.307 ( 0.000 4.753 -0.171) 4.756 10.439 ( 0.000 25.032 -39.155) 46.473 11.820 ( -0.000 -2.222 -0.017) 2.222 11.847 ( 0.000 15.233 -17.290) 23.043 15.031 ( -0.000 -8.219 2.632) 8.630 16.256 ( 0.000 26.631 -30.553) 40.530 ======================= Grid point 370 (110/580) ======================= q-point: ( 0.17 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 11.681 15.492 20.998) 28.589 1.190 ( 20.061 22.686 7.259) 31.141 2.033 ( 22.319 47.361 8.445) 53.033 4.109 ( 0.448 4.140 -1.236) 4.344 4.336 ( 9.097 12.349 -0.452) 15.345 7.381 ( -1.890 -3.881 2.760) 5.124 8.420 ( 5.837 7.122 0.472) 9.220 10.430 ( -2.296 -12.249 -8.489) 15.079 11.754 ( -2.947 -2.723 -1.231) 4.197 12.013 ( 6.040 21.834 -25.720) 34.274 14.899 ( -5.371 -11.247 4.816) 13.362 16.418 ( 4.904 7.583 -19.536) 21.522 ======================= Grid point 371 (111/580) ======================= q-point: ( 0.22 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 15.690 14.066 15.266) 26.021 1.780 ( 20.782 21.078 5.832) 30.169 2.944 ( 31.579 38.984 3.581) 50.297 4.172 ( 1.923 5.588 -1.740) 6.161 4.668 ( 14.466 13.815 0.856) 20.021 7.320 ( -2.369 -2.699 -0.455) 3.620 8.637 ( 9.474 9.896 1.250) 13.756 10.156 ( -9.865 -15.103 1.485) 18.101 11.671 ( -2.919 -3.204 -1.104) 4.472 12.250 ( 9.268 15.040 -25.175) 30.755 14.680 ( -8.861 -12.926 8.834) 17.990 16.413 ( -2.360 -0.371 -14.230) 14.429 ======================= Grid point 372 (112/580) ======================= q-point: ( 0.28 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 17.235 12.245 10.086) 23.425 2.328 ( 18.109 20.004 4.411) 27.342 3.840 ( 32.654 29.876 -0.069) 44.259 4.271 ( 3.057 8.027 -1.434) 8.708 5.079 ( 17.219 13.661 2.032) 22.074 7.236 ( -3.779 -3.139 -2.043) 5.321 8.933 ( 11.848 12.230 1.892) 17.132 9.882 ( -7.943 -9.787 3.569) 13.100 11.592 ( -2.912 -1.623 -1.144) 3.525 12.407 ( 6.188 5.423 -22.731) 24.175 14.422 ( -10.708 -13.731 14.163) 22.445 16.262 ( -7.053 -2.850 -13.897) 15.843 ======================= Grid point 373 (113/580) ======================= q-point: ( 0.33 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 16.423 9.474 5.983) 19.881 2.804 ( 14.227 18.629 2.821) 23.609 4.350 ( 5.447 6.643 -3.038) 9.112 4.671 ( 27.075 24.585 -1.047) 36.586 5.512 ( 17.517 12.315 2.800) 21.595 7.117 ( -5.267 -3.855 -2.130) 6.866 9.274 ( 12.351 13.250 2.515) 18.288 9.748 ( -1.493 -2.941 3.547) 4.843 11.541 ( -2.092 0.998 -1.254) 2.635 12.391 ( -0.719 -2.846 -21.811) 22.008 14.139 ( -13.410 -14.954 18.231) 27.126 16.071 ( -5.675 -2.083 -13.609) 14.891 ======================= Grid point 374 (114/580) ======================= q-point: ( 0.39 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 13.755 6.170 2.631) 15.303 3.186 ( 9.655 16.804 1.449) 19.434 4.473 ( 2.830 7.298 -2.067) 8.096 5.301 ( 23.270 17.306 -4.241) 29.309 5.914 ( 15.592 10.005 2.798) 18.736 6.978 ( -5.782 -4.013 -0.270) 7.044 9.605 ( 10.718 11.849 3.305) 16.316 9.805 ( 6.064 4.581 2.065) 7.875 11.535 ( -0.601 3.150 -1.355) 3.481 12.200 ( -6.500 -6.991 -20.810) 22.895 13.769 ( -19.631 -16.950 17.141) 31.089 15.977 ( 1.111 -0.188 -9.814) 9.879 ======================= Grid point 375 (115/580) ======================= q-point: ( 0.44 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 10.051 3.067 -0.240) 10.511 3.466 ( 5.022 14.525 0.624) 15.381 4.576 ( 1.223 7.763 -1.362) 7.976 5.760 ( 17.127 10.991 -7.287) 21.615 6.238 ( 11.673 6.798 2.075) 13.667 6.857 ( -4.593 -3.325 3.708) 6.775 9.887 ( 8.329 10.778 3.319) 14.020 10.032 ( 11.209 9.392 0.380) 14.628 11.557 ( 0.475 0.886 -2.136) 2.360 11.946 ( -7.502 -4.015 -17.810) 19.738 13.268 ( -25.170 -17.257 13.186) 33.244 16.025 ( 6.639 -0.074 -4.731) 8.152 ======================= Grid point 376 (116/580) ======================= q-point: ( 0.50 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 6.193 0.576 -2.669) 6.768 3.646 ( 0.768 12.089 0.381) 12.119 4.654 ( -0.656 7.822 -0.670) 7.878 6.050 ( 11.179 6.163 -10.747) 16.687 6.442 ( 5.906 3.128 1.029) 6.761 6.797 ( -1.639 -2.284 9.271) 9.688 10.100 ( 1.885 12.203 2.318) 12.563 10.356 ( 15.942 9.058 -0.752) 18.351 11.507 ( 0.586 -9.284 -7.093) 11.699 11.815 ( -4.078 6.967 -9.722) 12.636 12.715 ( -25.558 -13.922 10.748) 31.025 16.133 ( 7.585 -1.883 -1.642) 7.986 ======================= Grid point 377 (117/580) ======================= q-point: ( 0.56 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 2.767 -1.437 -4.481) 5.459 3.733 ( -3.250 9.890 0.369) 10.416 4.700 ( -2.596 7.407 -0.010) 7.848 6.196 ( 6.136 2.600 -13.319) 14.893 6.512 ( 0.805 0.323 1.509) 1.741 6.806 ( -0.151 -2.332 12.787) 12.999 10.200 ( -4.350 11.400 1.255) 12.266 10.673 ( 10.297 4.697 -1.706) 11.446 11.435 ( 7.254 -9.140 -8.538) 14.459 11.809 ( -2.414 6.261 -4.649) 8.163 12.276 ( -17.985 -3.541 9.849) 20.809 16.212 ( 5.423 -4.289 -0.381) 6.925 ======================= Grid point 378 (118/580) ======================= q-point: (-0.39 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( -0.355 -3.424 -5.543) 6.525 3.731 ( -7.458 8.025 0.151) 10.957 4.710 ( -4.366 6.519 0.610) 7.869 6.210 ( -0.207 -1.669 -13.203) 13.310 6.529 ( 0.888 0.375 2.738) 2.903 6.797 ( -2.969 -3.865 12.729) 13.630 10.184 ( -8.901 7.718 0.242) 11.784 10.662 ( -10.066 -4.992 -2.417) 11.493 11.524 ( 11.636 -7.282 -3.223) 14.100 11.909 ( 11.406 8.775 -4.948) 15.218 12.131 ( -6.759 8.226 7.491) 13.018 16.228 ( 2.577 -5.985 0.558) 6.540 ======================= Grid point 379 (119/580) ======================= q-point: (-0.33 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( -3.845 -5.669 -5.907) 9.045 3.636 ( -12.083 6.193 -0.471) 13.586 4.684 ( -5.850 5.270 1.156) 7.958 6.065 ( -7.588 -5.999 -9.983) 13.901 6.530 ( -4.647 -2.997 4.728) 7.275 6.752 ( -0.077 -1.431 8.241) 8.365 10.052 ( -11.853 1.297 -0.646) 11.942 10.341 ( -17.591 -5.715 -1.831) 18.586 11.595 ( 3.360 -3.256 -0.211) 4.683 12.209 ( 6.148 5.701 14.318) 16.592 12.313 ( 20.780 14.545 -15.123) 29.530 16.201 ( 1.154 -5.872 2.387) 6.443 ======================= Grid point 380 (120/580) ======================= q-point: (-0.28 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -8.209 -7.948 -5.722) 12.779 3.437 ( -17.011 3.969 -1.374) 17.522 4.624 ( -6.973 3.827 1.547) 8.103 5.775 ( -14.807 -9.085 -6.641) 18.597 6.301 ( -15.860 -8.850 6.187) 19.187 6.853 ( 6.920 2.702 3.416) 8.176 9.812 ( -12.996 -5.194 -1.371) 14.062 10.007 ( -16.773 -1.371 -1.318) 16.881 11.585 ( -2.037 0.395 -0.260) 2.092 12.465 ( 10.926 5.725 13.056) 17.961 12.775 ( 24.143 10.819 -15.895) 30.864 16.191 ( 2.234 -3.585 5.018) 6.560 ======================= Grid point 381 (121/580) ======================= q-point: (-0.22 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -13.308 -9.652 -5.064) 17.202 3.129 ( -21.825 1.324 -2.236) 21.979 4.536 ( -7.616 2.363 1.706) 8.155 5.330 ( -24.343 -11.978 -3.057) 27.302 5.911 ( -20.159 -10.337 3.277) 22.891 7.020 ( 7.789 2.958 2.118) 8.597 9.532 ( -13.726 -5.443 -1.120) 14.808 9.748 ( -11.065 -0.274 -1.834) 11.219 11.558 ( -1.834 1.792 -0.033) 2.565 12.717 ( 8.634 2.523 6.859) 11.312 13.230 ( 24.132 9.037 -11.485) 28.212 16.252 ( 4.869 -0.362 6.586) 8.199 ======================= Grid point 382 (122/580) ======================= q-point: (-0.17 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -18.367 -10.171 -3.734) 21.325 2.715 ( -26.029 -1.159 -2.711) 26.196 4.428 ( -7.644 1.018 1.644) 7.884 4.689 ( -35.483 -14.413 -0.098) 38.299 5.470 ( -20.788 -9.522 0.486) 22.870 7.171 ( 6.165 2.062 1.087) 6.591 9.219 ( -16.924 -4.468 -0.740) 17.520 9.662 ( 1.339 1.718 -2.123) 3.041 11.566 ( 0.694 1.902 0.225) 2.037 12.829 ( 2.185 -1.052 0.465) 2.469 13.692 ( 23.686 8.152 -4.798) 25.505 16.380 ( 6.533 1.578 5.216) 8.507 ======================= Grid point 383 (123/580) ======================= q-point: (-0.11 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -22.367 -9.025 -1.132) 24.146 2.217 ( -29.356 -2.575 -2.429) 29.569 3.866 ( -44.660 -14.746 1.755) 47.064 4.314 ( -6.906 -0.017 1.056) 6.986 5.037 ( -20.425 -7.348 -0.588) 21.715 7.271 ( 3.699 0.968 0.147) 3.826 8.891 ( -16.342 -3.521 -0.626) 16.729 9.803 ( 11.966 4.327 -1.678) 12.834 11.616 ( 3.168 1.188 0.323) 3.399 12.782 ( -4.738 -2.940 -2.903) 6.286 14.145 ( 21.991 6.710 -0.288) 22.994 16.515 ( 5.917 1.474 1.238) 6.223 ======================= Grid point 384 (124/580) ======================= q-point: (-0.06 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -24.531 -5.583 3.948) 25.466 1.671 ( -31.679 -1.776 -0.778) 31.738 2.930 ( -51.095 -11.651 2.957) 52.490 4.207 ( -5.549 -0.729 0.359) 5.608 4.645 ( -18.844 -3.848 -0.619) 19.243 7.322 ( 1.949 0.362 -0.046) 1.983 8.610 ( -13.249 -1.732 -0.337) 13.366 10.114 ( 19.206 4.990 -1.349) 19.889 11.690 ( 4.433 0.122 0.169) 4.438 12.593 ( -11.882 -3.695 -7.411) 14.483 14.550 ( 18.750 4.263 2.175) 19.351 16.603 ( 3.590 0.465 -4.348) 5.658 ======================= Grid point 388 (125/580) ======================= q-point: ( 0.17 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 27.935 4.924) 28.366 1.287 ( -0.000 17.941 20.434) 27.192 2.387 ( 0.000 51.750 8.277) 52.408 4.147 ( 0.000 4.397 -0.394) 4.415 4.397 ( 0.000 17.006 -1.151) 17.045 7.363 ( -0.000 -3.994 1.686) 4.335 8.449 ( 0.000 9.876 -0.109) 9.876 10.286 ( 0.000 -14.735 -5.755) 15.819 11.757 ( -0.000 -4.004 -0.045) 4.004 12.101 ( 0.000 21.834 -25.961) 33.922 14.832 ( -0.000 -14.628 5.767) 15.724 16.396 ( 0.000 7.776 -17.175) 18.853 ======================= Grid point 389 (126/580) ======================= q-point: ( 0.22 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 7.242 16.978 16.784) 24.948 1.701 ( 15.557 25.234 3.751) 29.880 3.014 ( 12.875 47.295 4.549) 49.227 4.202 ( 1.171 5.951 -0.750) 6.112 4.639 ( 7.353 18.679 0.134) 20.075 7.320 ( -1.251 -3.220 -0.285) 3.466 8.613 ( 6.173 12.261 0.536) 13.738 10.096 ( -2.709 -17.225 -0.032) 17.436 11.685 ( -2.892 -3.647 -0.787) 4.721 12.230 ( 2.636 16.519 -25.124) 30.184 14.669 ( -3.746 -16.542 8.540) 18.990 16.398 ( -0.720 2.329 -14.072) 14.282 ======================= Grid point 390 (127/580) ======================= q-point: ( 0.28 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 11.447 14.527 12.319) 22.222 2.244 ( 18.314 23.073 2.760) 29.587 3.725 ( 19.609 37.797 -0.031) 42.581 4.306 ( 3.123 9.141 -0.457) 9.670 4.989 ( 11.832 18.227 1.841) 21.809 7.253 ( -2.668 -3.362 -1.699) 4.616 8.888 ( 9.965 14.759 1.666) 17.886 9.884 ( -4.344 -13.168 2.585) 14.105 11.609 ( -1.885 -2.311 -1.334) 3.267 12.317 ( 2.691 7.713 -23.479) 24.859 14.454 ( -6.055 -17.440 12.592) 22.347 16.304 ( -5.502 -1.116 -13.165) 14.312 ======================= Grid point 391 (128/580) ======================= q-point: ( 0.33 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 12.964 11.332 7.895) 18.942 2.763 ( 15.804 21.994 1.722) 27.138 4.289 ( 11.216 15.724 -5.366) 20.045 4.570 ( 14.413 23.299 1.510) 27.438 5.388 ( 13.931 16.445 3.148) 21.781 7.152 ( -4.187 -3.902 -1.995) 6.061 9.232 ( 11.214 16.378 3.136) 20.095 9.744 ( -1.553 -5.728 2.657) 6.502 11.574 ( -0.675 0.619 -1.558) 1.807 12.294 ( -0.097 -1.604 -22.485) 22.543 14.213 ( -7.927 -18.337 16.484) 25.900 16.124 ( -7.840 -1.737 -13.025) 15.302 ======================= Grid point 392 (129/580) ======================= q-point: ( 0.39 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 12.320 7.545 4.014) 14.994 3.208 ( 11.216 21.189 0.638) 23.983 4.494 ( 4.165 10.277 -3.883) 11.749 5.111 ( 19.503 20.734 -2.341) 28.561 5.783 ( 13.714 13.483 3.497) 19.547 7.029 ( -5.031 -4.052 -0.662) 6.494 9.572 ( 9.137 12.048 5.457) 16.076 9.770 ( 5.086 6.453 0.240) 8.220 11.586 ( -0.479 4.426 -1.593) 4.728 12.135 ( -3.603 -7.853 -21.689) 23.347 13.919 ( -12.389 -19.767 17.107) 28.929 15.959 ( -4.137 -1.075 -10.749) 11.568 ======================= Grid point 393 (130/580) ======================= q-point: ( 0.44 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 10.252 3.793 0.613) 10.948 3.555 ( 5.762 20.167 -0.008) 20.974 4.639 ( 2.117 11.107 -2.776) 11.643 5.570 ( 16.433 13.261 -5.398) 21.796 6.122 ( 11.545 9.240 3.029) 15.094 6.911 ( -4.549 -3.536 2.407) 6.244 9.815 ( 10.230 6.002 3.844) 12.468 10.023 ( 7.231 17.759 0.415) 19.179 11.598 ( -3.743 2.882 -2.987) 5.589 11.927 ( -2.542 -5.189 -18.272) 19.164 13.511 ( -18.991 -19.730 13.852) 30.688 15.908 ( 2.946 -1.858 -6.122) 7.043 ======================= Grid point 394 (131/580) ======================= q-point: ( 0.50 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 7.501 0.642 -2.279) 7.865 3.796 ( 0.369 18.846 0.026) 18.850 4.761 ( -0.207 11.906 -1.747) 12.035 5.886 ( 11.845 7.568 -8.918) 16.647 6.365 ( 7.972 4.632 2.504) 9.554 6.832 ( -2.539 -3.018 6.832) 7.888 10.099 ( 13.791 8.181 1.506) 16.106 10.302 ( 4.111 18.649 0.432) 19.102 11.445 ( -6.432 -8.305 -8.558) 13.549 11.888 ( -0.053 7.014 -8.994) 11.405 13.016 ( -22.433 -16.092 10.291) 29.463 15.958 ( 7.533 -4.644 -2.355) 9.157 ======================= Grid point 395 (132/580) ======================= q-point: ( 0.56 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 4.581 -1.674 -4.425) 6.586 3.938 ( -4.409 17.306 0.442) 17.865 4.849 ( -2.955 12.197 -0.751) 12.572 6.064 ( 7.437 3.409 -12.223) 14.708 6.493 ( 3.046 1.114 1.921) 3.770 6.815 ( 0.282 -3.445 11.365) 11.879 10.401 ( 5.313 13.958 1.875) 15.052 10.532 ( 6.417 12.673 -2.820) 14.482 11.256 ( -0.206 -9.783 -7.329) 12.225 11.905 ( -4.059 5.194 -4.296) 7.868 12.573 ( -18.336 -6.034 7.407) 20.676 16.030 ( 8.223 -7.851 -0.651) 11.388 ======================= Grid point 396 (133/580) ======================= q-point: (-0.39 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 1.612 -3.310 -5.607) 6.708 3.989 ( -8.738 15.494 0.638) 17.800 4.892 ( -5.705 11.789 0.190) 13.099 6.125 ( 3.118 -0.582 -13.790) 14.150 6.527 ( 0.677 -0.140 2.407) 2.504 6.825 ( -0.161 -4.808 13.047) 13.906 10.477 ( -12.122 13.811 0.061) 18.377 10.704 ( 2.758 1.141 -3.422) 4.541 11.257 ( 10.333 -2.884 -3.649) 11.331 11.851 ( -0.318 0.795 -0.420) 0.954 12.370 ( -9.590 6.698 3.489) 12.207 16.069 ( 6.783 -9.946 0.073) 12.039 ======================= Grid point 397 (134/580) ======================= q-point: (-0.33 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -1.703 -4.588 -5.827) 7.609 3.947 ( -13.089 13.163 0.239) 18.564 4.887 ( -8.055 10.647 1.011) 13.389 6.057 ( -2.588 -5.028 -12.370) 13.601 6.552 ( 0.797 -0.187 2.536) 2.665 6.788 ( -2.850 -5.418 11.827) 13.318 10.304 ( -15.865 1.654 -1.803) 16.053 10.590 ( -13.906 0.882 -0.922) 13.965 11.452 ( 10.803 2.790 0.034) 11.158 12.017 ( 16.064 5.034 -2.327) 16.994 12.345 ( -3.905 8.813 1.480) 9.753 16.074 ( 5.423 -9.822 1.110) 11.274 ======================= Grid point 398 (135/580) ======================= q-point: (-0.28 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -5.728 -5.592 -5.256) 9.576 3.801 ( -17.693 10.120 -0.619) 20.392 4.835 ( -9.780 8.799 1.534) 13.245 5.863 ( -8.520 -7.682 -9.352) 14.801 6.474 ( -10.095 -6.122 5.607) 13.070 6.785 ( 4.025 -0.218 5.664) 6.952 10.000 ( -15.999 -5.074 -1.783) 16.879 10.325 ( -18.731 3.104 0.087) 18.987 11.612 ( 2.033 5.797 -0.146) 6.145 12.386 ( 16.027 3.435 11.301) 19.909 12.443 ( 11.774 7.998 -14.054) 20.003 16.086 ( 5.582 -7.203 2.752) 9.519 ======================= Grid point 399 (136/580) ======================= q-point: (-0.22 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -10.505 -6.030 -4.049) 12.771 3.541 ( -22.336 6.624 -1.446) 23.342 4.740 ( -10.701 6.326 1.567) 12.529 5.556 ( -15.795 -8.377 -6.113) 18.895 6.166 ( -18.677 -8.604 5.111) 21.189 6.916 ( 7.841 1.558 2.491) 8.373 9.694 ( -13.149 -4.931 -1.139) 14.089 10.027 ( -19.306 2.320 -0.154) 19.446 11.638 ( -4.024 5.270 -0.833) 6.683 12.596 ( 9.383 1.519 1.114) 9.571 12.855 ( 25.142 5.860 -4.781) 26.255 16.151 ( 7.043 -3.445 3.776) 8.702 ======================= Grid point 400 (137/580) ======================= q-point: (-0.17 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -15.601 -5.360 -2.153) 16.636 3.170 ( -26.473 3.441 -1.754) 26.753 4.611 ( -10.643 3.470 1.010) 11.240 5.107 ( -26.636 -7.934 -2.568) 27.911 5.750 ( -21.572 -7.576 2.546) 23.005 7.072 ( 7.793 1.204 1.036) 7.953 9.447 ( -12.863 -2.625 -0.051) 13.128 9.755 ( -12.499 1.284 -0.876) 12.595 11.609 ( -3.279 3.169 -0.632) 4.604 12.734 ( 6.899 -0.846 -5.183) 8.670 13.333 ( 25.363 5.225 1.379) 25.932 16.273 ( 8.135 -0.926 2.572) 8.582 ======================= Grid point 401 (138/580) ======================= q-point: (-0.11 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -20.170 -2.999 0.759) 20.406 2.713 ( -29.552 1.481 -1.167) 29.612 4.449 ( -17.761 -2.098 -3.454) 18.215 4.492 ( -30.413 -3.116 3.647) 30.789 5.334 ( -21.201 -4.058 0.767) 21.599 7.198 ( 5.829 0.384 -0.070) 5.842 9.165 ( -17.913 -1.038 0.498) 17.950 9.689 ( 3.232 1.598 -0.605) 3.656 11.599 ( -0.101 1.127 -0.351) 1.184 12.772 ( 1.354 -1.369 -7.952) 8.182 13.810 ( 24.236 3.893 4.693) 24.991 16.406 ( 7.670 -0.678 -0.919) 7.755 ======================= Grid point 402 (139/580) ======================= q-point: (-0.06 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -23.094 1.434 5.092) 23.692 2.210 ( -31.124 1.711 0.745) 31.180 3.713 ( -46.889 -1.045 0.664) 46.905 4.314 ( -7.976 -0.720 -0.269) 8.013 4.965 ( -20.597 0.546 0.529) 20.611 7.276 ( 3.668 -0.180 -0.603) 3.721 8.863 ( -16.942 0.490 0.660) 16.962 9.856 ( 13.771 1.129 0.523) 13.827 11.625 ( 2.786 -0.218 -0.376) 2.820 12.693 ( -5.908 -0.755 -11.128) 12.622 14.246 ( 21.714 1.490 6.412) 22.690 16.501 ( 5.993 -1.602 -5.378) 8.210 ======================= Grid point 407 (140/580) ======================= q-point: ( 0.22 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -0.000 17.353 14.559) 22.651 1.827 ( 0.000 26.647 3.187) 26.837 3.393 ( 0.000 46.773 2.557) 46.843 4.242 ( 0.000 5.551 -0.480) 5.572 4.785 ( 0.000 22.766 0.838) 22.781 7.298 ( -0.000 -3.266 -0.789) 3.360 8.689 ( 0.000 14.535 0.407) 14.541 9.953 ( -0.000 -16.021 1.243) 16.070 11.670 ( -0.000 -4.656 -0.325) 4.667 12.270 ( 0.000 12.508 -25.472) 28.377 14.557 ( -0.000 -18.650 9.926) 21.127 16.385 ( 0.000 2.199 -12.734) 12.922 ======================= Grid point 408 (141/580) ======================= q-point: ( 0.28 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 4.864 15.592 11.648) 20.061 2.209 ( 12.823 24.510 2.157) 27.746 3.890 ( 6.951 39.947 -1.350) 40.570 4.327 ( 3.530 7.344 -0.240) 8.152 5.065 ( 4.693 24.110 2.609) 24.701 7.249 ( -1.466 -3.480 -1.486) 4.058 8.901 ( 6.612 16.488 1.234) 17.808 9.808 ( -1.135 -12.416 2.822) 12.784 11.606 ( -1.625 -3.619 -1.102) 4.118 12.283 ( 0.455 5.687 -24.424) 25.081 14.384 ( -2.519 -19.695 12.449) 23.435 16.333 ( -3.227 0.356 -11.901) 12.336 ======================= Grid point 409 (142/580) ======================= q-point: ( 0.33 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 8.105 12.405 8.142) 16.908 2.704 ( 16.859 22.390 1.229) 28.054 4.304 ( 5.643 20.431 -5.761) 21.965 4.569 ( 11.706 19.407 0.813) 22.679 5.413 ( 7.269 23.309 4.049) 24.750 7.169 ( -3.038 -3.854 -1.625) 5.170 9.227 ( 10.466 17.957 3.087) 21.012 9.709 ( -0.359 -5.914 2.735) 6.526 11.562 ( 0.426 -1.291 -2.191) 2.579 12.218 ( -1.295 -1.669 -22.805) 22.903 14.176 ( -4.361 -20.548 15.083) 25.860 16.200 ( -7.198 -0.746 -11.564) 13.641 ======================= Grid point 410 (143/580) ======================= q-point: ( 0.39 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 9.238 8.531 4.469) 13.345 3.196 ( 15.302 21.381 0.486) 26.297 4.511 ( 4.564 12.476 -5.351) 14.322 5.012 ( 15.542 19.301 -1.530) 24.827 5.772 ( 7.925 20.198 4.168) 22.094 7.066 ( -4.156 -3.818 -0.584) 5.674 9.565 ( 7.004 10.365 6.568) 14.129 9.752 ( 6.611 9.608 -0.326) 11.667 11.590 ( 3.351 2.430 -2.965) 5.092 12.050 ( -4.184 -7.418 -21.308) 22.947 13.931 ( -6.958 -21.788 16.133) 27.990 16.020 ( -7.953 -0.910 -10.252) 13.007 ======================= Grid point 411 (144/580) ======================= q-point: ( 0.44 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 8.736 4.599 1.082) 9.932 3.627 ( 10.632 21.236 0.038) 23.748 4.687 ( 4.068 12.252 -4.805) 13.775 5.423 ( 15.021 12.871 -2.956) 20.001 6.084 ( 6.990 14.495 3.219) 16.411 6.960 ( -4.340 -3.160 1.716) 5.636 9.731 ( 6.643 4.808 2.966) 8.720 10.080 ( 9.393 20.404 2.290) 22.579 11.683 ( 0.025 6.328 -2.934) 6.975 11.817 ( -1.793 -9.048 -19.745) 21.793 13.612 ( -11.712 -22.215 14.313) 28.906 15.872 ( -3.833 -1.933 -6.999) 8.210 ======================= Grid point 412 (145/580) ======================= q-point: ( 0.50 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 7.239 1.258 -1.755) 7.554 3.963 ( 4.402 21.322 0.106) 21.772 4.853 ( 2.789 12.647 -3.882) 13.521 5.741 ( 11.934 8.094 -5.269) 15.352 6.307 ( 5.766 7.418 2.769) 9.795 6.875 ( -3.556 -2.645 4.721) 6.475 9.947 ( 11.549 7.146 -0.767) 13.603 10.424 ( 6.383 20.092 4.035) 21.464 11.485 ( -10.219 -7.181 -12.314) 17.539 11.889 ( 5.781 8.722 -7.185) 12.693 13.208 ( -16.273 -19.506 10.898) 27.642 15.809 ( 2.225 -5.144 -3.266) 6.487 ======================= Grid point 413 (146/580) ======================= q-point: ( 0.56 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 5.254 -1.105 -3.789) 6.571 4.190 ( -1.996 20.939 0.563) 21.042 4.997 ( 0.430 13.125 -2.467) 13.362 5.942 ( 7.317 4.741 -9.038) 12.558 6.447 ( 4.449 1.652 3.108) 5.673 6.822 ( -1.659 -3.497 8.033) 8.917 10.243 ( 15.230 7.850 -4.239) 17.650 10.715 ( 2.873 19.995 5.161) 20.849 11.212 ( -8.458 -7.615 -9.165) 14.613 12.007 ( -1.294 8.627 -4.910) 10.010 12.804 ( -15.376 -11.202 7.244) 20.357 15.809 ( 6.456 -9.306 -0.984) 11.369 ======================= Grid point 414 (147/580) ======================= q-point: ( 0.61 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 2.975 -2.475 -4.858) 6.211 4.308 ( -7.661 19.524 0.891) 20.992 5.101 ( -3.128 13.615 -0.671) 13.986 6.021 ( 3.241 0.752 -12.135) 12.583 6.512 ( 1.874 -0.725 2.478) 3.190 6.806 ( 0.781 -5.453 11.151) 12.438 10.551 ( 14.033 5.767 -6.584) 16.539 10.839 ( -14.073 11.047 -1.931) 17.995 11.106 ( 7.991 1.600 2.743) 8.598 11.943 ( -9.191 1.718 -1.285) 9.438 12.581 ( -8.222 2.432 2.197) 8.851 15.827 ( 8.123 -12.209 -0.112) 14.665 ======================= Grid point 415 (148/580) ======================= q-point: (-0.33 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 0.265 -3.096 -4.966) 5.858 4.317 ( -12.621 16.766 0.640) 20.995 5.147 ( -7.301 13.601 1.089) 15.475 5.986 ( -0.194 -4.358 -12.626) 13.358 6.536 ( 1.402 -0.451 1.687) 2.239 6.795 ( -0.156 -6.712 11.635) 13.433 10.585 ( -17.539 -0.705 -3.425) 17.884 10.718 ( 1.914 1.684 -4.737) 5.379 11.376 ( 9.188 13.487 7.228) 17.849 11.867 ( 2.207 2.618 -2.749) 4.391 12.512 ( -6.542 5.308 -0.093) 8.425 15.846 ( 8.465 -12.279 0.421) 14.920 ======================= Grid point 416 (149/580) ======================= q-point: (-0.28 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( -3.133 -3.177 -4.223) 6.144 4.210 ( -17.208 12.682 -0.128) 21.377 5.123 ( -11.059 12.045 1.988) 16.473 5.855 ( -3.514 -7.351 -10.410) 13.219 6.545 ( -1.795 -2.242 1.970) 3.483 6.757 ( -0.134 -4.604 8.690) 9.835 10.242 ( -18.515 -3.864 -2.023) 19.021 10.625 ( -11.762 1.140 -0.989) 11.859 11.667 ( 3.887 16.640 4.070) 17.566 12.070 ( 18.566 2.899 -5.574) 19.600 12.451 ( -3.397 0.745 0.842) 3.578 15.887 ( 8.828 -9.355 1.160) 12.915 ======================= Grid point 417 (150/580) ======================= q-point: (-0.22 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -7.294 -2.665 -2.765) 8.243 3.982 ( -21.436 7.907 -0.901) 22.865 5.021 ( -13.244 8.118 1.407) 15.597 5.662 ( -8.087 -6.141 -6.803) 12.222 6.383 ( -13.010 -5.991 3.939) 14.855 6.811 ( 6.170 -0.402 3.322) 7.019 9.898 ( -16.579 -3.543 -0.837) 16.974 10.378 ( -18.208 1.567 0.212) 18.277 11.801 ( -5.893 11.973 -0.394) 13.351 12.401 ( 15.058 0.258 -18.562) 23.903 12.521 ( 15.844 0.566 15.673) 22.294 15.976 ( 9.517 -5.199 1.417) 10.937 ======================= Grid point 418 (151/580) ======================= q-point: (-0.17 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -11.911 -1.251 -0.675) 11.995 3.640 ( -25.043 3.613 -1.153) 25.329 4.850 ( -13.320 2.911 -0.207) 13.636 5.406 ( -16.042 -2.334 -2.993) 16.485 6.054 ( -19.860 -5.020 2.784) 20.673 6.944 ( 8.237 -0.009 1.126) 8.314 9.626 ( -12.399 -1.494 0.387) 12.494 10.061 ( -20.072 0.889 0.014) 20.092 11.741 ( -8.332 4.364 -1.082) 9.467 12.541 ( 11.164 -1.165 -13.698) 17.710 12.966 ( 24.664 2.918 11.290) 27.282 16.108 ( 9.759 -2.380 0.006) 10.045 ======================= Grid point 419 (152/580) ======================= q-point: (-0.11 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -16.316 1.443 2.027) 16.505 3.210 ( -27.689 0.943 -0.555) 27.710 4.638 ( -12.053 -1.030 -2.088) 12.276 5.029 ( -27.956 1.326 0.078) 27.988 5.675 ( -21.306 -1.005 1.523) 21.384 7.081 ( 7.755 -0.566 -0.255) 7.779 9.431 ( -12.429 0.353 1.853) 12.571 9.769 ( -12.469 0.371 -0.384) 12.480 11.645 ( -4.680 0.331 -0.714) 4.746 12.652 ( 7.692 -0.250 -13.596) 15.623 13.449 ( 24.676 1.943 11.768) 27.407 16.242 ( 8.925 -2.030 -3.299) 9.729 ======================= Grid point 420 (153/580) ======================= q-point: (-0.06 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -19.636 5.474 5.179) 21.032 2.737 ( -28.887 0.848 1.134) 28.922 4.395 ( -19.957 1.033 -4.958) 20.590 4.523 ( -28.811 2.538 2.979) 29.076 5.342 ( -20.581 4.001 1.386) 21.012 7.186 ( 5.957 -1.128 -1.201) 6.181 9.179 ( -18.064 1.558 1.801) 18.220 9.708 ( 3.821 0.065 1.179) 3.999 11.596 ( -0.346 -1.153 -0.627) 1.358 12.690 ( 1.653 0.884 -14.488) 14.609 13.904 ( 22.927 -0.323 12.386) 26.060 16.338 ( 7.510 -3.189 -7.412) 11.023 ======================= Grid point 426 (154/580) ======================= q-point: ( 0.28 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -0.000 14.714 8.862) 17.177 2.342 ( 0.000 24.123 2.315) 24.233 4.210 ( 0.000 36.626 -3.647) 36.807 4.351 ( 0.000 5.915 -0.678) 5.954 5.296 ( 0.000 27.694 4.088) 27.994 7.222 ( 0.000 -3.638 -1.422) 3.906 9.012 ( 0.000 17.684 1.205) 17.725 9.722 ( -0.000 -8.769 3.912) 9.602 11.580 ( -0.000 -3.948 -0.824) 4.033 12.228 ( 0.000 0.824 -25.128) 25.141 14.250 ( -0.000 -20.799 13.334) 24.706 16.330 ( 0.000 0.629 -10.759) 10.777 ======================= Grid point 427 (155/580) ======================= q-point: ( 0.33 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 3.346 12.116 6.336) 14.076 2.677 ( 11.214 22.025 1.544) 24.764 4.409 ( 0.851 10.947 -3.055) 11.397 4.594 ( 7.934 24.886 -3.619) 26.369 5.607 ( 2.169 28.146 4.888) 28.649 7.168 ( -1.653 -3.702 -1.147) 4.214 9.259 ( 7.330 18.481 2.313) 20.015 9.674 ( 0.098 -3.337 4.055) 5.253 11.535 ( -0.426 -2.530 -1.812) 3.141 12.126 ( -0.309 -4.465 -23.754) 24.172 14.073 ( -2.003 -21.634 14.365) 26.046 16.262 ( -4.418 0.255 -9.985) 10.922 ======================= Grid point 428 (156/580) ======================= q-point: ( 0.39 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 5.584 8.547 3.652) 10.843 3.125 ( 16.215 19.966 0.771) 25.733 4.544 ( 3.962 10.785 -4.045) 12.181 4.954 ( 10.910 18.132 -3.550) 21.458 5.928 ( 2.520 25.280 4.275) 25.762 7.091 ( -3.034 -3.190 -0.144) 4.405 9.584 ( 6.201 11.963 6.470) 14.948 9.729 ( 6.907 9.699 0.303) 11.911 11.525 ( 2.759 -0.707 -3.875) 4.810 11.969 ( -2.303 -7.552 -20.616) 22.076 13.856 ( -4.030 -22.669 14.671) 27.301 16.123 ( -8.076 -0.073 -8.901) 12.019 ======================= Grid point 429 (157/580) ======================= q-point: ( 0.44 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 6.376 4.868 0.939) 8.077 3.595 ( 16.103 18.964 0.386) 24.882 4.716 ( 4.764 12.072 -5.125) 13.953 5.288 ( 12.985 10.870 -2.292) 17.088 6.194 ( 1.361 19.180 2.690) 19.415 7.009 ( -3.831 -1.884 1.669) 4.584 9.716 ( 2.646 6.265 3.062) 7.459 10.101 ( 12.768 19.801 2.960) 23.746 11.593 ( 7.765 -1.196 -9.021) 11.963 11.777 ( -4.893 -4.368 -13.827) 15.304 13.588 ( -6.851 -23.363 13.563) 27.869 15.945 ( -8.633 -0.905 -6.776) 11.012 ======================= Grid point 430 (158/580) ======================= q-point: ( 0.50 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 6.056 1.758 -1.350) 6.449 4.026 ( 12.292 19.176 0.492) 22.783 4.896 ( 4.248 12.478 -5.611) 14.326 5.586 ( 13.221 5.993 -1.739) 14.620 6.359 ( -0.073 11.033 1.641) 11.155 6.938 ( -4.303 -0.647 3.559) 5.621 9.865 ( 6.394 8.337 -1.143) 10.569 10.489 ( 9.413 17.142 5.556) 20.330 11.511 ( -4.876 -6.693 -15.911) 17.936 11.826 ( 8.592 8.755 -4.455) 13.051 13.262 ( -10.199 -22.099 11.237) 26.808 15.783 ( -5.629 -3.467 -3.908) 7.680 ======================= Grid point 431 (159/580) ======================= q-point: ( 0.56 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 5.060 -0.372 -2.921) 5.854 4.375 ( 5.623 20.127 1.048) 20.924 5.061 ( 3.776 11.357 -5.100) 13.009 5.829 ( 10.077 4.462 -3.637) 11.605 6.431 ( 0.276 2.993 2.568) 3.954 6.870 ( -4.462 -1.248 4.869) 6.721 10.084 ( 10.696 8.727 -5.246) 14.767 10.786 ( 7.573 10.233 7.556) 14.804 11.312 ( -9.313 0.460 -10.601) 14.118 12.054 ( 6.350 11.615 -5.695) 14.410 12.915 ( -10.980 -16.821 8.418) 21.780 15.665 ( -0.772 -7.721 -1.510) 7.905 ======================= Grid point 432 (160/580) ======================= q-point: ( 0.61 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( 3.643 -1.453 -3.672) 5.372 4.603 ( -2.673 20.234 1.434) 20.460 5.212 ( 3.410 10.067 -3.230) 11.109 5.966 ( 2.754 4.145 -7.832) 9.279 6.463 ( 2.506 -2.671 3.981) 5.410 6.800 ( -2.815 -3.753 6.598) 8.096 10.345 ( 13.293 6.715 -8.184) 16.993 10.995 ( 6.274 -1.214 3.547) 7.309 11.152 ( -9.970 10.397 -0.321) 14.408 12.143 ( -7.256 8.612 -3.383) 11.759 12.691 ( -4.292 -4.089 3.354) 6.811 15.596 ( 4.064 -11.558 -0.272) 12.255 ======================= Grid point 433 (161/580) ======================= q-point: (-0.33 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 1.789 -1.664 -3.634) 4.379 4.683 ( -10.061 17.358 0.961) 20.086 5.347 ( 0.643 11.030 0.124) 11.050 5.940 ( -3.779 -0.618 -10.440) 11.120 6.496 ( 3.100 -2.591 2.108) 4.558 6.756 ( 0.224 -6.302 8.771) 10.803 10.579 ( 11.209 2.385 -7.655) 13.781 10.850 ( -15.138 0.403 -4.922) 15.923 11.326 ( 11.723 5.358 11.873) 17.525 12.032 ( -11.866 10.346 -2.088) 15.881 12.645 ( -4.130 2.569 -0.976) 4.961 15.579 ( 7.949 -12.245 0.175) 14.600 ======================= Grid point 434 (162/580) ======================= q-point: (-0.28 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -0.686 -1.217 -2.878) 3.199 4.610 ( -15.494 11.842 0.047) 19.501 5.428 ( -7.107 13.445 3.453) 15.595 5.791 ( -3.415 -7.330 -10.417) 13.187 6.527 ( 1.924 -1.028 -0.273) 2.199 6.731 ( 0.548 -6.476 8.449) 10.660 10.530 ( -19.052 -1.532 -2.225) 19.242 10.694 ( 1.912 0.157 -4.045) 4.477 11.660 ( 18.125 3.279 8.904) 20.459 11.996 ( -6.069 16.051 -4.421) 17.721 12.542 ( -7.809 -2.144 -1.195) 8.185 15.631 ( 10.390 -9.027 0.369) 13.768 ======================= Grid point 435 (163/580) ======================= q-point: (-0.22 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( -3.913 -0.195 -1.489) 4.191 4.396 ( -19.612 5.569 -0.680) 20.398 5.343 ( -15.437 6.676 0.736) 16.834 5.673 ( -1.226 -3.015 -4.652) 5.677 6.498 ( -4.701 -2.749 0.231) 5.450 6.729 ( 3.213 -3.003 4.590) 6.357 10.179 ( -19.503 -1.172 -0.823) 19.556 10.624 ( -9.269 0.065 -0.582) 9.287 12.018 ( 16.600 0.556 -1.495) 16.677 12.078 ( -3.222 16.039 -6.009) 17.428 12.396 ( 1.067 -7.431 6.319) 9.813 15.752 ( 11.216 -4.297 0.098) 12.011 ======================= Grid point 436 (164/580) ======================= q-point: (-0.17 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -7.731 1.490 0.405) 7.883 4.062 ( -22.636 0.368 -0.915) 22.657 5.097 ( -14.932 -1.541 -2.379) 15.199 5.606 ( -8.003 4.107 0.257) 8.999 6.313 ( -13.681 -2.306 0.379) 13.879 6.811 ( 7.036 -1.333 1.468) 7.310 9.866 ( -16.521 0.559 0.437) 16.536 10.392 ( -17.571 -0.133 0.215) 17.573 11.947 ( -11.995 -0.853 -1.443) 12.111 12.256 ( 13.842 1.232 -18.489) 23.129 12.648 ( 20.897 1.067 17.636) 27.365 15.912 ( 10.575 -1.084 -1.371) 10.718 ======================= Grid point 437 (165/580) ======================= q-point: (-0.11 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -11.637 3.995 2.593) 12.574 3.647 ( -24.651 -2.410 -0.480) 24.773 4.819 ( -13.091 -4.122 -3.065) 14.063 5.452 ( -17.570 6.649 1.186) 18.824 6.025 ( -18.812 1.237 0.036) 18.853 6.932 ( 8.276 -1.577 -0.017) 8.425 9.644 ( -12.148 2.386 2.015) 12.543 10.059 ( -19.914 -1.008 -0.136) 19.940 11.743 ( -8.102 -3.600 -0.834) 8.905 12.424 ( 12.157 0.760 -18.130) 21.842 13.101 ( 23.746 0.332 17.437) 29.463 16.062 ( 8.773 -0.546 -4.351) 9.807 ======================= Grid point 438 (166/580) ======================= q-point: (-0.06 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -15.006 7.276 4.675) 17.320 3.197 ( -25.535 -2.029 0.778) 25.628 4.568 ( -10.761 -3.323 -3.104) 11.682 5.134 ( -28.711 8.456 0.083) 29.930 5.735 ( -19.368 5.886 1.018) 20.268 7.048 ( 7.726 -2.156 -1.181) 8.108 9.481 ( -13.400 2.805 3.224) 14.065 9.767 ( -10.990 -0.196 0.282) 10.995 11.609 ( -3.666 -3.037 -0.630) 4.802 12.550 ( 8.903 0.409 -17.932) 20.025 13.554 ( 23.346 -1.958 17.635) 29.323 16.159 ( 6.686 -1.922 -8.267) 10.805 ======================= Grid point 445 (167/580) ======================= q-point: ( 0.33 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -0.000 10.315 3.755) 10.977 2.794 ( 0.000 20.619 1.860) 20.703 4.459 ( 0.000 5.546 -0.874) 5.615 4.769 ( 0.000 24.933 -6.859) 25.859 5.889 ( 0.000 28.649 4.686) 29.030 7.145 ( -0.000 -3.199 -0.490) 3.237 9.378 ( 0.000 18.177 1.958) 18.282 9.677 ( -0.000 1.065 5.165) 5.274 11.513 ( 0.000 -2.002 -1.380) 2.432 11.983 ( 0.000 -8.164 -23.788) 25.150 13.923 ( -0.000 -22.332 13.842) 26.274 16.275 ( 0.000 0.750 -8.682) 8.714 ======================= Grid point 446 (168/580) ======================= q-point: ( 0.39 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 2.316 7.443 1.839) 8.009 3.082 ( 10.362 18.353 1.324) 21.117 4.545 ( 4.073 6.318 -1.581) 7.682 4.996 ( 3.828 18.704 -6.112) 20.046 6.173 ( 0.199 25.307 3.345) 25.528 7.106 ( -1.598 -1.810 0.589) 2.485 9.628 ( 6.833 16.100 4.073) 17.958 9.737 ( 2.005 7.364 3.191) 8.272 11.484 ( -0.630 -1.351 -3.131) 3.468 11.825 ( 1.133 -9.573 -20.498) 22.651 13.730 ( -1.999 -23.009 13.042) 26.524 16.213 ( -5.029 0.800 -7.435) 9.012 ======================= Grid point 447 (169/580) ======================= q-point: ( 0.44 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 3.876 4.365 0.210) 5.841 3.485 ( 16.248 16.231 0.779) 22.979 4.706 ( 7.037 8.401 -2.963) 11.352 5.215 ( 6.653 11.676 -3.851) 13.980 6.392 ( -1.079 18.640 1.421) 18.725 7.066 ( -2.895 0.824 2.082) 3.660 9.784 ( -0.277 9.087 4.042) 9.949 10.054 ( 14.856 17.362 2.147) 22.951 11.441 ( 1.827 -5.246 -9.186) 10.735 11.723 ( 1.768 -3.482 -11.932) 12.555 13.494 ( -4.153 -23.326 11.701) 26.425 16.076 ( -8.935 0.357 -5.806) 10.662 ======================= Grid point 448 (170/580) ======================= q-point: ( 0.50 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 4.509 1.809 -1.134) 4.989 3.932 ( 17.776 14.953 0.657) 23.238 4.909 ( 6.682 11.023 -4.740) 13.735 5.426 ( 9.945 4.953 -1.027) 11.158 6.502 ( -2.919 10.390 0.246) 10.795 7.036 ( -4.474 3.375 3.076) 6.393 9.890 ( 1.150 10.368 -0.240) 10.434 10.473 ( 12.993 14.259 4.702) 19.856 11.394 ( 4.332 -5.815 -13.583) 15.397 11.758 ( 5.499 4.374 -4.654) 8.428 13.217 ( -6.423 -22.385 9.899) 25.305 15.890 ( -10.394 -1.137 -3.773) 11.116 ======================= Grid point 449 (171/580) ======================= q-point: ( 0.56 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 4.394 0.145 -1.979) 4.822 4.366 ( 15.751 14.743 1.108) 21.602 5.092 ( 3.557 11.601 -5.939) 13.509 5.649 ( 12.989 1.184 0.423) 13.050 6.510 ( -4.010 3.605 0.822) 5.455 6.986 ( -6.685 3.013 2.893) 7.883 10.029 ( 4.496 9.969 -4.545) 11.843 10.750 ( 7.101 3.884 6.466) 10.360 11.395 ( 0.144 5.211 -9.944) 11.228 11.963 ( 12.886 7.765 -4.429) 15.683 12.921 ( -7.708 -18.942 8.116) 22.002 15.688 ( -9.071 -4.071 -1.848) 10.113 ======================= Grid point 450 (172/580) ======================= q-point: ( 0.61 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 3.770 -0.577 -2.277) 4.442 4.743 ( 9.841 15.928 2.202) 18.852 5.210 ( 2.145 7.369 -5.697) 9.558 5.880 ( 11.462 2.793 -1.510) 11.894 6.455 ( -3.714 -2.050 2.666) 5.010 6.887 ( -7.669 0.153 2.581) 8.093 10.204 ( 8.211 7.689 -7.111) 13.308 10.883 ( 6.797 -1.801 5.443) 8.892 11.386 ( -7.507 8.087 -2.805) 11.385 12.244 ( 7.836 11.172 -5.738) 14.804 12.684 ( -3.549 -11.465 6.312) 13.561 15.504 ( -5.074 -7.518 -0.559) 9.087 ======================= Grid point 451 (173/580) ======================= q-point: ( 0.67 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 2.739 -0.496 -2.078) 3.474 4.978 ( -3.564 16.296 2.255) 16.833 5.309 ( 8.092 1.606 -3.524) 8.971 6.024 ( -1.262 7.090 -5.888) 9.302 6.393 ( 2.361 -7.370 4.589) 8.997 6.769 ( -5.252 -2.797 3.263) 6.786 10.399 ( 10.217 4.399 -6.316) 12.792 10.992 ( 2.456 2.367 -1.454) 3.708 11.287 ( -5.755 -1.244 6.244) 8.583 12.313 ( -7.820 9.752 -1.738) 12.620 12.668 ( 3.376 -0.294 0.432) 3.416 15.387 ( 1.365 -8.760 0.018) 8.866 ======================= Grid point 452 (174/580) ======================= q-point: (-0.28 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 1.226 0.211 -1.422) 1.889 4.949 ( -12.798 7.751 0.088) 14.962 5.490 ( 9.616 2.898 -0.038) 10.043 5.905 ( -14.599 3.535 -4.250) 15.611 6.442 ( 6.600 -3.347 0.246) 7.405 6.692 ( -1.093 -4.549 4.460) 6.464 10.577 ( 8.257 1.991 -2.660) 8.900 10.857 ( -17.672 3.141 -4.559) 18.519 11.376 ( 15.328 -4.959 6.401) 17.335 12.267 ( -7.656 9.981 0.627) 12.595 12.650 ( -6.145 -0.356 -1.717) 6.390 15.395 ( 7.989 -5.581 0.094) 9.746 ======================= Grid point 453 (175/580) ======================= q-point: (-0.22 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( -0.922 1.416 -0.333) 1.722 4.731 ( -16.703 -0.162 -0.719) 16.720 5.574 ( -5.030 -8.413 -7.048) 12.072 5.715 ( -7.043 12.337 6.563) 15.649 6.499 ( 2.013 -0.251 -3.137) 3.735 6.668 ( 1.545 -4.227 4.017) 6.032 10.518 ( -20.167 1.244 -0.236) 20.206 10.694 ( 0.692 1.992 -1.422) 2.544 11.641 ( 19.023 -4.723 -3.500) 19.910 12.267 ( -0.034 1.574 5.120) 5.356 12.464 ( -13.608 1.306 -1.417) 13.743 15.534 ( 11.164 -0.308 -0.276) 11.171 ======================= Grid point 454 (176/580) ======================= q-point: (-0.17 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( -3.730 3.058 1.095) 4.946 4.392 ( -19.371 -5.399 -0.955) 20.132 5.283 ( -13.345 -7.819 -4.511) 16.112 5.786 ( -4.398 10.384 5.437) 12.519 6.461 ( -5.541 0.353 -3.247) 6.432 6.697 ( 4.711 -2.454 1.685) 5.573 10.193 ( -19.673 2.760 0.355) 19.869 10.633 ( -10.269 0.767 0.477) 10.309 11.822 ( 12.077 -10.639 -13.121) 20.765 12.219 ( -4.075 -4.197 -0.322) 5.858 12.444 ( 7.840 6.048 11.590) 15.244 15.736 ( 10.561 3.294 -1.376) 11.148 ======================= Grid point 455 (177/580) ======================= q-point: (-0.11 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -6.924 5.126 2.629) 9.007 3.983 ( -20.853 -7.368 -0.717) 22.128 4.972 ( -12.762 -7.476 -3.303) 15.154 5.775 ( -10.712 9.747 3.556) 14.913 6.308 ( -12.496 2.677 -2.947) 13.115 6.781 ( 7.137 -2.248 0.562) 7.504 9.925 ( -16.372 4.611 1.636) 17.087 10.374 ( -18.550 -1.995 -0.041) 18.657 11.761 ( -0.144 -11.027 -4.596) 11.947 12.210 ( 5.652 2.243 -14.138) 15.390 12.771 ( 20.786 -2.006 17.164) 27.031 15.923 ( 7.763 4.069 -3.495) 9.436 ======================= Grid point 456 (178/580) ======================= q-point: (-0.06 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -10.026 7.540 3.836) 13.118 3.557 ( -21.318 -5.844 0.128) 22.105 4.696 ( -10.703 -5.561 -2.641) 12.347 5.627 ( -19.127 9.802 0.355) 21.495 6.098 ( -15.957 6.160 -1.079) 17.139 6.887 ( 7.900 -2.766 -0.191) 8.372 9.739 ( -12.778 5.229 3.223) 14.178 10.025 ( -18.509 -1.870 -0.296) 18.605 11.637 ( -3.543 -5.050 -0.971) 6.245 12.307 ( 10.681 -0.875 -18.400) 21.293 13.181 ( 24.162 -5.369 18.136) 30.684 16.042 ( 4.271 2.655 -6.519) 8.234 ======================= Grid point 464 (179/580) ======================= q-point: ( 0.39 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 0.000 5.436 0.191) 5.439 3.166 ( 0.000 16.243 1.510) 16.313 4.553 ( 0.000 4.616 -0.947) 4.712 5.119 ( 0.000 16.102 -6.111) 17.223 6.411 ( 0.000 20.967 1.601) 21.028 7.117 ( -0.000 0.944 1.587) 1.846 9.726 ( 0.000 15.486 2.280) 15.653 9.822 ( -0.000 9.626 5.170) 10.927 11.488 ( 0.000 0.597 -1.674) 1.777 11.627 ( 0.000 -12.092 -20.076) 23.436 13.563 ( -0.000 -23.131 11.299) 25.743 16.245 ( 0.000 1.261 -6.066) 6.196 ======================= Grid point 465 (180/580) ======================= q-point: ( 0.44 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 1.718 3.201 -0.603) 3.683 3.405 ( 10.038 13.748 1.111) 17.059 4.643 ( 5.890 4.759 -1.266) 7.677 5.253 ( 1.692 11.801 -4.539) 12.756 6.575 ( -1.146 13.476 -0.175) 13.526 7.140 ( -1.559 5.023 2.481) 5.815 9.914 ( 0.161 11.996 5.172) 13.065 9.990 ( 9.280 14.049 1.208) 16.881 11.368 ( -4.154 -8.382 -11.069) 14.493 11.587 ( 6.318 -1.514 -7.484) 9.910 13.357 ( -2.029 -22.703 9.422) 24.664 16.192 ( -5.491 1.205 -4.635) 7.286 ======================= Grid point 466 (181/580) ======================= q-point: ( 0.50 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 2.943 1.404 -0.899) 3.382 3.762 ( 16.696 11.418 0.745) 20.240 4.831 ( 10.363 6.202 -2.187) 12.274 5.372 ( 3.011 6.720 -2.088) 7.654 6.634 ( -2.799 6.393 -0.790) 7.024 7.170 ( -3.636 7.425 2.379) 8.603 10.019 ( -2.435 12.491 1.754) 12.846 10.360 ( 16.098 11.740 2.153) 20.040 11.221 ( 2.256 -7.883 -9.893) 12.849 11.680 ( 6.027 2.503 -4.273) 7.800 13.120 ( -3.934 -21.085 7.458) 22.709 16.055 ( -10.029 0.506 -3.089) 10.506 ======================= Grid point 467 (182/580) ======================= q-point: ( 0.56 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 3.530 0.341 -0.912) 3.662 4.177 ( 19.570 9.492 0.711) 21.762 5.078 ( 10.095 9.201 -4.001) 14.232 5.479 ( 6.262 0.748 1.027) 6.390 6.612 ( -4.244 2.169 -0.267) 4.774 7.158 ( -6.782 6.092 1.401) 9.224 10.097 ( -1.609 11.218 -2.474) 11.600 10.666 ( 8.570 1.746 4.194) 9.700 11.301 ( 13.146 4.841 -8.008) 16.136 11.807 ( 8.107 2.025 -2.054) 8.605 12.874 ( -5.164 -17.295 5.635) 18.908 15.851 ( -12.679 -0.970 -1.659) 12.824 ======================= Grid point 468 (183/580) ======================= q-point: ( 0.61 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 3.561 0.004 -0.733) 3.636 4.598 ( 19.494 7.774 1.059) 21.013 5.267 ( 1.329 10.020 -4.822) 11.199 5.644 ( 14.554 -2.551 2.382) 14.967 6.537 ( -5.659 -0.429 0.666) 5.715 7.063 ( -9.895 2.863 0.333) 10.306 10.179 ( 1.670 8.339 -4.341) 9.548 10.768 ( 5.776 -3.516 4.528) 8.138 11.533 ( 0.868 11.045 -4.268) 11.873 12.033 ( 19.492 0.781 -2.316) 19.645 12.668 ( -4.590 -10.348 4.395) 12.144 15.610 ( -12.667 -2.778 -0.643) 12.984 ======================= Grid point 469 (184/580) ======================= q-point: ( 0.67 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 3.199 0.281 -0.428) 3.240 4.984 ( 17.645 5.652 1.511) 18.590 5.285 ( -5.276 4.390 -2.385) 7.266 5.914 ( 16.444 1.106 -0.641) 16.494 6.414 ( -7.743 -2.803 1.809) 8.431 6.898 ( -10.444 -0.129 -0.273) 10.448 10.295 ( 5.690 5.488 -2.660) 8.341 10.872 ( 8.736 -2.176 2.391) 9.315 11.480 ( -11.856 2.259 -0.356) 12.075 12.378 ( 13.439 5.732 -5.299) 15.542 12.568 ( 0.884 -4.595 5.048) 6.883 15.391 ( -8.623 -3.215 -0.125) 9.203 ======================= Grid point 470 (185/580) ======================= q-point: (-0.28 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 2.502 1.060 0.017) 2.717 5.166 ( -7.117 -4.453 -2.098) 8.653 5.306 ( 11.970 5.601 2.723) 13.493 6.155 ( -0.270 9.204 -4.578) 10.283 6.255 ( 1.608 -9.125 4.162) 10.157 6.736 ( -6.830 -1.585 -0.224) 7.015 10.458 ( 8.208 4.036 0.525) 9.162 11.032 ( 9.780 1.216 -3.143) 10.344 11.237 ( -13.935 -4.360 2.899) 14.886 12.421 ( -5.207 0.380 -0.665) 5.263 12.671 ( 5.268 0.263 0.385) 5.288 15.294 ( -0.018 -0.034 -0.000) 0.038 ======================= Grid point 471 (186/580) ======================= q-point: (-0.22 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 1.364 2.237 0.653) 2.700 4.933 ( -11.975 -8.606 -1.126) 14.790 5.485 ( 4.589 -2.793 -0.740) 5.423 6.008 ( -11.924 5.216 5.485) 14.123 6.397 ( 8.914 0.795 -4.116) 9.851 6.644 ( -2.151 -1.959 -0.022) 2.910 10.638 ( 6.963 4.013 3.013) 8.583 10.893 ( -20.077 2.473 -1.665) 20.297 11.271 ( 16.843 -6.460 -2.858) 18.265 12.279 ( -6.240 -9.127 1.474) 11.154 12.669 ( -5.800 2.077 0.229) 6.165 15.392 ( 7.814 5.367 -0.192) 9.481 ======================= Grid point 472 (187/580) ======================= q-point: (-0.17 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -0.374 3.688 1.463) 3.985 4.597 ( -15.129 -11.985 -1.038) 19.328 5.362 ( -8.266 -10.108 -3.206) 13.446 5.990 ( -4.284 10.201 8.514) 13.961 6.489 ( 1.938 2.230 -5.624) 6.353 6.621 ( 1.673 -1.917 -0.080) 2.546 10.571 ( -20.546 3.652 0.719) 20.880 10.753 ( -0.885 3.290 2.482) 4.215 11.451 ( 14.575 -9.627 -10.325) 20.290 12.107 ( 0.899 -13.273 5.234) 14.296 12.571 ( -7.387 2.362 1.709) 7.941 15.619 ( 9.765 8.889 -0.723) 13.225 ======================= Grid point 473 (188/580) ======================= q-point: (-0.11 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( -2.705 5.272 2.281) 6.349 4.200 ( -16.698 -12.503 -0.900) 20.879 5.078 ( -11.118 -10.183 -2.446) 15.273 6.032 ( -6.446 9.928 5.622) 13.104 6.470 ( -4.829 3.232 -5.266) 7.842 6.659 ( 4.800 -1.936 0.462) 5.197 10.283 ( -18.895 5.332 1.557) 19.695 10.636 ( -14.286 -1.884 0.409) 14.416 11.516 ( 10.799 -9.939 -9.662) 17.572 12.113 ( 5.943 -5.592 -1.181) 8.245 12.541 ( 5.508 -3.875 8.344) 10.722 15.855 ( 7.296 9.446 -1.779) 12.067 ======================= Grid point 474 (189/580) ======================= q-point: (-0.06 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( -5.350 6.821 2.750) 9.094 3.802 ( -16.807 -9.661 -0.379) 19.390 4.800 ( -10.024 -7.781 -1.902) 12.832 5.983 ( -12.035 9.330 0.913) 15.255 6.367 ( -9.909 5.225 -3.468) 11.727 6.739 ( 6.483 -2.497 1.516) 7.111 10.049 ( -15.934 5.255 2.837) 17.016 10.313 ( -18.265 -2.790 -0.952) 18.502 11.574 ( 5.612 -3.886 -4.034) 7.929 12.111 ( 3.149 -2.924 -12.771) 13.475 12.762 ( 21.984 -10.075 14.498) 28.195 16.019 ( 2.922 7.759 -3.456) 8.983 ======================= Grid point 483 (190/580) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 0.000 1.839 -0.781) 1.998 3.443 ( 0.000 11.144 1.063) 11.195 4.624 ( 0.000 3.326 -0.846) 3.432 5.333 ( 0.000 9.618 -3.520) 10.241 6.683 ( 0.000 7.224 -1.134) 7.312 7.229 ( 0.000 8.402 2.163) 8.676 9.995 ( 0.000 10.391 1.851) 10.555 10.098 ( -0.000 14.719 4.390) 15.360 11.272 ( 0.000 -11.888 -14.115) 18.454 11.511 ( 0.000 2.584 -1.351) 2.916 13.187 ( -0.000 -21.278 7.096) 22.430 16.240 ( 0.000 1.451 -3.418) 3.713 ======================= Grid point 484 (191/580) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 1.453 0.814 -0.257) 1.686 3.629 ( 10.034 8.436 0.726) 13.129 4.713 ( 7.161 3.083 -0.944) 7.853 5.408 ( 0.419 6.546 -1.715) 6.780 6.714 ( -1.619 3.217 -1.211) 3.799 7.304 ( -1.973 8.394 1.154) 8.699 10.168 ( 5.562 9.016 3.316) 11.100 10.258 ( 3.055 13.832 0.953) 14.197 11.099 ( -1.103 -9.992 -8.779) 13.347 11.589 ( 5.646 2.696 -1.931) 6.548 12.995 ( -1.880 -18.522 4.825) 19.233 16.194 ( -5.921 1.168 -2.192) 6.421 ======================= Grid point 485 (192/580) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 2.522 0.323 0.462) 2.585 3.935 ( 17.189 5.804 0.482) 18.149 4.916 ( 13.182 3.614 -1.435) 13.743 5.460 ( 0.317 3.105 0.458) 3.155 6.690 ( -3.244 1.187 -0.869) 3.562 7.320 ( -4.814 5.796 -0.041) 7.535 10.271 ( -4.971 11.825 0.691) 12.846 10.513 ( 12.346 2.311 0.771) 12.584 11.068 ( 10.830 -2.218 -4.151) 11.809 11.711 ( 5.857 1.929 -1.062) 6.257 12.804 ( -3.155 -13.872 2.740) 14.488 16.051 ( -11.052 0.486 -1.103) 11.118 ======================= Grid point 486 (193/580) ======================= q-point: ( 0.61 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 3.086 0.278 1.007) 3.258 4.305 ( 20.625 3.082 0.448) 20.859 5.203 ( 15.648 5.526 -2.764) 16.824 5.482 ( 0.900 -1.455 3.143) 3.579 6.625 ( -4.787 0.074 -0.412) 4.806 7.247 ( -8.359 2.360 -1.202) 8.768 10.277 ( -4.604 7.832 -0.797) 9.120 10.644 ( 6.100 -4.280 2.366) 7.818 11.422 ( 24.420 8.866 -3.704) 26.242 11.787 ( 3.409 -3.244 0.967) 4.804 12.654 ( -2.880 -7.132 1.200) 7.784 15.832 ( -14.367 -0.184 -0.343) 14.372 ======================= Grid point 487 (194/580) ======================= q-point: (-0.33 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 3.269 0.589 1.272) 3.556 4.673 ( 20.652 -0.523 0.307) 20.661 5.407 ( -2.727 5.210 0.005) 5.880 5.589 ( 18.904 -3.682 1.407) 19.310 6.528 ( -6.507 -0.399 0.048) 6.520 7.082 ( -11.135 -0.449 -2.145) 11.349 10.294 ( 0.236 3.901 2.124) 4.448 10.714 ( 6.689 -3.358 0.310) 7.491 11.678 ( -7.933 2.978 -0.593) 8.495 11.995 ( 28.897 0.014 -1.373) 28.930 12.575 ( -2.151 -2.164 0.898) 3.181 15.582 ( -14.356 0.291 0.033) 14.359 ======================= Grid point 488 (195/580) ======================= q-point: (-0.28 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 3.227 1.248 1.353) 3.716 4.952 ( 14.830 -7.770 -1.242) 16.788 5.366 ( -3.715 1.306 5.140) 6.475 5.903 ( 18.771 -1.124 -1.949) 18.905 6.398 ( -8.811 0.576 0.506) 8.845 6.873 ( -10.667 -1.348 -2.674) 11.079 10.385 ( 5.606 1.788 5.835) 8.286 10.814 ( 9.429 -3.214 -2.937) 10.386 11.490 ( -13.799 -0.711 0.514) 13.827 12.426 ( 16.306 4.171 -4.865) 17.520 12.511 ( -0.824 -5.900 3.779) 7.055 15.393 ( -8.824 3.545 0.142) 9.510 ======================= Grid point 489 (196/580) ======================= q-point: (-0.22 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 2.942 2.240 1.415) 3.959 4.933 ( -1.952 -15.225 -1.627) 15.436 5.399 ( 3.310 -1.769 4.648) 5.974 6.125 ( 7.481 -5.191 1.965) 9.315 6.301 ( -2.243 7.436 -2.278) 8.094 6.705 ( -6.711 -0.482 -3.025) 7.377 10.549 ( 9.047 0.879 7.867) 12.021 10.946 ( 12.267 -4.849 -5.446) 14.270 11.230 ( -16.979 1.202 0.476) 17.028 12.327 ( -9.274 -7.895 -0.625) 12.196 12.663 ( 6.712 -1.754 0.109) 6.938 15.387 ( 1.039 8.933 0.089) 8.994 ======================= Grid point 490 (197/580) ======================= q-point: (-0.17 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 2.202 3.449 1.532) 4.370 4.661 ( -9.655 -17.098 -0.821) 19.653 5.355 ( -3.474 -10.250 0.513) 10.835 6.145 ( -0.862 3.197 8.501) 9.123 6.421 ( 5.899 4.335 -5.181) 8.968 6.616 ( -2.590 0.470 -3.725) 4.561 10.731 ( 7.515 -0.159 6.091) 9.674 10.944 ( -18.008 2.735 4.473) 18.756 11.093 ( 12.917 -6.820 -10.089) 17.752 12.061 ( -8.878 -10.928 0.696) 14.097 12.658 ( -2.977 -3.859 0.354) 4.887 15.576 ( 7.545 12.460 -0.101) 14.567 ======================= Grid point 491 (198/580) ======================= q-point: (-0.11 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 0.793 4.648 1.624) 4.987 4.301 ( -12.457 -16.544 -0.647) 20.719 5.129 ( -8.485 -12.203 -0.833) 14.886 6.211 ( -1.745 6.601 7.006) 9.783 6.499 ( 1.715 1.536 -3.320) 4.040 6.600 ( 1.046 1.410 -3.576) 3.984 10.645 ( -17.781 1.685 1.588) 17.931 10.790 ( -4.974 -4.664 2.789) 7.368 11.215 ( 11.882 -2.913 -7.755) 14.485 11.922 ( 4.195 -7.684 2.339) 9.062 12.527 ( -5.230 -7.336 1.226) 9.092 15.836 ( 7.659 12.661 -0.487) 14.805 ======================= Grid point 492 (199/580) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -1.288 5.517 1.447) 5.848 3.938 ( -12.616 -12.799 -0.409) 17.976 4.867 ( -8.631 -9.837 -0.966) 13.122 6.224 ( -6.534 7.153 0.430) 9.697 6.499 ( -2.357 2.142 -3.142) 4.474 6.645 ( 3.375 0.128 2.045) 3.948 10.350 ( -15.970 -4.127 2.647) 16.706 10.583 ( -14.700 1.310 -1.623) 14.847 11.392 ( 10.764 2.842 -5.448) 12.395 11.989 ( 6.249 -5.307 -3.703) 8.996 12.420 ( 6.451 -12.984 7.062) 16.126 16.049 ( 3.886 10.496 -1.185) 11.255 ======================= Grid point 502 (200/580) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -0.000 0.398 0.918) 1.001 3.612 ( 0.000 5.557 0.492) 5.578 4.670 ( 0.000 1.840 -0.602) 1.936 5.458 ( 0.000 4.716 -0.268) 4.724 6.746 ( 0.000 1.579 -1.292) 2.040 7.397 ( 0.000 6.514 -0.142) 6.515 10.151 ( 0.000 4.713 0.716) 4.767 10.429 ( 0.000 15.703 3.823) 16.162 10.981 ( 0.000 -10.545 -6.971) 12.641 11.558 ( 0.000 2.482 -0.388) 2.512 12.861 ( -0.000 -14.319 2.260) 14.496 16.251 ( 0.000 1.133 -1.247) 1.685 ======================= Grid point 503 (201/580) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 1.316 0.270 2.178) 2.559 3.741 ( 10.139 2.700 0.223) 10.494 4.750 ( 7.886 1.266 -0.568) 8.007 5.494 ( -0.248 2.464 1.508) 2.899 6.738 ( -1.760 0.724 -1.216) 2.258 7.424 ( -2.337 3.234 -1.326) 4.205 10.284 ( 10.626 2.020 0.471) 10.826 10.528 ( -6.049 10.406 1.328) 12.110 10.895 ( 4.001 -5.858 -1.350) 7.221 11.630 ( 5.327 1.652 0.110) 5.579 12.738 ( -1.620 -8.460 -0.093) 8.614 16.204 ( -6.226 0.767 -0.402) 6.286 ======================= Grid point 504 (202/580) ======================= q-point: (-0.39 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 2.280 0.277 2.923) 3.717 3.992 ( 17.436 -0.197 0.155) 17.438 4.950 ( 14.604 0.643 -0.685) 14.634 5.505 ( -1.045 0.311 3.217) 3.397 6.694 ( -3.441 0.223 -1.045) 3.603 7.368 ( -5.277 -0.352 -2.486) 5.844 10.446 ( -6.663 -1.690 1.130) 6.967 10.486 ( 8.762 1.531 0.526) 8.910 11.065 ( 17.958 2.218 0.864) 18.115 11.734 ( 4.395 0.676 1.158) 4.595 12.650 ( -2.340 -1.751 -1.920) 3.497 16.058 ( -11.542 0.495 0.190) 11.554 ======================= Grid point 505 (203/580) ======================= q-point: (-0.33 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 2.937 0.357 2.959) 4.184 4.302 ( 20.542 -3.520 0.258) 20.843 5.233 ( 18.741 -1.704 -0.317) 18.821 5.487 ( -2.186 -0.317 4.006) 4.575 6.621 ( -4.915 -0.012 -0.799) 4.979 7.223 ( -8.334 -3.174 -3.545) 9.596 10.336 ( -2.454 -5.371 4.805) 7.613 10.604 ( 4.437 1.424 -1.517) 4.900 11.481 ( 26.854 -2.919 2.158) 27.098 11.786 ( 0.328 4.035 0.641) 4.099 12.610 ( -2.565 2.985 -2.849) 4.859 15.841 ( -14.515 1.090 0.492) 14.564 ======================= Grid point 506 (204/580) ======================= q-point: (-0.28 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 3.481 0.649 2.498) 4.334 4.586 ( 18.550 -8.310 0.072) 20.327 5.394 ( 1.663 -9.075 7.654) 11.988 5.589 ( 15.176 4.097 -3.172) 16.036 6.525 ( -6.108 0.013 -0.407) 6.121 7.016 ( -9.834 -3.868 -4.192) 11.369 10.305 ( 4.046 -7.744 7.682) 11.634 10.678 ( 4.195 1.646 -3.992) 6.020 11.626 ( -2.866 -6.350 5.041) 8.600 12.063 ( 22.997 4.147 -0.410) 23.371 12.575 ( -5.132 4.059 -4.044) 7.692 15.623 ( -13.033 3.660 0.633) 13.552 ======================= Grid point 507 (205/580) ======================= q-point: (-0.22 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 3.955 1.291 1.869) 4.560 4.714 ( 8.806 -15.255 -0.467) 17.620 5.347 ( 0.871 -8.020 7.465) 10.992 5.874 ( 15.576 0.150 -2.602) 15.792 6.425 ( -5.488 1.057 0.244) 5.594 6.815 ( -8.293 -1.757 -4.399) 9.550 10.371 ( 10.178 -9.568 8.555) 16.380 10.759 ( 5.952 0.931 -5.910) 8.439 11.476 ( -11.242 -1.911 5.642) 12.722 12.358 ( 6.068 -11.392 5.036) 13.855 12.524 ( 0.441 10.033 -9.006) 13.489 15.517 ( -5.700 8.273 0.712) 10.072 ======================= Grid point 508 (206/580) ======================= q-point: (-0.17 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 4.132 2.238 1.270) 4.868 4.584 ( -2.591 -19.419 -0.142) 19.592 5.290 ( -0.462 -11.445 3.957) 12.119 6.081 ( 10.125 -1.225 1.351) 10.288 6.402 ( 0.648 3.459 0.057) 3.520 6.681 ( -5.443 0.939 -4.835) 7.341 10.507 ( 13.947 -10.710 6.705) 18.820 10.851 ( 7.695 -2.375 -7.276) 10.853 11.264 ( -15.247 0.895 7.995) 17.239 12.174 ( -11.448 -6.039 -0.830) 12.970 12.620 ( 2.025 -0.657 -3.201) 3.845 15.605 ( 3.394 12.121 0.629) 12.603 ======================= Grid point 509 (207/580) ======================= q-point: (-0.11 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 3.646 3.229 0.697) 4.920 4.297 ( -7.871 -19.147 0.029) 20.702 5.120 ( -5.280 -13.585 1.006) 14.610 6.227 ( 6.640 0.449 4.532) 8.052 6.474 ( 2.537 2.327 0.198) 3.448 6.614 ( -2.187 2.615 -5.462) 6.438 10.645 ( 11.572 -11.444 1.744) 16.368 10.819 ( -4.092 -12.272 -2.845) 13.245 11.144 ( -3.391 9.770 5.932) 11.922 11.942 ( -10.004 -0.477 -1.393) 10.112 12.541 ( -5.212 -6.814 -1.620) 8.730 15.832 ( 7.527 12.677 0.378) 14.748 ======================= Grid point 510 (208/580) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 2.203 3.817 -0.000) 4.407 3.981 ( -8.791 -15.226 -0.000) 17.581 4.891 ( -6.614 -11.455 0.000) 13.227 6.326 ( 1.458 2.526 -0.000) 2.917 6.501 ( 0.059 0.102 -0.000) 0.117 6.632 ( 1.609 2.788 0.000) 3.219 10.476 ( -9.638 -16.693 0.000) 19.275 10.741 ( -0.182 -0.316 0.000) 0.365 11.299 ( 6.038 10.458 -0.000) 12.075 11.852 ( 0.003 0.005 0.000) 0.006 12.334 ( -6.849 -11.863 -0.000) 13.698 16.068 ( 6.022 10.431 -0.000) 12.045 ======================= Grid point 522 (209/580) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -0.000 0.218 3.846) 3.852 3.665 ( 0.000 -0.247 -0.079) 0.259 4.687 ( 0.000 0.259 -0.307) 0.402 5.520 ( -0.000 0.700 3.139) 3.216 6.754 ( 0.000 0.395 -1.380) 1.436 7.452 ( 0.000 -0.305 -2.472) 2.490 10.192 ( 0.000 -0.486 -0.651) 0.812 10.637 ( 0.000 -5.395 -1.833) 5.698 10.859 ( -0.000 7.914 6.165) 10.032 11.589 ( -0.000 0.334 0.783) 0.851 12.698 ( 0.000 -1.601 -2.707) 3.146 16.264 ( -0.000 0.565 0.266) 0.624 ======================= Grid point 523 (210/580) ======================= q-point: (-0.39 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 1.142 -0.017 4.750) 4.885 3.737 ( 10.236 -3.137 -0.181) 10.707 4.754 ( 7.997 -0.619 -0.208) 8.023 5.527 ( -0.427 -1.248 4.747) 4.927 6.736 ( -1.789 0.047 -1.380) 2.260 7.400 ( -2.372 -3.940 -3.645) 5.868 10.262 ( 9.372 -3.945 -1.559) 10.287 10.510 ( -1.582 -10.877 -0.075) 10.991 10.993 ( 0.310 11.736 7.687) 14.033 11.649 ( 5.897 -0.330 1.953) 6.221 12.689 ( -1.580 5.188 -4.877) 7.294 16.217 ( -6.280 0.402 0.755) 6.338 ======================= Grid point 524 (211/580) ======================= q-point: (-0.33 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 2.126 -0.489 4.485) 4.987 3.931 ( 17.371 -6.110 0.103) 18.415 4.931 ( 14.104 -2.342 0.043) 14.298 5.514 ( -0.826 -2.652 5.727) 6.365 6.686 ( -3.363 -0.492 -1.214) 3.609 7.272 ( -4.838 -6.646 -4.802) 9.521 10.265 ( 0.526 -12.641 0.043) 12.652 10.509 ( 9.262 -4.478 0.534) 10.301 11.182 ( 9.016 7.946 6.811) 13.814 11.761 ( 5.456 0.392 3.745) 6.629 12.708 ( -3.023 10.198 -6.563) 12.498 16.074 ( -11.238 0.825 1.044) 11.316 ======================= Grid point 525 (212/580) ======================= q-point: (-0.28 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 3.220 -0.862 3.360) 4.733 4.175 ( 19.469 -9.697 0.540) 21.757 5.147 ( 14.480 -7.198 2.137) 16.311 5.507 ( 1.724 -1.133 4.134) 4.620 6.605 ( -4.513 -1.768 -0.888) 4.927 7.087 ( -6.640 -6.818 -5.503) 10.993 10.156 ( 2.547 -13.701 2.911) 14.237 10.603 ( 6.215 -3.736 -1.693) 7.446 11.477 ( 13.907 1.775 9.154) 16.744 11.867 ( 5.995 1.160 3.551) 7.063 12.728 ( -5.323 12.891 -8.401) 16.281 15.882 ( -13.056 2.522 1.294) 13.360 ======================= Grid point 526 (213/580) ======================= q-point: (-0.22 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 4.467 -0.765 1.956) 4.937 4.362 ( 15.118 -14.658 0.685) 21.068 5.226 ( 5.080 -12.453 6.774) 15.059 5.635 ( 11.947 1.188 -0.825) 12.034 6.497 ( -4.410 -3.894 -0.332) 5.892 6.902 ( -6.684 -3.322 -5.293) 9.151 10.119 ( 7.615 -13.563 3.753) 16.001 10.646 ( 5.479 -5.212 -3.282) 8.243 11.625 ( -3.227 1.995 12.695) 13.250 12.051 ( 15.093 -6.431 3.630) 16.803 12.719 ( -7.976 15.714 -11.413) 20.995 15.725 ( -9.814 5.746 1.663) 11.493 ======================= Grid point 527 (214/580) ======================= q-point: (-0.17 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 5.585 -0.112 0.660) 5.625 4.371 ( 5.316 -19.569 0.698) 20.290 5.176 ( 1.651 -13.295 5.779) 14.590 5.860 ( 13.735 -0.978 -1.139) 13.816 6.409 ( -0.468 -3.777 0.940) 3.920 6.769 ( -5.719 0.904 -4.714) 7.466 10.172 ( 12.458 -12.990 2.803) 18.215 10.668 ( 6.487 -9.026 -3.634) 11.694 11.552 ( -12.507 3.735 12.877) 18.335 12.160 ( 5.260 -10.936 4.433) 12.920 12.703 ( -7.561 15.243 -12.205) 20.940 15.701 ( -1.997 9.150 1.912) 9.558 ======================= Grid point 528 (215/580) ======================= q-point: (-0.11 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 6.078 0.853 -0.444) 6.154 4.191 ( -2.323 -20.638 0.688) 20.780 5.052 ( -2.079 -14.259 2.706) 14.662 6.060 ( 12.051 -2.236 0.521) 12.268 6.427 ( 4.516 -1.930 2.511) 5.516 6.686 ( -4.734 3.029 -4.473) 7.183 10.291 ( 14.867 -12.396 0.127) 19.357 10.644 ( 4.956 -15.077 -1.536) 15.944 11.414 ( -12.391 6.654 10.291) 17.427 12.091 ( -4.832 -3.352 3.043) 6.622 12.632 ( -10.377 6.912 -9.177) 15.481 15.837 ( 5.165 10.351 1.706) 11.693 ======================= Grid point 541 (216/580) ======================= q-point: (-0.39 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -0.000 -0.735 5.900) 5.946 3.602 ( -0.000 -6.017 -0.462) 6.035 4.676 ( -0.000 -1.360 -0.072) 1.362 5.527 ( -0.000 -3.455 6.381) 7.257 6.744 ( 0.000 -0.600 -1.474) 1.591 7.350 ( 0.000 -7.328 -4.821) 8.771 10.125 ( 0.000 -5.529 -1.731) 5.794 10.373 ( -0.000 -16.162 -1.194) 16.206 11.191 ( -0.000 15.497 12.903) 20.165 11.580 ( -0.000 -1.958 1.673) 2.576 12.764 ( 0.000 11.240 -7.243) 13.372 16.277 ( -0.000 0.273 1.189) 1.220 ======================= Grid point 542 (217/580) ======================= q-point: (-0.33 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 0.942 -1.969 5.617) 6.026 3.618 ( 10.385 -8.779 -0.248) 13.601 4.723 ( 7.522 -2.484 0.050) 7.922 5.504 ( -0.156 -5.670 7.521) 9.420 6.712 ( -1.664 -2.397 -1.424) 3.247 7.232 ( -2.018 -9.017 -5.890) 10.958 10.103 ( 3.660 -10.883 -2.691) 11.793 10.250 ( 6.899 -14.231 0.266) 15.817 11.318 ( -5.039 12.843 11.566) 18.003 11.662 ( 7.918 0.476 5.681) 9.757 12.852 ( -1.931 15.426 -9.174) 18.052 16.233 ( -6.022 0.558 1.467) 6.223 ======================= Grid point 543 (218/580) ======================= q-point: (-0.28 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 2.311 -3.281 3.922) 5.612 3.759 ( 17.119 -11.588 0.519) 20.679 4.862 ( 12.128 -4.969 0.677) 13.124 5.469 ( 0.780 -6.821 7.321) 10.036 6.626 ( -2.819 -6.679 -1.588) 7.421 7.082 ( -3.633 -6.810 -6.113) 9.846 9.989 ( 1.113 -14.482 -1.070) 14.564 10.327 ( 13.995 -12.934 -0.924) 19.079 11.430 ( 2.902 9.168 9.365) 13.423 11.820 ( 4.420 2.601 10.115) 11.341 12.930 ( -4.203 17.821 -11.117) 21.421 16.107 ( -10.217 1.670 1.805) 10.509 ======================= Grid point 544 (219/580) ======================= q-point: (-0.22 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 4.330 -3.937 1.746) 6.107 3.938 ( 17.835 -15.060 1.177) 23.373 4.996 ( 10.059 -9.947 3.269) 14.520 5.478 ( 6.049 -5.173 4.157) 8.980 6.479 ( -2.566 -11.937 -2.017) 12.375 6.952 ( -4.626 -1.324 -4.913) 6.877 9.892 ( 4.212 -13.414 -0.062) 14.060 10.403 ( 10.962 -14.378 -2.109) 18.203 11.661 ( 10.512 5.859 10.607) 16.042 11.902 ( -1.361 0.734 10.913) 11.022 12.978 ( -6.769 19.466 -13.460) 24.616 15.957 ( -10.805 3.780 2.507) 11.719 ======================= Grid point 545 (220/580) ======================= q-point: (-0.17 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 6.515 -3.637 -0.194) 7.463 4.036 ( 12.100 -19.193 1.276) 22.725 5.012 ( 4.376 -13.506 5.445) 15.205 5.608 ( 12.808 -4.220 0.356) 13.490 6.329 ( 0.889 -12.592 -1.188) 12.679 6.863 ( -5.206 2.635 -3.455) 6.781 9.876 ( 8.470 -11.898 -0.160) 14.606 10.411 ( 8.641 -15.770 -2.129) 18.108 11.847 ( -10.575 3.688 14.231) 18.110 11.925 ( 12.173 -3.225 7.624) 14.721 12.989 ( -9.288 20.340 -15.407) 27.154 15.861 ( -6.759 6.205 3.457) 9.806 ======================= Grid point 546 (221/580) ======================= q-point: (-0.11 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 8.168 -2.571 -1.673) 8.725 3.974 ( 4.200 -21.445 0.965) 21.874 4.935 ( 0.718 -14.161 3.875) 14.699 5.796 ( 14.605 -5.504 -0.403) 15.613 6.287 ( 6.753 -8.967 1.094) 11.278 6.797 ( -5.567 4.219 -2.499) 7.419 9.941 ( 12.319 -10.803 -1.281) 16.435 10.377 ( 7.190 -17.676 -0.772) 19.098 11.699 ( -11.064 -0.474 7.822) 13.558 12.077 ( 2.727 0.387 11.800) 12.117 12.938 ( -13.527 18.039 -15.484) 27.352 15.885 ( 0.181 7.464 3.910) 8.428 ======================= Grid point 560 (222/580) ======================= q-point: (-0.33 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -0.000 -4.021 5.833) 7.085 3.426 ( -0.000 -11.541 -0.513) 11.553 4.633 ( -0.000 -2.945 0.010) 2.945 5.461 ( -0.000 -8.905 8.753) 12.487 6.675 ( -0.000 -7.637 -1.988) 7.891 7.143 ( 0.000 -7.530 -6.237) 9.777 9.953 ( -0.000 -10.740 -2.151) 10.953 10.041 ( -0.000 -16.313 -1.025) 16.345 11.546 ( -0.000 -2.479 1.942) 3.149 11.614 ( -0.000 16.606 18.934) 25.185 13.002 ( 0.000 18.478 -11.019) 21.515 16.295 ( -0.000 0.683 1.696) 1.828 ======================= Grid point 561 (223/580) ======================= q-point: (-0.28 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 0.885 -6.349 4.252) 7.693 3.394 ( 10.742 -14.030 0.111) 17.671 4.658 ( 6.585 -4.211 0.149) 7.817 5.394 ( 0.675 -11.771 8.903) 14.775 6.542 ( -0.970 -15.770 -3.461) 16.174 7.061 ( -1.684 -1.948 -5.024) 5.646 9.833 ( 0.379 -13.567 -2.718) 13.841 9.973 ( 9.862 -14.488 -0.335) 17.529 11.510 ( -1.334 1.154 3.791) 4.181 11.876 ( 2.886 12.800 19.207) 23.261 13.131 ( -2.304 20.090 -12.662) 23.858 16.263 ( -5.457 1.427 1.971) 5.975 ======================= Grid point 562 (224/580) ======================= q-point: (-0.22 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 3.232 -7.962 1.492) 8.722 3.490 ( 16.858 -16.502 1.170) 23.619 4.749 ( 9.438 -7.090 1.167) 11.862 5.331 ( 3.666 -12.907 7.153) 15.205 6.331 ( -0.413 -20.850 -4.505) 21.335 7.011 ( -3.224 2.555 -3.196) 5.209 9.715 ( 1.883 -11.822 -2.490) 12.228 10.026 ( 13.192 -16.535 -0.572) 21.160 11.568 ( 5.300 0.853 4.023) 6.709 12.065 ( -2.169 10.643 20.135) 22.878 13.227 ( -4.774 21.050 -14.448) 25.974 16.167 ( -8.782 2.895 2.768) 9.652 ======================= Grid point 563 (225/580) ======================= q-point: (-0.17 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 6.567 -8.130 -1.035) 10.502 3.609 ( 16.226 -19.465 1.496) 25.386 4.809 ( 6.706 -11.378 3.622) 13.694 5.342 ( 10.351 -11.820 3.037) 16.002 6.125 ( 2.756 -20.507 -3.807) 21.039 6.974 ( -4.510 4.683 -1.711) 6.723 9.657 ( 4.669 -9.611 -2.453) 10.963 10.065 ( 11.359 -17.928 -0.710) 21.235 11.699 ( 8.481 -3.926 3.161) 9.866 12.154 ( -6.672 10.448 20.613) 24.054 13.282 ( -7.303 21.668 -16.272) 28.064 16.062 ( -8.751 4.636 4.302) 10.797 ======================= Grid point 564 (226/580) ======================= q-point: (-0.11 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 9.669 -6.945 -2.806) 12.231 3.639 ( 10.543 -22.023 0.900) 24.433 4.782 ( 3.062 -13.173 4.157) 14.149 5.456 ( 15.609 -12.018 0.240) 19.701 6.033 ( 8.752 -15.578 -1.481) 17.930 6.935 ( -5.554 5.456 -0.639) 7.812 9.669 ( 8.028 -8.330 -2.841) 11.913 10.059 ( 9.083 -18.175 -0.155) 20.319 11.730 ( 1.005 -8.256 1.677) 8.485 12.228 ( -4.875 11.136 20.071) 23.466 13.282 ( -10.934 20.840 -17.682) 29.437 16.009 ( -5.137 5.628 5.932) 9.656 ======================= Grid point 579 (227/580) ======================= q-point: (-0.28 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -0.000 -9.587 3.853) 10.333 3.148 ( -0.000 -16.656 -0.207) 16.657 4.561 ( -0.000 -4.355 -0.101) 4.356 5.279 ( -0.000 -16.541 9.154) 18.905 6.339 ( -0.000 -23.328 -5.385) 23.942 7.067 ( 0.000 2.638 -3.169) 4.123 9.683 ( -0.000 -15.284 -1.792) 15.389 9.757 ( -0.000 -11.136 -1.110) 11.192 11.522 ( -0.000 -0.935 1.532) 1.795 12.073 ( -0.000 14.978 23.094) 27.525 13.308 ( 0.000 21.163 -13.600) 25.157 16.331 ( -0.000 1.757 1.995) 2.659 ======================= Grid point 580 (228/580) ======================= q-point: (-0.22 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 1.232 -12.259 1.470) 12.408 3.076 ( 11.357 -18.803 0.699) 21.977 4.563 ( 5.324 -5.628 0.116) 7.748 5.143 ( 2.334 -20.500 7.781) 22.051 6.075 ( 0.566 -26.449 -5.940) 27.113 7.082 ( -1.719 4.777 -1.651) 5.339 9.553 ( 2.913 -14.315 -2.675) 14.851 9.710 ( 5.948 -10.082 0.123) 11.707 11.531 ( 1.212 0.297 1.716) 2.122 12.280 ( -1.047 11.773 23.071) 25.922 13.450 ( -2.577 21.841 -14.272) 26.218 16.318 ( -4.622 2.702 2.483) 5.902 ======================= Grid point 581 (229/580) ======================= q-point: (-0.17 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 5.196 -13.147 -1.519) 14.218 3.134 ( 16.703 -20.791 1.436) 26.708 4.604 ( 6.575 -8.704 1.715) 11.042 5.036 ( 8.092 -22.159 4.175) 23.957 5.830 ( 3.329 -25.106 -4.917) 25.799 7.088 ( -3.244 5.549 -0.470) 6.445 9.481 ( 4.799 -11.819 -3.448) 13.214 9.736 ( 8.043 -10.553 0.813) 13.293 11.582 ( 3.862 -0.495 2.007) 4.380 12.410 ( -3.987 8.466 21.380) 23.339 13.549 ( -5.334 22.274 -14.904) 27.326 16.258 ( -7.236 4.054 3.984) 9.201 ======================= Grid point 582 (230/580) ======================= q-point: (-0.11 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 9.997 -11.999 -3.635) 16.035 3.203 ( 15.175 -22.812 0.769) 27.409 4.608 ( 4.637 -11.657 3.761) 13.096 5.029 ( 15.603 -22.031 0.195) 26.998 5.697 ( 9.033 -19.580 -2.853) 21.751 7.077 ( -4.544 5.728 0.460) 7.326 9.459 ( 6.763 -10.409 -3.626) 12.932 9.763 ( 6.763 -10.368 0.615) 12.394 11.634 ( 2.837 -3.537 1.418) 4.750 12.479 ( -4.494 7.687 19.474) 21.413 13.595 ( -8.707 21.603 -16.010) 28.263 16.193 ( -7.378 5.013 6.279) 10.908 ======================= Grid point 598 (231/580) ======================= q-point: (-0.22 -0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -0.000 -15.956 0.992) 15.987 2.778 ( -0.000 -21.252 0.333) 21.254 4.464 ( -0.000 -5.363 -0.362) 5.375 4.908 ( -0.000 -27.868 6.220) 28.554 5.779 ( -0.000 -28.024 -5.556) 28.569 7.144 ( 0.000 5.367 -0.625) 5.403 9.348 ( -0.000 -17.674 -0.916) 17.698 9.620 ( 0.000 -1.788 -0.611) 1.889 11.535 ( -0.000 1.513 0.754) 1.690 12.470 ( -0.000 8.553 22.948) 24.490 13.642 ( 0.000 22.516 -13.203) 26.101 16.391 ( -0.000 2.968 2.328) 3.772 ======================= Grid point 599 (232/580) ======================= q-point: (-0.17 -0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 2.285 -17.965 -1.453) 18.168 2.674 ( 12.119 -22.985 1.106) 26.008 4.442 ( 3.703 -6.980 0.354) 7.910 4.663 ( 5.381 -32.874 2.610) 33.414 5.514 ( 2.299 -26.006 -3.762) 26.377 7.181 ( -1.551 5.170 0.101) 5.398 9.222 ( 5.584 -17.425 -1.097) 18.330 9.637 ( 1.194 2.370 0.067) 2.654 11.561 ( 0.603 2.012 0.750) 2.230 12.591 ( -1.697 4.036 20.288) 20.755 13.796 ( -3.079 22.914 -11.831) 25.971 16.401 ( -3.566 3.737 3.150) 6.050 ======================= Grid point 600 (233/580) ======================= q-point: (-0.11 -0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 8.342 -17.299 -3.932) 19.604 2.702 ( 16.712 -24.168 0.814) 29.395 4.408 ( 6.952 -20.194 4.445) 21.815 4.528 ( 11.622 -23.092 -3.159) 26.044 5.348 ( 7.248 -21.244 -2.029) 22.538 7.194 ( -2.803 4.841 0.693) 5.637 9.176 ( 8.684 -16.359 -1.642) 18.594 9.686 ( 0.161 4.159 0.022) 4.162 11.592 ( 0.859 0.690 0.883) 1.412 12.641 ( -2.088 1.426 16.906) 17.094 13.895 ( -6.957 22.154 -11.333) 25.838 16.375 ( -5.737 4.649 5.107) 8.978 ======================= Grid point 617 (234/580) ======================= q-point: (-0.17 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -0.000 -21.400 -1.716) 21.469 2.327 ( -0.000 -25.251 0.946) 25.269 4.248 ( -0.000 -41.763 0.087) 41.763 4.352 ( -0.000 -5.712 -0.656) 5.750 5.235 ( -0.000 -24.709 -1.607) 24.761 7.240 ( 0.000 4.252 0.311) 4.264 9.000 ( -0.000 -17.197 0.039) 17.197 9.690 ( 0.000 8.967 0.488) 8.980 11.589 ( 0.000 3.591 0.023) 3.591 12.682 ( -0.000 -1.240 17.406) 17.450 14.014 ( 0.000 23.118 -8.480) 24.625 16.475 ( -0.000 3.614 2.969) 4.678 ======================= Grid point 618 (235/580) ======================= q-point: (-0.11 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 4.250 -22.117 -3.570) 22.803 2.199 ( 13.023 -26.289 1.113) 29.359 3.884 ( 8.763 -44.903 -1.546) 45.776 4.323 ( 3.204 -6.286 -0.657) 7.086 5.035 ( 4.194 -21.912 -0.295) 22.311 7.269 ( -1.114 3.497 0.453) 3.698 8.888 ( 5.568 -16.000 -0.025) 16.941 9.790 ( -1.649 12.614 0.708) 12.741 11.618 ( -0.861 3.415 0.080) 3.523 12.695 ( -0.411 -5.098 13.734) 14.656 14.178 ( -4.190 22.132 -6.431) 23.425 16.501 ( -2.390 3.968 3.968) 6.099 ======================= Grid point 636 (236/580) ======================= q-point: (-0.11 -0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.000 -24.964 -3.299) 25.181 1.810 ( -0.000 -28.541 1.642) 28.588 3.322 ( -0.000 -50.803 -3.678) 50.936 4.238 ( -0.000 -5.235 -0.854) 5.304 4.788 ( -0.000 -21.170 0.877) 21.188 7.307 ( 0.000 2.447 0.211) 2.456 8.693 ( -0.000 -14.304 0.704) 14.321 9.963 ( 0.000 17.679 1.835) 17.773 11.669 ( 0.000 4.550 -0.418) 4.569 12.659 ( -0.000 -10.254 10.108) 14.398 14.411 ( 0.000 20.966 -3.155) 21.202 16.568 ( -0.000 3.330 4.043) 5.238 ======================= Grid point 695 (237/580) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -0.000 0.000 22.281) 22.281 0.469 ( -0.000 0.000 22.281) 22.281 0.881 ( -0.000 0.000 42.204) 42.204 4.047 ( 0.000 -0.000 -1.189) 1.189 4.047 ( 0.000 -0.000 -1.189) 1.189 8.267 ( -0.000 0.000 0.306) 0.306 8.267 ( -0.000 0.000 0.306) 0.306 8.602 ( 0.000 -0.000 -6.741) 6.741 11.838 ( 0.000 -0.000 -0.334) 0.334 11.838 ( 0.000 -0.000 -0.334) 0.334 15.118 ( -0.000 0.000 2.185) 2.185 15.606 ( 0.000 -0.000 -0.906) 0.906 ======================= Grid point 696 (238/580) ======================= q-point: ( 0.17 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 22.147 12.786 15.023) 29.659 0.951 ( 19.534 11.278 20.370) 30.393 1.342 ( 33.195 19.165 22.378) 44.384 4.050 ( 1.277 0.737 -1.804) 2.330 4.162 ( 9.357 5.402 -0.799) 10.833 7.518 ( -12.785 -7.381 8.481) 17.026 8.331 ( 5.002 2.888 0.806) 5.832 10.201 ( 44.165 25.499 -41.608) 65.818 11.689 ( -2.838 -1.639 -9.184) 9.751 11.805 ( -2.459 -1.420 -0.637) 2.910 15.057 ( -5.982 -3.454 3.529) 7.757 16.093 ( 24.268 14.011 -22.487) 35.930 ======================= Grid point 697 (239/580) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 16.364 9.448 19.783) 27.357 1.468 ( 23.903 13.801 10.121) 29.398 2.305 ( 43.812 25.295 7.421) 51.131 4.091 ( 2.942 1.699 -2.186) 4.040 4.446 ( 15.552 8.979 0.360) 17.962 7.373 ( -4.329 -2.499 1.258) 5.155 8.495 ( 9.204 5.314 1.253) 10.701 10.382 ( -9.650 -5.572 -3.679) 11.735 11.728 ( -3.906 -2.255 -0.894) 4.598 11.855 ( 19.260 11.120 -29.237) 36.734 14.889 ( -10.021 -5.786 6.814) 13.429 16.334 ( 4.960 2.864 -17.745) 18.647 ======================= Grid point 698 (240/580) ======================= q-point: ( 0.28 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 17.749 10.247 13.246) 24.403 2.024 ( 22.544 13.016 7.061) 26.973 3.298 ( 42.134 24.326 2.722) 48.728 4.166 ( 4.238 2.447 -2.273) 5.396 4.844 ( 18.943 10.936 1.609) 21.932 7.283 ( -4.001 -2.310 -1.624) 4.897 8.749 ( 12.679 7.320 1.622) 14.730 10.081 ( -13.956 -8.057 3.847) 16.567 11.632 ( -4.118 -2.378 -1.100) 4.881 12.169 ( 15.106 8.722 -26.831) 32.003 14.668 ( -12.085 -6.977 11.770) 18.256 16.267 ( -4.676 -2.699 -15.420) 16.337 ======================= Grid point 699 (241/580) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 17.350 10.017 7.502) 21.392 2.521 ( 19.677 11.361 4.740) 23.210 4.197 ( 36.962 21.340 -0.581) 42.684 4.263 ( 4.964 2.866 -2.069) 6.093 5.289 ( 19.568 11.297 2.706) 22.756 7.175 ( -4.996 -2.884 -2.544) 6.305 9.067 ( 14.706 8.490 1.925) 17.090 9.844 ( -7.723 -4.459 4.794) 10.125 11.546 ( -2.897 -1.672 -1.283) 3.583 12.311 ( 4.713 2.721 -23.719) 24.335 14.427 ( -14.086 -8.132 16.992) 23.522 16.074 ( -6.379 -3.683 -15.492) 17.154 ======================= Grid point 700 (242/580) ======================= q-point: ( 0.39 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 14.801 8.545 2.884) 17.333 2.936 ( 15.946 9.207 2.935) 18.645 4.370 ( 5.006 2.890 -1.648) 6.010 4.942 ( 29.644 17.115 -3.769) 34.437 5.725 ( 17.854 10.308 3.321) 20.882 7.046 ( -5.617 -3.243 -1.422) 6.640 9.407 ( 14.505 8.375 2.156) 16.887 9.781 ( 0.831 0.480 4.310) 4.415 11.502 ( -0.493 -0.285 -1.470) 1.577 12.226 ( -4.821 -2.783 -22.097) 22.788 14.112 ( -19.975 -11.533 17.688) 29.067 15.938 ( -0.550 -0.317 -12.519) 12.535 ======================= Grid point 701 (243/580) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 10.832 6.254 -0.793) 12.533 3.258 ( 11.884 6.861 1.667) 13.823 4.472 ( 4.395 2.537 -1.108) 5.195 5.501 ( 21.605 12.473 -7.127) 25.945 6.100 ( 14.125 8.155 3.212) 16.624 6.926 ( -4.796 -2.769 2.011) 5.892 9.716 ( 11.853 6.844 2.229) 13.867 9.907 ( 8.986 5.188 2.928) 10.781 11.517 ( 2.225 1.285 -1.625) 3.040 11.985 ( -9.159 -5.288 -20.077) 22.693 13.637 ( -26.424 -15.256 13.611) 33.410 15.970 ( 5.596 3.231 -6.515) 9.176 ======================= Grid point 702 (244/580) ======================= q-point: ( 0.50 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 6.614 3.819 -3.628) 8.455 3.483 ( 7.793 4.499 0.907) 9.045 4.557 ( 3.303 1.907 -0.531) 3.851 5.871 ( 14.110 8.146 -10.679) 19.480 6.369 ( 8.601 4.966 2.350) 10.206 6.859 ( -2.249 -1.298 7.455) 7.894 9.944 ( 7.654 4.419 2.025) 9.067 10.187 ( 14.769 8.527 1.080) 17.088 11.582 ( 3.768 2.175 -1.646) 4.652 11.719 ( -8.012 -4.626 -17.398) 19.705 13.053 ( -27.997 -16.164 10.574) 34.014 16.104 ( 6.727 3.884 -2.360) 8.119 ======================= Grid point 703 (245/580) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 3.019 1.743 -5.631) 6.623 3.615 ( 3.715 2.145 0.483) 4.317 4.616 ( 1.938 1.119 0.037) 2.238 6.077 ( 8.171 4.718 -13.418) 16.403 6.500 ( 2.720 1.571 1.842) 3.641 6.872 ( -0.178 -0.103 12.271) 12.273 10.073 ( 3.286 1.897 1.567) 4.106 10.538 ( 14.772 8.529 -0.709) 17.072 11.540 ( -2.182 -1.260 -15.250) 15.456 11.658 ( 3.011 1.738 -1.505) 3.788 12.498 ( -23.112 -13.344 10.688) 28.748 16.227 ( 4.296 2.480 -0.716) 5.011 ======================= Grid point 704 (246/580) ======================= q-point: (-0.39 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 0.036 0.021 -6.832) 6.832 3.654 ( -0.432 -0.249 0.147) 0.520 4.644 ( 0.450 0.260 0.558) 0.763 6.158 ( 3.111 1.796 -14.573) 15.009 6.535 ( 0.437 0.252 3.170) 3.210 6.895 ( -2.409 -1.391 13.632) 13.913 10.106 ( -0.720 -0.415 1.025) 1.319 10.718 ( -1.391 -0.803 -2.600) 3.057 11.589 ( 12.640 7.298 -14.323) 20.450 11.694 ( 0.469 0.271 -1.267) 1.378 12.156 ( -9.462 -5.463 13.036) 17.009 16.284 ( 0.873 0.504 -0.004) 1.008 ======================= Grid point 705 (247/580) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -3.088 -1.783 -7.311) 8.134 3.596 ( -4.732 -2.732 -0.310) 5.472 4.639 ( -1.070 -0.618 0.993) 1.585 6.106 ( -3.803 -2.196 -13.134) 13.849 6.563 ( 0.565 0.326 3.747) 3.804 6.844 ( -5.595 -3.230 12.612) 14.170 10.048 ( -4.643 -2.681 0.532) 5.387 10.486 ( -15.355 -8.865 -3.300) 18.034 11.670 ( -2.089 -1.206 -0.972) 2.601 11.960 ( 21.768 12.568 -14.625) 29.081 12.170 ( 5.934 3.426 14.217) 15.782 16.276 ( -1.368 -0.790 1.256) 2.018 ======================= Grid point 706 (248/580) ======================= q-point: (-0.28 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( -7.078 -4.086 -7.150) 10.859 3.437 ( -9.205 -5.314 -0.973) 10.673 4.602 ( -2.528 -1.459 1.305) 3.198 5.900 ( -10.930 -6.310 -9.920) 16.053 6.481 ( -11.380 -6.570 6.710) 14.755 6.824 ( 2.713 1.567 6.625) 7.329 9.899 ( -8.747 -5.050 0.124) 10.101 10.107 ( -15.940 -9.203 -2.859) 18.626 11.607 ( -2.943 -1.699 -0.611) 3.453 12.349 ( 14.673 8.472 -0.931) 16.969 12.507 ( 20.444 11.804 -1.785) 23.675 16.252 ( -1.024 -0.591 3.542) 3.734 ======================= Grid point 707 (249/580) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -11.915 -6.879 -6.356) 15.155 3.174 ( -13.760 -7.944 -1.758) 15.986 4.536 ( -3.774 -2.179 1.466) 4.598 5.542 ( -18.691 -10.791 -6.331) 22.492 6.141 ( -19.433 -11.220 5.989) 23.225 6.961 ( 6.772 3.910 3.232) 8.462 9.657 ( -12.551 -7.247 -0.220) 14.495 9.792 ( -10.519 -6.073 -2.587) 12.419 11.551 ( -1.616 -0.933 -0.199) 1.877 12.641 ( 10.875 6.279 -0.574) 12.570 12.982 ( 22.302 12.876 -4.956) 26.225 16.272 ( 1.637 0.945 5.634) 5.943 ======================= Grid point 708 (250/580) ======================= q-point: (-0.17 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -16.714 -9.650 -4.772) 19.881 2.807 ( -18.137 -10.471 -2.402) 21.080 4.445 ( -4.613 -2.663 1.456) 5.522 4.998 ( -28.627 -16.528 -2.194) 33.129 5.690 ( -21.156 -12.215 2.677) 24.575 7.121 ( 6.219 3.591 1.594) 7.356 9.343 ( -14.830 -8.562 -0.500) 17.132 9.641 ( -1.777 -1.026 -2.312) 3.091 11.541 ( 0.838 0.484 0.175) 0.984 12.808 ( 4.577 2.642 -5.261) 7.457 13.473 ( 22.120 12.771 -1.355) 25.578 16.361 ( 4.298 2.481 5.324) 7.279 ======================= Grid point 709 (251/580) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -20.260 -11.697 -1.915) 23.473 2.345 ( -21.931 -12.662 -2.522) 25.449 4.242 ( -37.913 -21.889 1.168) 43.794 4.342 ( -4.884 -2.820 1.256) 5.778 5.226 ( -20.252 -11.693 0.160) 23.386 7.240 ( 4.024 2.323 0.329) 4.658 9.004 ( -14.725 -8.502 -0.680) 17.017 9.703 ( 7.801 4.504 -1.916) 9.209 11.587 ( 2.977 1.719 0.398) 3.461 12.812 ( -2.191 -1.265 -7.522) 7.936 13.960 ( 20.858 12.042 1.516) 24.132 16.481 ( 4.759 2.748 1.849) 5.798 ======================= Grid point 714 (252/580) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -0.000 20.685 13.520) 24.712 1.052 ( -0.000 18.350 24.656) 30.735 1.486 ( -0.000 39.051 22.257) 44.948 4.073 ( 0.000 2.825 -1.057) 3.017 4.129 ( 0.000 9.546 -1.794) 9.713 7.544 ( -0.000 -16.931 8.087) 18.763 8.307 ( 0.000 4.614 0.104) 4.615 10.039 ( 0.000 50.915 -37.201) 63.058 11.715 ( 0.000 0.144 -9.328) 9.329 11.818 ( -0.000 -2.123 -0.237) 2.137 15.064 ( -0.000 -7.327 3.797) 8.252 16.009 ( 0.000 25.763 -18.684) 31.825 ======================= Grid point 715 (253/580) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 20.885 19.380 9.320) 29.977 1.368 ( 8.440 13.059 23.843) 28.465 2.133 ( 19.544 43.496 10.930) 48.922 4.094 ( -0.067 4.536 -1.654) 4.829 4.330 ( 9.889 12.497 -0.572) 15.947 7.408 ( -3.375 -6.162 2.469) 7.447 8.426 ( 6.362 6.970 0.649) 9.459 10.325 ( 5.208 -0.464 -12.094) 13.176 11.701 ( -0.852 8.083 -14.998) 17.058 11.797 ( 0.555 7.261 -9.880) 12.274 14.955 ( -4.444 -9.984 6.057) 12.494 16.224 ( 6.477 10.524 -18.142) 21.951 ======================= Grid point 716 (254/580) ======================= q-point: ( 0.28 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 12.553 11.935 17.534) 24.647 1.844 ( 20.856 18.802 6.781) 28.887 2.985 ( 29.806 37.135 4.297) 47.811 4.153 ( 1.659 6.023 -1.833) 6.511 4.677 ( 15.119 14.118 0.980) 20.709 7.313 ( -3.237 -3.466 -0.953) 4.838 8.650 ( 9.839 9.936 1.308) 14.044 10.174 ( -7.697 -13.962 2.124) 16.084 11.656 ( -2.385 -2.926 -2.178) 4.358 11.979 ( 9.519 17.140 -27.076) 33.429 14.776 ( -7.109 -11.411 9.971) 16.738 16.258 ( -1.738 0.889 -15.948) 16.067 ======================= Grid point 717 (255/580) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 14.578 10.896 10.926) 21.228 2.374 ( 17.894 18.394 4.539) 26.060 3.838 ( 31.220 27.521 -0.417) 41.621 4.258 ( 3.238 9.292 -1.137) 9.906 5.102 ( 17.655 13.995 2.448) 22.662 7.213 ( -4.100 -3.240 -2.410) 5.755 8.953 ( 12.031 12.537 1.905) 17.480 9.923 ( -7.491 -10.206 4.600) 13.469 11.580 ( -2.852 -1.678 -1.345) 3.572 12.162 ( 7.112 6.883 -25.086) 26.967 14.570 ( -8.566 -12.435 14.902) 21.215 16.110 ( -7.218 -2.166 -15.708) 17.422 ======================= Grid point 718 (256/580) ======================= q-point: ( 0.39 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 14.314 8.780 5.333) 17.619 2.831 ( 14.003 17.386 2.582) 22.472 4.320 ( 6.783 6.183 -2.874) 9.618 4.658 ( 24.790 24.110 -1.733) 34.624 5.544 ( 17.635 12.486 3.492) 21.888 7.096 ( -4.869 -3.385 -1.973) 6.249 9.300 ( 12.350 13.963 2.522) 18.811 9.788 ( -1.559 -4.027 4.318) 6.107 11.528 ( -2.124 0.974 -1.389) 2.718 12.161 ( -0.101 -2.213 -23.109) 23.215 14.321 ( -12.841 -14.919 17.451) 26.306 15.929 ( -4.687 -0.698 -14.154) 14.926 ======================= Grid point 719 (257/580) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 12.105 5.897 0.753) 13.486 3.200 ( 9.590 15.876 1.194) 18.586 4.454 ( 3.436 6.939 -1.690) 7.926 5.250 ( 21.742 16.971 -5.706) 28.165 5.948 ( 15.351 9.867 3.853) 18.651 6.980 ( -4.512 -3.048 0.602) 5.479 9.639 ( 10.343 13.363 3.306) 17.218 9.829 ( 5.887 2.404 2.589) 6.866 11.520 ( -0.690 3.139 -1.555) 3.570 11.986 ( -5.555 -6.306 -21.159) 22.767 13.930 ( -21.062 -17.787 14.321) 31.066 15.883 ( 3.423 1.460 -8.503) 9.282 ======================= Grid point 720 (258/580) ======================= q-point: ( 0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 8.822 3.021 -2.950) 9.780 3.472 ( 5.117 13.974 0.550) 14.891 4.564 ( 1.687 7.543 -0.933) 7.785 5.674 ( 15.582 10.680 -9.339) 21.073 6.267 ( 11.093 6.462 3.525) 13.313 6.903 ( -2.444 -2.101 5.131) 6.059 9.922 ( 7.188 11.911 3.519) 14.350 10.036 ( 11.523 7.328 0.421) 13.663 11.529 ( -0.401 -1.256 -3.675) 3.905 11.771 ( -5.434 -0.783 -16.342) 17.239 13.388 ( -26.229 -17.806 10.315) 33.338 15.984 ( 8.248 0.867 -3.272) 8.915 ======================= Grid point 721 (259/580) ======================= q-point: ( 0.56 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 5.420 0.667 -5.699) 7.893 3.650 ( 0.852 11.915 0.455) 11.954 4.649 ( -0.276 7.703 -0.288) 7.713 5.930 ( 9.920 5.925 -12.404) 16.951 6.462 ( 5.288 2.865 2.665) 6.578 6.898 ( 0.579 -1.307 10.295) 10.394 10.124 ( 0.954 12.651 2.549) 12.941 10.346 ( 16.089 7.517 -1.163) 17.797 11.418 ( -0.746 -9.608 -10.169) 14.010 11.733 ( -1.794 8.979 -6.575) 11.273 12.815 ( -25.349 -14.294 8.999) 30.461 16.119 ( 8.197 -1.524 -0.957) 8.392 ======================= Grid point 722 (260/580) ======================= q-point: ( 0.61 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( 2.436 -1.191 -7.338) 7.823 3.737 ( -3.353 9.943 0.434) 10.502 4.701 ( -2.277 7.372 0.280) 7.720 6.055 ( 5.533 2.549 -14.113) 15.371 6.535 ( 1.259 0.433 2.926) 3.215 6.939 ( 0.481 -2.157 13.061) 13.246 10.214 ( -4.935 11.250 1.585) 12.387 10.650 ( 10.361 3.829 -2.590) 11.345 11.338 ( 6.806 -6.614 -10.333) 14.030 11.768 ( -1.739 7.243 -3.639) 8.290 12.376 ( -16.931 -5.571 9.672) 20.279 16.209 ( 5.687 -4.105 -0.282) 7.019 ======================= Grid point 723 (261/580) ======================= q-point: (-0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -0.370 -2.965 -7.879) 8.427 3.733 ( -7.774 8.082 0.111) 11.215 4.717 ( -4.112 6.567 0.768) 7.786 6.069 ( 0.540 -0.973 -14.263) 14.306 6.563 ( 1.013 0.055 3.784) 3.918 6.931 ( -3.402 -4.307 13.284) 14.373 10.189 ( -9.148 7.101 0.744) 11.604 10.632 ( -10.077 -4.532 -3.305) 11.533 11.473 ( 14.992 -4.277 -6.756) 16.991 11.849 ( 5.974 10.925 -6.071) 13.852 12.228 ( -4.147 3.507 10.737) 12.033 16.233 ( 3.129 -5.662 0.400) 6.482 ======================= Grid point 724 (262/580) ======================= q-point: (-0.28 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( -3.704 -4.976 -7.484) 9.720 3.630 ( -12.516 6.114 -0.588) 13.942 4.696 ( -5.678 5.381 1.129) 7.904 5.950 ( -5.920 -4.823 -12.197) 14.390 6.576 ( -2.619 -2.196 4.413) 5.582 6.852 ( -3.524 -3.741 10.842) 11.999 10.049 ( -11.907 0.297 0.038) 11.910 10.319 ( -17.616 -4.398 -2.346) 18.308 11.585 ( 3.998 -2.820 -1.795) 5.211 12.154 ( 16.479 14.464 -15.747) 26.995 12.356 ( 9.280 5.019 14.208) 17.697 16.223 ( 2.259 -5.374 1.927) 6.140 ======================= Grid point 725 (263/580) ======================= q-point: (-0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -8.024 -7.048 -6.320) 12.410 3.423 ( -17.434 3.801 -1.443) 17.902 4.639 ( -6.884 3.936 1.293) 8.035 5.693 ( -12.939 -7.911 -9.190) 17.733 6.369 ( -16.240 -9.395 6.930) 20.000 6.896 ( 5.463 1.576 4.880) 7.493 9.802 ( -12.860 -5.919 -0.501) 14.166 9.993 ( -17.264 -0.302 -1.353) 17.320 11.578 ( -1.708 0.353 -1.017) 2.019 12.479 ( 13.714 8.589 -13.555) 21.109 12.722 ( 20.339 7.790 8.751) 23.472 16.236 ( 3.491 -3.318 3.676) 6.059 ======================= Grid point 726 (264/580) ======================= q-point: (-0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -13.072 -8.566 -4.396) 16.235 3.106 ( -22.147 1.244 -2.073) 22.278 4.551 ( -7.578 2.368 1.212) 8.031 5.285 ( -22.122 -10.829 -5.572) 25.253 5.955 ( -21.854 -11.423 5.215) 25.204 7.042 ( 7.181 2.381 2.184) 7.874 9.526 ( -13.513 -5.525 0.045) 14.599 9.730 ( -11.744 0.218 -1.591) 11.854 11.554 ( -1.426 1.650 -0.608) 2.264 12.688 ( 9.241 3.161 -12.490) 15.856 13.202 ( 23.048 9.047 5.897) 25.453 16.305 ( 5.424 -0.904 3.778) 6.671 ======================= Grid point 727 (265/580) ======================= q-point: (-0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -17.904 -8.845 -1.358) 20.016 2.690 ( -26.199 -0.955 -2.094) 26.300 4.440 ( -7.635 0.735 0.728) 7.705 4.683 ( -33.674 -13.662 -1.250) 36.362 5.483 ( -22.163 -10.180 2.182) 24.487 7.179 ( 5.772 1.670 0.493) 6.029 9.216 ( -17.252 -4.254 0.188) 17.770 9.644 ( 1.225 2.097 -1.336) 2.772 11.566 ( 1.037 1.726 -0.251) 2.029 12.763 ( 3.103 -0.480 -12.722) 13.104 13.701 ( 22.978 8.784 6.038) 25.330 16.412 ( 6.036 0.229 1.032) 6.128 ======================= Grid point 733 (266/580) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -0.000 25.278 7.819) 26.460 1.516 ( -0.000 13.705 23.956) 27.599 2.472 ( 0.000 48.038 8.184) 48.730 4.140 ( 0.000 4.605 -1.036) 4.720 4.387 ( 0.000 17.636 -0.742) 17.652 7.380 ( -0.000 -5.993 1.374) 6.149 8.450 ( 0.000 9.918 0.333) 9.924 10.225 ( 0.000 -6.399 -6.084) 8.829 11.755 ( -0.000 -3.997 -0.345) 4.012 11.828 ( 0.000 20.326 -26.711) 33.565 14.898 ( -0.000 -13.067 7.140) 14.890 16.223 ( 0.000 10.317 -16.589) 19.536 ======================= Grid point 734 (267/580) ======================= q-point: ( 0.28 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 15.468 23.215 6.234) 28.585 1.773 ( 5.761 13.237 19.197) 24.020 3.056 ( 11.925 44.559 3.446) 46.255 4.192 ( 0.957 6.331 -1.165) 6.508 4.643 ( 7.843 19.439 0.795) 20.977 7.315 ( -1.762 -4.146 -0.734) 4.564 8.620 ( 6.574 12.385 0.913) 14.051 10.104 ( -1.505 -14.995 1.592) 15.154 11.671 ( -3.535 -2.774 -2.512) 5.148 11.964 ( 3.426 17.237 -26.173) 31.526 14.763 ( -2.911 -14.872 9.820) 18.058 16.247 ( -0.592 4.068 -15.437) 15.975 ======================= Grid point 735 (268/580) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 9.410 11.884 13.527) 20.316 2.279 ( 18.191 21.517 4.115) 28.475 3.718 ( 18.346 34.953 -1.456) 39.502 4.302 ( 3.430 10.190 -0.459) 10.762 5.011 ( 12.211 19.010 2.537) 22.736 7.233 ( -3.018 -3.517 -2.102) 5.089 8.906 ( 10.406 15.163 1.876) 18.485 9.919 ( -3.985 -13.280 4.382) 14.541 11.591 ( -1.777 -2.241 -2.396) 3.731 12.070 ( 3.240 9.029 -24.528) 26.337 14.587 ( -4.586 -16.064 13.489) 21.472 16.159 ( -5.752 0.126 -15.127) 16.185 ======================= Grid point 736 (269/580) ======================= q-point: ( 0.39 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 11.051 9.650 7.672) 16.556 2.784 ( 15.493 20.859 2.448) 26.098 4.235 ( 11.619 15.037 -5.346) 19.741 4.580 ( 13.411 22.565 0.405) 26.253 5.424 ( 14.029 16.964 3.755) 22.331 7.132 ( -4.037 -3.425 -2.036) 5.672 9.264 ( 11.603 17.484 3.152) 21.219 9.777 ( -1.875 -7.016 4.053) 8.317 11.555 ( -0.368 0.281 -2.195) 2.243 12.062 ( 0.133 -0.703 -22.800) 22.811 14.380 ( -6.857 -18.028 16.330) 25.272 15.984 ( -7.662 -0.117 -14.309) 16.232 ======================= Grid point 737 (270/580) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 10.676 6.533 2.625) 12.789 3.217 ( 10.928 20.489 1.059) 23.245 4.455 ( 5.274 9.757 -3.641) 11.673 5.082 ( 17.847 20.396 -3.485) 27.325 5.823 ( 13.572 13.443 4.143) 19.547 7.024 ( -4.181 -3.086 -0.206) 5.200 9.630 ( 9.310 14.485 5.769) 18.159 9.775 ( 4.402 3.517 0.853) 5.698 11.568 ( -0.148 4.145 -1.923) 4.572 11.915 ( -3.205 -7.139 -21.417) 22.802 14.083 ( -13.160 -20.487 15.021) 28.610 15.851 ( -2.486 0.853 -10.286) 10.617 ======================= Grid point 738 (271/580) ======================= q-point: ( 0.50 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 8.886 3.282 -1.552) 9.599 3.557 ( 5.684 19.875 0.361) 20.675 4.613 ( 3.042 10.492 -2.329) 11.170 5.507 ( 14.583 13.468 -6.910) 21.019 6.158 ( 11.356 8.854 4.066) 14.962 6.939 ( -2.952 -2.438 3.192) 4.985 9.851 ( 9.610 3.579 3.208) 10.745 10.033 ( 6.901 19.388 1.634) 20.644 11.557 ( -5.699 -1.251 -5.587) 8.078 11.753 ( 0.695 -0.250 -15.232) 15.250 13.637 ( -20.456 -20.329 10.825) 30.804 15.852 ( 4.838 -0.634 -4.697) 6.772 ======================= Grid point 739 (272/580) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 6.446 0.594 -4.729) 8.017 3.798 ( 0.470 18.853 0.371) 18.863 4.746 ( 0.565 11.456 -1.265) 11.540 5.787 ( 9.955 7.774 -10.213) 16.243 6.397 ( 7.490 4.358 3.658) 9.406 6.906 ( -0.303 -2.227 7.508) 7.837 10.106 ( 14.365 5.550 -0.042) 15.399 10.315 ( 2.323 20.291 2.135) 20.535 11.350 ( -5.868 -8.989 -9.834) 14.559 11.807 ( 1.132 9.252 -7.076) 11.703 13.109 ( -23.110 -16.565 7.978) 29.532 15.939 ( 8.460 -4.162 -1.378) 9.528 ======================= Grid point 740 (273/580) ======================= q-point: ( 0.61 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 3.893 -1.270 -6.698) 7.851 3.944 ( -4.352 17.433 0.606) 17.978 4.843 ( -2.376 12.026 -0.311) 12.262 5.937 ( 6.159 3.511 -12.586) 14.446 6.518 ( 2.766 0.981 2.933) 4.149 6.931 ( 1.966 -3.171 11.268) 11.870 10.409 ( 10.669 8.861 -0.743) 13.889 10.511 ( -0.068 16.137 -0.864) 16.160 11.183 ( 0.427 -7.500 -7.004) 10.271 11.861 ( -2.718 6.912 -4.295) 8.580 12.645 ( -18.572 -7.926 6.657) 21.262 16.025 ( 8.479 -7.670 -0.335) 11.438 ======================= Grid point 741 (274/580) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 1.288 -2.523 -7.396) 7.920 3.995 ( -8.909 15.575 0.493) 17.950 4.895 ( -5.342 11.911 0.525) 13.065 5.984 ( 2.747 -0.244 -13.657) 13.933 6.555 ( 1.019 -0.486 3.129) 3.326 6.957 ( 0.189 -5.087 12.573) 13.565 10.477 ( -12.673 11.872 0.043) 17.365 10.664 ( 4.404 0.952 -4.530) 6.389 11.217 ( 9.328 1.828 -4.277) 10.423 11.843 ( -0.268 1.995 -1.263) 2.376 12.413 ( -9.223 3.390 4.841) 10.954 16.069 ( 7.032 -9.742 0.008) 12.015 ======================= Grid point 742 (275/580) ======================= q-point: (-0.28 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( -1.738 -3.515 -6.947) 7.978 3.948 ( -13.476 13.134 -0.169) 18.818 4.898 ( -7.908 10.939 1.104) 13.544 5.928 ( -1.765 -3.975 -12.886) 13.600 6.581 ( 1.134 -0.847 3.089) 3.398 6.910 ( -3.641 -6.481 11.923) 14.051 10.288 ( -15.507 0.301 -1.289) 15.563 10.576 ( -13.004 1.986 -1.765) 13.272 11.437 ( 10.715 5.877 -3.042) 12.594 11.976 ( 12.486 5.878 -5.353) 14.802 12.387 ( -1.695 5.466 6.240) 8.467 16.083 ( 6.074 -9.539 0.761) 11.334 ======================= Grid point 743 (276/580) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -5.580 -4.318 -5.554) 8.979 3.792 ( -18.133 10.068 -1.114) 20.770 4.849 ( -9.789 9.008 1.230) 13.359 5.761 ( -7.275 -6.319 -10.500) 14.251 6.527 ( -8.267 -5.991 4.785) 11.275 6.853 ( 1.200 -2.490 7.561) 8.050 9.986 ( -15.695 -5.223 -0.998) 16.572 10.324 ( -18.736 3.652 -0.223) 19.090 11.601 ( 1.827 6.407 -2.108) 6.988 12.262 ( 15.082 7.623 -16.993) 23.965 12.537 ( 11.857 3.339 14.020) 18.663 16.109 ( 6.489 -7.193 1.770) 9.848 ======================= Grid point 744 (277/580) ======================= q-point: (-0.17 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -10.227 -4.591 -3.355) 11.701 3.524 ( -22.648 6.731 -1.831) 23.698 4.753 ( -10.748 6.166 0.794) 12.416 5.486 ( -14.380 -6.820 -7.476) 17.583 6.222 ( -19.045 -9.747 5.758) 22.156 6.945 ( 6.859 0.553 3.083) 7.541 9.688 ( -12.853 -4.699 0.098) 13.686 10.025 ( -19.795 2.617 -0.220) 19.968 11.625 ( -3.747 5.275 -1.777) 6.710 12.481 ( 12.317 2.872 -18.637) 22.523 12.926 ( 21.459 5.303 13.611) 25.959 16.179 ( 7.595 -4.247 1.653) 8.857 ======================= Grid point 745 (278/580) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -15.095 -3.775 -0.280) 15.562 3.152 ( -26.546 3.877 -1.852) 26.892 4.615 ( -10.695 2.676 -0.314) 11.029 5.076 ( -24.879 -6.308 -3.618) 25.919 5.784 ( -22.709 -8.695 4.069) 24.655 7.081 ( 7.253 0.585 0.779) 7.318 9.455 ( -12.717 -2.246 1.693) 13.024 9.745 ( -12.951 1.596 -0.979) 13.086 11.599 ( -2.885 3.159 -1.309) 4.474 12.611 ( 8.527 -0.097 -17.340) 19.323 13.409 ( 23.373 5.980 11.940) 26.919 16.282 ( 7.926 -2.599 -0.767) 8.376 ======================= Grid point 752 (279/580) ======================= q-point: ( 0.28 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.000 25.149 5.108) 25.663 1.918 ( -0.000 12.955 17.646) 21.891 3.409 ( 0.000 44.024 0.574) 44.028 4.234 ( 0.000 5.700 -1.143) 5.813 4.799 ( 0.000 24.014 1.946) 24.092 7.287 ( 0.000 -3.887 -1.260) 4.086 8.696 ( 0.000 14.725 0.938) 14.754 9.978 ( -0.000 -14.678 3.728) 15.144 11.665 ( -0.000 -4.750 -0.668) 4.797 11.998 ( 0.000 13.987 -27.717) 31.046 14.664 ( -0.000 -17.015 11.179) 20.359 16.245 ( 0.000 3.867 -14.614) 15.117 ======================= Grid point 753 (280/580) ======================= q-point: ( 0.33 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 4.212 11.843 13.442) 18.403 2.240 ( 12.467 23.330 3.928) 26.742 3.867 ( 6.158 37.239 -3.141) 37.875 4.322 ( 4.003 7.822 -0.764) 8.820 5.096 ( 4.783 25.305 3.483) 25.987 7.232 ( -1.645 -3.541 -1.937) 4.359 8.916 ( 7.056 16.812 1.645) 18.307 9.849 ( -1.234 -12.235 5.331) 13.403 11.591 ( -2.289 -3.536 -2.043) 4.681 12.029 ( 1.549 6.602 -25.001) 25.905 14.516 ( -1.891 -18.482 13.330) 22.866 16.199 ( -3.454 1.964 -14.180) 14.726 ======================= Grid point 754 (281/580) ======================= q-point: ( 0.39 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 6.925 9.754 8.429) 14.634 2.724 ( 16.533 21.401 2.744) 27.182 4.243 ( 5.386 20.345 -6.031) 21.893 4.572 ( 11.759 17.990 -0.212) 21.493 5.456 ( 7.202 23.919 4.272) 25.342 7.152 ( -2.982 -3.317 -1.856) 4.831 9.259 ( 11.338 18.921 3.124) 22.278 9.748 ( -1.199 -6.920 4.828) 8.522 11.534 ( 0.178 -1.561 -3.425) 3.768 11.989 ( -0.559 -0.920 -21.767) 21.794 14.331 ( -3.565 -20.259 15.159) 25.552 16.072 ( -7.325 1.136 -13.450) 15.357 ======================= Grid point 755 (282/580) ======================= q-point: ( 0.44 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 7.955 6.797 3.712) 11.102 3.207 ( 14.952 20.756 1.623) 25.632 4.457 ( 4.912 12.607 -5.277) 14.523 4.993 ( 15.058 18.571 -2.061) 23.997 5.814 ( 7.726 19.933 3.978) 21.745 7.060 ( -3.620 -2.820 -0.495) 4.615 9.636 ( 7.321 11.230 7.406) 15.315 9.751 ( 5.873 8.350 0.150) 10.210 11.553 ( 3.849 1.434 -4.623) 6.184 11.844 ( -4.197 -6.081 -18.838) 20.235 14.088 ( -6.979 -22.470 14.815) 27.804 15.912 ( -7.219 1.224 -10.867) 13.103 ======================= Grid point 756 (283/580) ======================= q-point: ( 0.50 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 7.521 3.636 -0.286) 8.359 3.632 ( 10.382 21.040 0.882) 23.479 4.641 ( 4.809 11.693 -4.327) 13.363 5.388 ( 13.728 13.478 -3.764) 19.604 6.117 ( 7.038 13.699 3.385) 15.769 6.979 ( -3.306 -2.109 1.961) 4.385 9.759 ( 5.472 2.685 2.421) 6.558 10.111 ( 9.699 21.908 3.684) 24.241 11.615 ( -6.295 -8.637 -16.962) 20.048 11.660 ( 5.426 6.460 -4.420) 9.524 13.744 ( -12.821 -22.962 11.710) 28.788 15.804 ( -2.270 -0.323 -6.295) 6.700 ======================= Grid point 757 (284/580) ======================= q-point: ( 0.56 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 6.185 1.008 -3.326) 7.095 3.967 ( 4.323 21.464 0.699) 21.906 4.817 ( 3.849 11.860 -3.175) 12.867 5.680 ( 9.625 9.109 -6.423) 14.726 6.340 ( 6.150 6.846 3.559) 9.867 6.924 ( -2.018 -2.123 4.864) 5.678 9.935 ( 10.670 5.051 -1.454) 11.894 10.473 ( 6.017 21.634 5.352) 23.084 11.359 ( -8.207 -7.549 -12.230) 16.551 11.823 ( 5.453 9.928 -5.933) 12.787 13.305 ( -17.474 -19.868 8.225) 27.708 15.781 ( 3.470 -4.417 -2.325) 6.079 ======================= Grid point 758 (285/580) ======================= q-point: ( 0.61 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 4.437 -0.705 -5.249) 6.909 4.198 ( -2.015 21.192 0.817) 21.303 4.975 ( 1.602 12.558 -1.677) 12.770 5.846 ( 5.020 5.431 -9.561) 12.088 6.481 ( 4.110 1.627 3.468) 5.618 6.904 ( 0.504 -3.666 8.089) 8.895 10.196 ( 14.724 5.659 -4.868) 16.508 10.771 ( 1.035 22.334 5.624) 23.055 11.126 ( -5.833 -7.092 -7.574) 11.904 11.955 ( -0.299 9.512 -5.216) 10.852 12.869 ( -16.538 -12.256 5.631) 21.340 15.802 ( 6.933 -9.068 -0.489) 11.425 ======================= Grid point 759 (286/580) ======================= q-point: ( 0.67 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 2.445 -1.558 -6.020) 6.682 4.317 ( -7.789 19.647 0.708) 21.146 5.097 ( -2.199 13.668 0.111) 13.844 5.899 ( 1.892 1.173 -11.806) 12.014 6.538 ( 1.512 -0.952 2.538) 3.104 6.917 ( 2.224 -5.966 10.679) 12.433 10.481 ( 14.551 4.115 -7.057) 16.687 10.809 ( -14.542 6.379 -3.626) 16.288 11.150 ( 8.038 10.328 5.411) 14.162 11.924 ( -7.869 2.385 -2.459) 8.582 12.603 ( -9.197 0.027 2.251) 9.469 15.826 ( 8.249 -12.068 -0.029) 14.617 ======================= Grid point 760 (287/580) ======================= q-point: (-0.28 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( 0.038 -1.828 -5.715) 6.001 4.321 ( -12.909 16.695 0.094) 21.104 5.160 ( -7.037 14.273 1.598) 15.994 5.859 ( -0.225 -3.546 -12.310) 12.813 6.555 ( 1.481 -1.413 1.971) 2.842 6.911 ( 0.036 -7.641 11.001) 13.394 10.550 ( -16.400 -0.909 -3.480) 16.790 10.666 ( 4.377 1.465 -5.240) 6.983 11.440 ( 5.095 19.072 5.381) 20.461 11.841 ( 2.011 -0.354 -2.332) 3.100 12.516 ( -5.768 3.742 0.780) 6.920 15.850 ( 8.719 -12.128 0.229) 14.938 ======================= Grid point 761 (288/580) ======================= q-point: (-0.22 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -3.078 -1.704 -4.456) 5.678 4.205 ( -17.561 12.585 -0.814) 21.621 5.142 ( -11.441 12.475 1.674) 17.010 5.749 ( -2.620 -5.707 -10.387) 12.138 6.563 ( -0.461 -2.794 1.668) 3.287 6.850 ( -1.750 -6.725 9.288) 11.600 10.223 ( -17.892 -3.542 -1.801) 18.328 10.613 ( -10.080 1.288 -1.368) 10.254 11.683 ( 0.202 19.073 -1.099) 19.106 12.007 ( 15.495 1.408 -6.309) 16.789 12.485 ( 0.676 0.122 5.433) 5.476 15.896 ( 9.254 -9.453 0.545) 13.240 ======================= Grid point 762 (289/580) ======================= q-point: (-0.17 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -6.989 -1.105 -2.386) 7.467 3.969 ( -21.696 8.017 -1.534) 23.180 5.029 ( -13.557 7.367 0.035) 15.430 5.593 ( -7.326 -3.402 -6.759) 10.532 6.422 ( -11.899 -7.167 3.528) 14.332 6.852 ( 4.570 -2.057 4.544) 6.765 9.893 ( -16.095 -3.164 -0.277) 16.406 10.381 ( -18.021 1.624 0.369) 18.098 11.786 ( -6.288 12.489 -2.703) 14.241 12.214 ( 12.943 -0.341 -18.133) 22.281 12.680 ( 17.314 1.622 15.523) 23.310 15.983 ( 9.712 -5.972 0.036) 11.401 ======================= Grid point 763 (290/580) ======================= q-point: (-0.11 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -11.340 0.267 0.364) 11.349 3.625 ( -25.066 4.058 -1.623) 25.444 4.839 ( -13.319 1.573 -2.029) 13.564 5.374 ( -15.557 0.486 -3.189) 15.888 6.087 ( -19.712 -6.690 3.594) 21.125 6.957 ( 7.460 -0.846 1.490) 7.654 9.636 ( -11.800 -1.073 1.554) 11.950 10.061 ( -20.498 0.874 0.156) 20.518 11.725 ( -8.119 4.806 -2.081) 9.661 12.361 ( 12.746 -0.683 -19.891) 23.634 13.115 ( 22.697 3.728 16.282) 28.181 16.096 ( 9.356 -3.901 -2.276) 10.389 ======================= Grid point 771 (291/580) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -0.000 10.875 10.885) 15.386 2.373 ( 0.000 23.210 3.637) 23.493 4.166 ( 0.000 34.695 -4.746) 35.018 4.341 ( 0.000 6.035 -1.307) 6.175 5.339 ( 0.000 28.549 4.382) 28.883 7.205 ( 0.000 -3.386 -1.905) 3.885 9.027 ( 0.000 17.922 1.665) 17.999 9.775 ( -0.000 -8.758 6.566) 10.946 11.570 ( -0.000 -4.114 -1.116) 4.263 11.971 ( 0.000 1.766 -25.294) 25.355 14.388 ( -0.000 -20.107 13.874) 24.429 16.207 ( 0.000 2.444 -13.255) 13.479 ======================= Grid point 772 (292/580) ======================= q-point: ( 0.39 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 3.064 8.962 7.384) 12.010 2.700 ( 10.846 21.268 2.881) 24.047 4.372 ( -0.571 13.811 -4.114) 14.422 4.560 ( 9.335 21.112 -3.039) 23.283 5.654 ( 2.093 28.164 4.264) 28.562 7.154 ( -1.601 -2.991 -1.563) 3.735 9.283 ( 8.066 18.942 2.454) 20.734 9.728 ( -0.728 -3.955 6.440) 7.592 11.513 ( -1.348 -2.705 -2.691) 4.046 11.891 ( 0.920 -3.643 -22.079) 22.396 14.218 ( -1.667 -21.750 14.262) 26.062 16.149 ( -4.515 2.316 -12.184) 13.199 ======================= Grid point 773 (293/580) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 4.910 6.355 3.761) 8.868 3.140 ( 15.902 19.369 2.049) 25.144 4.500 ( 2.972 11.733 -4.441) 12.893 4.922 ( 11.919 17.114 -2.656) 21.024 5.966 ( 2.352 24.516 3.094) 24.822 7.088 ( -2.699 -2.087 -0.429) 3.439 9.653 ( 8.698 14.474 6.777) 18.196 9.737 ( 4.034 6.608 1.531) 7.892 11.476 ( 1.662 -1.756 -6.061) 6.525 11.778 ( -0.918 -5.765 -16.521) 17.522 14.000 ( -3.816 -23.566 13.628) 27.489 16.025 ( -7.834 2.149 -10.193) 13.034 ======================= Grid point 774 (294/580) ======================= q-point: ( 0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 5.525 3.605 0.576) 6.622 3.605 ( 15.912 18.644 1.446) 24.554 4.665 ( 4.336 12.166 -4.861) 13.800 5.267 ( 13.213 11.211 -1.736) 17.415 6.216 ( 1.378 18.095 1.697) 18.226 7.025 ( -3.221 -0.787 1.361) 3.584 9.746 ( 1.109 4.468 2.815) 5.396 10.137 ( 13.768 20.754 4.025) 25.229 11.472 ( 3.568 -5.517 -13.853) 15.333 11.678 ( -0.513 0.937 -6.491) 6.579 13.716 ( -7.169 -24.473 11.520) 27.983 15.875 ( -7.791 0.999 -6.944) 10.484 ======================= Grid point 775 (295/580) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 5.189 1.349 -1.852) 5.672 4.035 ( 12.258 19.204 1.279) 22.818 4.842 ( 4.504 11.952 -4.778) 13.636 5.566 ( 12.034 7.187 -2.022) 14.162 6.375 ( 0.618 10.241 1.526) 10.373 6.971 ( -3.525 -0.261 2.996) 4.634 9.852 ( 4.997 6.497 -1.353) 8.307 10.552 ( 10.085 18.109 6.697) 21.783 11.358 ( -3.251 -5.112 -14.068) 15.317 11.782 ( 7.498 8.402 -4.103) 11.986 13.363 ( -10.935 -22.760 8.691) 26.704 15.745 ( -4.558 -2.354 -3.428) 6.170 ======================= Grid point 776 (296/580) ======================= q-point: ( 0.61 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 4.282 -0.045 -3.400) 5.468 4.388 ( 5.560 20.509 1.440) 21.298 5.015 ( 4.774 10.498 -3.935) 12.185 5.787 ( 7.348 5.919 -4.425) 10.422 6.459 ( 1.322 2.798 2.878) 4.226 6.917 ( -3.120 -1.882 4.364) 5.686 10.032 ( 9.567 6.992 -4.911) 12.827 10.868 ( 7.934 10.079 8.401) 15.334 11.211 ( -7.794 3.232 -9.281) 12.543 11.997 ( 6.240 11.552 -5.519) 14.243 12.989 ( -12.097 -17.144 6.122) 21.857 15.652 ( -0.062 -7.301 -1.048) 7.376 ======================= Grid point 777 (297/580) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 3.032 -0.567 -4.087) 5.121 4.617 ( -3.067 20.627 1.223) 20.890 5.186 ( 5.166 9.381 -1.930) 10.882 5.886 ( 0.068 5.193 -7.739) 9.320 6.500 ( 2.010 -2.213 3.121) 4.322 6.868 ( -0.495 -5.120 6.625) 8.387 10.267 ( 12.689 5.911 -7.128) 15.709 10.990 ( -3.462 -2.664 -3.443) 5.562 11.194 ( 1.075 14.122 7.435) 15.996 12.104 ( -5.607 9.603 -4.193) 11.884 12.721 ( -6.639 -5.651 2.477) 9.064 15.594 ( 4.310 -11.429 -0.083) 12.215 ======================= Grid point 778 (298/580) ======================= q-point: (-0.28 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 1.417 -0.410 -3.973) 4.238 4.690 ( -10.490 17.310 0.300) 20.243 5.353 ( 2.549 11.123 1.156) 11.470 5.837 ( -5.500 0.858 -9.781) 11.254 6.513 ( 1.999 -3.003 1.245) 3.816 6.845 ( 1.825 -7.884 8.622) 11.825 10.503 ( 11.788 3.612 -7.122) 14.238 10.802 ( -14.278 0.505 -4.461) 14.967 11.443 ( 11.684 5.045 11.007) 16.826 12.009 ( -12.794 11.302 -2.381) 17.236 12.633 ( -4.593 1.546 -1.250) 5.005 15.581 ( 8.027 -12.184 0.132) 14.591 ======================= Grid point 779 (299/580) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -0.767 0.233 -3.102) 3.204 4.607 ( -15.792 11.682 -0.648) 19.654 5.465 ( -7.532 14.814 3.798) 17.048 5.685 ( -2.933 -6.062 -10.259) 12.272 6.524 ( 2.010 -2.386 -0.291) 3.134 6.817 ( 0.641 -8.287 8.303) 11.749 10.505 ( -18.606 -0.450 -3.173) 18.880 10.652 ( 4.053 1.205 -3.612) 5.560 11.725 ( 15.759 -3.172 3.080) 16.367 11.972 ( -8.135 21.798 0.375) 23.270 12.532 ( -6.205 -2.561 -0.741) 6.754 15.634 ( 10.461 -9.145 0.074) 13.895 ======================= Grid point 780 (300/580) ======================= q-point: (-0.17 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( -3.682 1.287 -1.548) 4.196 4.386 ( -19.804 5.610 -1.275) 20.623 5.334 ( -15.750 3.181 -2.700) 16.293 5.638 ( -1.168 3.150 -2.102) 3.963 6.497 ( -3.073 -3.971 -0.272) 5.029 6.783 ( 1.715 -5.240 5.884) 8.064 10.168 ( -18.895 -0.552 -1.264) 18.946 10.620 ( -8.308 0.614 -0.194) 8.333 11.903 ( 12.404 -1.415 -14.123) 18.850 12.085 ( -9.282 14.592 1.012) 17.323 12.484 ( 9.551 -3.879 10.549) 14.749 15.750 ( 11.060 -4.831 -0.609) 12.085 ======================= Grid point 781 (301/580) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -7.202 2.817 0.525) 7.751 4.050 ( -22.642 0.672 -1.422) 22.697 5.062 ( -14.453 -2.568 -4.274) 15.289 5.608 ( -8.931 7.257 0.161) 11.509 6.319 ( -12.629 -4.252 0.783) 13.348 6.832 ( 6.097 -2.446 2.677) 7.094 9.872 ( -15.822 1.049 0.543) 15.866 10.396 ( -17.660 -0.276 0.853) 17.683 11.924 ( -9.567 -3.163 -3.436) 10.646 12.069 ( 10.600 4.186 -17.937) 21.251 12.825 ( 21.363 1.719 16.888) 27.286 15.892 ( 9.864 -2.039 -2.572) 10.396 ======================= Grid point 790 (302/580) ======================= q-point: ( 0.39 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -0.000 7.391 5.228) 9.053 2.817 ( 0.000 20.019 2.716) 20.203 4.447 ( 0.000 5.683 -1.409) 5.855 4.704 ( 0.000 24.591 -5.692) 25.241 5.930 ( 0.000 27.940 3.278) 28.132 7.137 ( 0.000 -2.200 -1.049) 2.438 9.399 ( 0.000 18.335 2.170) 18.463 9.741 ( -0.000 0.484 7.291) 7.307 11.498 ( 0.000 -2.155 -1.478) 2.613 11.750 ( 0.000 -7.096 -21.854) 22.977 14.061 ( -0.000 -23.056 13.284) 26.610 16.176 ( 0.000 2.923 -10.728) 11.119 ======================= Grid point 791 (303/580) ======================= q-point: ( 0.44 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 2.171 5.251 2.987) 6.420 3.100 ( 10.097 17.847 2.162) 20.619 4.526 ( 3.251 6.794 -2.119) 7.824 4.943 ( 4.698 18.541 -4.113) 19.564 6.198 ( 0.126 24.111 1.551) 24.161 7.108 ( -1.417 -0.554 -0.090) 1.524 9.665 ( 9.290 17.566 3.124) 20.115 9.782 ( -0.856 5.085 5.680) 7.672 11.441 ( -2.606 -2.877 -5.700) 6.896 11.640 ( 3.352 -6.773 -15.070) 16.858 13.857 ( -1.864 -24.271 11.861) 27.079 16.130 ( -4.937 2.993 -8.857) 10.572 ======================= Grid point 792 (304/580) ======================= q-point: ( 0.50 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 3.454 3.072 1.049) 4.740 3.498 ( 16.067 15.846 1.601) 22.623 4.674 ( 5.905 8.962 -3.260) 11.217 5.187 ( 7.770 11.731 -1.729) 14.177 6.398 ( -1.036 17.482 -0.167) 17.513 7.083 ( -2.563 1.905 1.127) 3.386 9.826 ( -1.977 7.635 4.015) 8.850 10.079 ( 15.976 17.588 2.752) 23.919 11.336 ( 0.057 -6.843 -10.906) 12.875 11.631 ( 3.605 -0.081 -6.543) 7.471 13.604 ( -4.075 -24.815 9.886) 27.021 16.014 ( -8.564 2.307 -6.405) 10.940 ======================= Grid point 793 (305/580) ======================= q-point: ( 0.56 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 3.910 1.371 -0.415) 4.164 3.942 ( 17.805 14.722 1.343) 23.143 4.862 ( 5.743 11.184 -4.341) 13.300 5.423 ( 10.482 5.594 0.295) 11.885 6.500 ( -2.424 9.948 -0.612) 10.257 7.061 ( -4.162 3.506 1.697) 5.700 9.888 ( -0.625 8.911 -0.209) 8.935 10.524 ( 14.575 14.379 5.305) 21.150 11.264 ( 3.127 -4.151 -11.714) 12.815 11.719 ( 6.175 4.948 -3.205) 8.537 13.307 ( -6.427 -23.683 7.704) 25.720 15.851 ( -9.797 0.241 -3.747) 10.492 ======================= Grid point 794 (306/580) ======================= q-point: ( 0.61 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 3.733 0.413 -1.365) 3.996 4.380 ( 16.077 14.694 1.559) 21.836 5.038 ( 3.367 11.366 -4.699) 12.752 5.653 ( 11.863 2.413 0.481) 12.116 6.517 ( -2.985 3.579 0.641) 4.705 7.008 ( -6.194 2.244 1.452) 6.746 9.987 ( 3.036 8.858 -3.579) 10.025 10.819 ( 7.498 2.589 7.001) 10.580 11.300 ( 1.979 8.510 -8.790) 12.394 11.922 ( 11.485 8.100 -3.531) 14.490 12.992 ( -7.729 -19.744 5.924) 22.015 15.670 ( -8.505 -3.368 -1.608) 9.288 ======================= Grid point 795 (307/580) ======================= q-point: ( 0.67 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 3.148 0.195 -1.858) 3.660 4.766 ( 10.197 16.308 2.199) 19.359 5.160 ( 2.507 7.100 -4.118) 8.582 5.861 ( 8.643 3.998 -1.978) 9.726 6.482 ( -2.373 -2.166 2.558) 4.107 6.908 ( -6.441 -1.151 1.634) 6.744 10.141 ( 7.260 7.870 -5.105) 11.862 10.930 ( 5.222 -2.571 3.610) 6.849 11.367 ( -4.236 9.812 -0.940) 10.728 12.189 ( 7.835 11.215 -4.840) 14.512 12.738 ( -4.715 -11.594 4.350) 13.251 15.499 ( -4.730 -7.289 -0.394) 8.698 ======================= Grid point 796 (308/580) ======================= q-point: ( 0.72 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 2.260 0.591 -1.937) 3.035 4.997 ( -5.079 16.631 1.312) 17.438 5.281 ( 10.244 1.444 -1.891) 10.517 5.968 ( -3.011 8.009 -4.919) 9.870 6.432 ( 1.536 -6.844 2.824) 7.561 6.802 ( -3.036 -4.785 3.347) 6.581 10.342 ( 9.851 6.399 -4.758) 12.674 10.968 ( -2.601 2.204 -2.829) 4.430 11.355 ( -0.066 -2.451 6.725) 7.158 12.295 ( -5.947 10.959 -1.573) 12.568 12.670 ( 0.878 -0.871 -0.083) 1.240 15.387 ( 1.489 -8.744 0.050) 8.870 ======================= Grid point 797 (309/580) ======================= q-point: (-0.22 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 0.992 1.455 -1.577) 2.364 4.946 ( -13.140 7.367 -0.419) 15.070 5.485 ( 9.784 1.819 -1.208) 10.025 5.872 ( -14.399 8.108 -2.149) 16.664 6.438 ( 4.710 -4.529 -1.004) 6.610 6.742 ( 0.767 -7.037 5.185) 8.775 10.548 ( 8.783 4.986 -3.284) 10.620 10.811 ( -16.698 3.354 -4.015) 17.498 11.436 ( 12.818 -8.426 5.066) 16.154 12.283 ( -6.632 11.008 2.405) 13.075 12.628 ( -6.620 0.127 -2.629) 7.124 15.396 ( 7.956 -5.695 0.014) 9.784 ======================= Grid point 798 (310/580) ======================= q-point: (-0.17 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -0.849 2.662 -0.764) 2.897 4.722 ( -16.857 -0.244 -0.942) 16.885 5.501 ( -6.410 -6.380 -7.420) 11.698 5.780 ( -6.433 13.708 6.061) 16.310 6.465 ( 2.368 -1.944 -3.272) 4.483 6.716 ( 1.812 -6.476 5.073) 8.423 10.503 ( -20.055 2.538 -3.095) 20.451 10.685 ( 1.756 3.501 0.357) 3.933 11.594 ( 13.774 -7.936 -5.442) 16.803 12.336 ( 3.979 0.920 8.095) 9.067 12.443 ( -13.977 3.582 -2.668) 14.673 15.530 ( 10.899 -0.566 -0.507) 10.926 ======================= Grid point 799 (311/580) ======================= q-point: (-0.11 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( -3.348 4.127 0.407) 5.330 4.381 ( -19.413 -5.284 -1.154) 20.153 5.233 ( -12.742 -6.658 -5.358) 15.343 5.834 ( -6.181 11.708 3.780) 13.769 6.429 ( -4.186 -1.278 -2.807) 5.199 6.726 ( 4.100 -3.963 3.729) 6.813 10.191 ( -19.018 3.587 -0.875) 19.373 10.642 ( -10.493 0.985 1.551) 10.653 11.686 ( 11.346 -9.701 -13.455) 20.097 12.199 ( -9.953 -1.799 -3.150) 10.593 12.573 ( 14.019 2.788 13.127) 19.407 15.720 ( 9.825 2.974 -1.764) 10.415 ======================= Grid point 809 (312/580) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -0.000 3.729 2.061) 4.260 3.184 ( 0.000 15.791 1.954) 15.911 4.541 ( 0.000 4.797 -1.361) 4.987 5.069 ( 0.000 16.485 -3.546) 16.862 6.417 ( 0.000 19.649 -0.323) 19.652 7.128 ( 0.000 2.196 0.467) 2.245 9.749 ( 0.000 15.427 2.116) 15.572 9.882 ( -0.000 8.688 6.500) 10.851 11.439 ( 0.000 -10.393 -16.681) 19.654 11.472 ( 0.000 0.598 -1.438) 1.558 13.671 ( -0.000 -24.696 9.761) 26.555 16.177 ( 0.000 3.330 -7.155) 7.892 ======================= Grid point 810 (313/580) ======================= q-point: ( 0.50 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 1.583 2.211 1.453) 3.083 3.419 ( 9.907 13.357 1.499) 16.697 4.628 ( 5.425 5.073 -1.648) 7.608 5.221 ( 2.176 12.211 -1.677) 12.516 6.565 ( -1.074 12.761 -1.752) 12.925 7.157 ( -1.424 5.619 0.824) 5.855 9.970 ( 0.439 11.069 5.570) 12.399 10.003 ( 8.243 13.688 1.173) 16.021 11.252 ( -2.665 -8.958 -10.883) 14.345 11.536 ( 5.231 1.319 -3.291) 6.319 13.443 ( -1.928 -24.409 7.496) 25.607 16.142 ( -5.349 3.017 -5.179) 8.034 ======================= Grid point 811 (314/580) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 2.572 1.123 1.100) 3.014 3.772 ( 16.659 11.107 1.122) 20.054 4.807 ( 9.406 6.688 -2.478) 11.804 5.365 ( 3.855 7.063 0.662) 8.073 6.620 ( -2.469 6.533 -1.879) 7.233 7.184 ( -3.495 7.068 0.345) 7.893 10.037 ( -4.416 11.568 1.696) 12.498 10.383 ( 17.529 11.170 2.207) 20.903 11.132 ( 2.008 -6.075 -7.479) 9.842 11.647 ( 6.121 3.583 -2.257) 7.443 13.185 ( -3.715 -22.764 5.347) 23.676 16.023 ( -9.766 1.887 -3.172) 10.440 ======================= Grid point 812 (315/580) ======================= q-point: ( 0.61 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 2.974 0.613 0.834) 3.149 4.186 ( 19.726 9.232 1.021) 21.803 5.038 ( 8.887 9.518 -3.679) 13.532 5.499 ( 6.955 1.398 2.867) 7.652 6.606 ( -3.628 2.426 -0.927) 4.462 7.162 ( -6.608 5.365 -0.703) 8.541 10.077 ( -3.208 10.749 -1.338) 11.297 10.712 ( 9.881 0.722 4.750) 10.987 11.223 ( 12.509 7.156 -7.365) 16.184 11.794 ( 8.077 3.171 -0.560) 8.695 12.922 ( -4.715 -18.849 3.764) 19.791 15.834 ( -12.409 -0.114 -1.535) 12.505 ======================= Grid point 813 (316/580) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 2.929 0.629 0.543) 3.045 4.609 ( 19.899 7.394 1.184) 21.261 5.225 ( 1.706 10.709 -3.478) 11.388 5.669 ( 12.904 -1.871 2.773) 13.330 6.543 ( -4.783 -0.560 0.455) 4.837 7.056 ( -9.499 2.061 -1.595) 9.850 10.146 ( 0.743 9.460 -1.924) 9.682 10.813 ( 5.783 -4.698 4.326) 8.615 11.488 ( 3.049 12.491 -4.753) 13.709 12.013 ( 16.910 1.709 -1.345) 17.049 12.708 ( -3.717 -11.621 3.288) 12.636 15.604 ( -12.483 -2.379 -0.538) 12.719 ======================= Grid point 814 (317/580) ======================= q-point: ( 0.72 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 2.624 1.096 0.232) 2.853 4.996 ( 18.267 4.055 0.963) 18.736 5.269 ( -5.586 7.505 -0.810) 9.390 5.907 ( 14.195 1.056 -0.567) 14.245 6.433 ( -6.489 -3.420 1.869) 7.569 6.888 ( -9.482 -1.127 -1.608) 9.683 10.278 ( 5.006 8.330 -0.702) 9.744 10.894 ( 7.631 -3.633 2.035) 8.694 11.474 ( -10.098 2.284 -0.937) 10.395 12.328 ( 12.772 5.370 -4.221) 14.484 12.614 ( 1.041 -4.298 3.900) 5.896 15.389 ( -8.529 -3.101 -0.104) 9.076 ======================= Grid point 815 (318/580) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 2.113 1.957 0.017) 2.880 5.146 ( -4.729 -5.758 -1.536) 7.608 5.333 ( 8.466 8.111 2.189) 11.927 6.116 ( 2.307 8.601 -2.835) 9.345 6.289 ( -1.413 -8.358 2.397) 8.809 6.734 ( -5.215 -3.240 -0.231) 6.144 10.464 ( 7.383 7.532 0.549) 10.561 11.001 ( 4.462 1.202 -2.529) 5.268 11.265 ( -8.827 -6.926 2.265) 11.446 12.414 ( -2.997 0.193 -0.650) 3.073 12.676 ( 3.351 0.874 0.366) 3.482 15.294 ( -0.028 -0.057 -0.000) 0.063 ======================= Grid point 816 (319/580) ======================= q-point: (-0.17 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 1.247 3.116 0.008) 3.356 4.924 ( -11.821 -8.815 -0.634) 14.759 5.471 ( 1.355 -1.687 -2.083) 3.003 6.064 ( -10.123 8.297 5.474) 14.188 6.351 ( 8.227 -1.098 -4.800) 9.588 6.653 ( -0.422 -4.376 1.719) 4.720 10.655 ( 5.716 6.869 -0.361) 8.943 10.875 ( -18.673 4.905 -0.754) 19.321 11.252 ( 14.073 -11.099 -1.286) 17.969 12.297 ( -4.433 -9.757 1.862) 10.877 12.669 ( -5.835 3.223 -0.245) 6.670 15.390 ( 7.633 5.313 -0.187) 9.302 ======================= Grid point 817 (320/580) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( -0.200 4.420 0.202) 4.429 4.587 ( -15.233 -11.956 -0.680) 19.376 5.328 ( -9.053 -8.166 -3.589) 12.709 6.061 ( -5.353 10.548 5.000) 12.842 6.430 ( 2.397 1.823 -4.968) 5.810 6.639 ( 2.661 -4.101 3.192) 5.839 10.559 ( -19.152 5.167 -3.267) 20.104 10.788 ( -3.106 4.598 4.875) 7.387 11.351 ( 11.701 -11.347 -9.277) 18.755 12.152 ( 1.687 -13.376 3.394) 13.903 12.591 ( -5.124 2.273 2.383) 6.091 15.612 ( 9.295 8.911 -0.728) 12.897 ======================= Grid point 828 (321/580) ======================= q-point: ( 0.50 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -0.000 1.356 2.086) 2.489 3.454 ( 0.000 10.761 1.181) 10.825 4.614 ( 0.000 3.552 -1.156) 3.735 5.313 ( 0.000 10.199 -0.424) 10.208 6.664 ( 0.000 7.321 -2.511) 7.740 7.240 ( 0.000 8.198 0.039) 8.198 10.012 ( 0.000 10.059 1.312) 10.144 10.146 ( -0.000 13.909 4.904) 14.748 11.149 ( 0.000 -9.682 -9.870) 13.826 11.500 ( 0.000 2.818 -0.749) 2.916 13.248 ( -0.000 -23.061 4.920) 23.580 16.204 ( 0.000 3.010 -3.658) 4.737 ======================= Grid point 829 (322/580) ======================= q-point: ( 0.56 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 1.241 0.813 2.806) 3.174 3.637 ( 10.014 8.103 0.802) 12.907 4.701 ( 6.867 3.388 -1.252) 7.759 5.406 ( 0.678 7.105 1.400) 7.274 6.696 ( -1.452 3.661 -2.427) 4.626 7.304 ( -1.918 7.837 -1.131) 8.147 10.197 ( 9.080 7.450 2.122) 11.935 10.271 ( -1.578 14.219 1.662) 14.403 11.028 ( 0.165 -7.791 -4.986) 9.251 11.576 ( 5.114 3.372 -0.632) 6.158 13.033 ( -1.718 -20.305 2.514) 20.532 16.171 ( -5.840 2.380 -2.138) 6.658 ======================= Grid point 830 (323/580) ======================= q-point: ( 0.61 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 2.038 0.635 3.199) 3.845 3.941 ( 17.255 5.543 0.594) 18.133 4.899 ( 12.472 4.110 -1.802) 13.255 5.480 ( 0.826 3.521 3.435) 4.988 6.676 ( -2.890 1.523 -1.851) 3.755 7.308 ( -4.748 5.230 -2.389) 7.457 10.280 ( -6.883 11.864 1.254) 13.773 10.522 ( 14.396 1.618 0.973) 14.519 11.035 ( 9.793 -0.142 -2.347) 10.071 11.708 ( 6.055 2.702 0.442) 6.645 12.822 ( -2.722 -15.602 0.686) 15.853 16.041 ( -10.974 1.303 -0.924) 11.090 ======================= Grid point 831 (324/580) ======================= q-point: ( 0.67 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 2.420 0.716 3.040) 3.951 4.310 ( 20.753 2.859 0.620) 20.958 5.173 ( 14.198 6.217 -2.995) 15.786 5.527 ( 1.857 -1.147 5.583) 5.995 6.618 ( -4.269 0.117 -1.026) 4.393 7.223 ( -8.223 1.852 -3.527) 9.137 10.280 ( -5.122 9.592 1.438) 10.969 10.670 ( 6.703 -5.937 2.672) 9.345 11.380 ( 22.431 10.799 -4.541) 25.306 11.802 ( 4.158 -2.786 2.072) 5.416 12.660 ( -1.971 -8.654 0.137) 8.877 15.829 ( -14.356 0.284 -0.218) 14.361 ======================= Grid point 832 (325/580) ======================= q-point: (-0.28 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 2.586 1.040 2.409) 3.684 4.678 ( 20.520 -0.881 0.558) 20.547 5.404 ( 1.058 8.810 -0.870) 8.916 5.615 ( 14.449 -6.018 3.780) 16.102 6.528 ( -5.841 -0.676 -0.019) 5.880 7.050 ( -10.779 -0.900 -4.197) 11.602 10.325 ( -0.174 7.474 4.000) 8.479 10.720 ( 6.670 -6.501 0.937) 9.361 11.664 ( -6.874 6.497 -2.517) 9.788 11.980 ( 26.353 -1.271 -1.277) 26.415 12.588 ( -0.617 -3.626 1.454) 3.955 15.582 ( -14.405 0.548 0.038) 14.416 ======================= Grid point 833 (326/580) ======================= q-point: (-0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 2.689 1.677 1.560) 3.533 4.943 ( 13.706 -8.032 -0.435) 15.892 5.419 ( -3.547 4.025 4.963) 7.309 5.880 ( 18.280 -2.402 -2.226) 18.571 6.409 ( -7.979 0.043 1.397) 8.100 6.839 ( -9.964 -1.899 -3.964) 10.891 10.447 ( 4.563 5.907 6.210) 9.710 10.789 ( 9.540 -6.968 -1.710) 11.936 11.491 ( -14.232 1.034 -0.533) 14.279 12.369 ( 12.855 3.708 -5.683) 14.536 12.556 ( 3.292 -6.412 4.391) 8.440 15.395 ( -8.900 3.730 0.117) 9.651 ======================= Grid point 834 (327/580) ======================= q-point: (-0.17 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 2.645 2.632 0.729) 3.802 4.922 ( -1.807 -14.832 -0.445) 14.948 5.442 ( 0.669 -1.150 3.659) 3.894 6.114 ( 12.357 -3.591 -3.739) 13.400 6.307 ( -5.774 6.064 3.180) 8.957 6.676 ( -5.699 -1.653 -2.640) 6.495 10.622 ( 6.874 4.749 5.924) 10.242 10.893 ( 12.732 -8.646 -4.180) 15.948 11.240 ( -17.364 3.088 1.180) 17.676 12.315 ( -8.036 -7.904 -1.624) 11.388 12.665 ( 6.581 -2.733 0.383) 7.136 15.389 ( 0.890 9.086 0.147) 9.131 ======================= Grid point 835 (328/580) ======================= q-point: (-0.11 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 2.167 3.753 -0.000) 4.334 4.656 ( -9.780 -16.940 -0.000) 19.561 5.358 ( -5.421 -9.389 0.000) 10.842 6.196 ( 1.546 2.678 0.000) 3.093 6.385 ( 3.580 6.201 -0.000) 7.161 6.597 ( -1.033 -1.790 0.000) 2.067 10.765 ( 1.529 2.649 -0.000) 3.058 10.987 ( -2.896 -5.017 0.000) 5.793 11.018 ( 0.192 0.332 0.000) 0.384 12.064 ( -6.901 -11.954 0.000) 13.803 12.660 ( -2.441 -4.228 -0.000) 4.882 15.576 ( 7.279 12.608 -0.000) 14.558 ======================= Grid point 848 (329/580) ======================= q-point: ( 0.56 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -0.000 0.636 4.473) 4.518 3.616 ( 0.000 5.238 0.427) 5.256 4.663 ( 0.000 2.086 -0.860) 2.256 5.471 ( -0.000 5.373 2.869) 6.091 6.727 ( 0.000 2.036 -2.559) 3.270 7.384 ( 0.000 6.023 -2.482) 6.514 10.155 ( 0.000 4.245 0.014) 4.246 10.467 ( 0.000 15.235 3.350) 15.599 10.935 ( -0.000 -7.982 -2.030) 8.237 11.558 ( 0.000 2.828 0.396) 2.856 12.872 ( -0.000 -16.102 -0.250) 16.104 16.239 ( 0.000 2.090 -1.033) 2.331 ======================= Grid point 849 (330/580) ======================= q-point: ( 0.61 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 0.965 0.569 5.503) 5.616 3.743 ( 10.203 2.450 0.186) 10.495 4.743 ( 7.706 1.564 -0.863) 7.910 5.525 ( -0.157 3.082 4.575) 5.519 6.720 ( -1.600 1.076 -2.401) 3.079 7.398 ( -2.334 2.819 -3.730) 5.225 10.285 ( 11.280 1.211 -0.305) 11.349 10.542 ( -6.933 9.511 1.259) 11.837 10.902 ( 3.847 -2.410 2.726) 5.295 11.636 ( 5.371 2.190 1.114) 5.906 12.725 ( -1.342 -10.185 -2.509) 10.575 16.202 ( -6.229 1.438 -0.158) 6.395 ======================= Grid point 850 (331/580) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 1.607 0.454 5.457) 5.706 3.994 ( 17.584 -0.332 0.258) 17.589 4.941 ( 14.204 1.169 -1.172) 14.300 5.553 ( -0.937 0.671 6.196) 6.302 6.679 ( -3.144 0.423 -2.002) 3.751 7.330 ( -5.250 -0.735 -4.928) 7.238 10.460 ( 0.116 -5.022 1.476) 5.236 10.496 ( 3.464 4.691 1.658) 6.063 11.078 ( 15.702 4.396 1.785) 16.403 11.751 ( 4.335 1.231 2.076) 4.962 12.621 ( -1.539 -3.423 -3.618) 5.213 16.060 ( -11.604 0.927 0.312) 11.645 ======================= Grid point 851 (332/580) ======================= q-point: (-0.28 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 2.151 0.346 4.445) 4.950 4.307 ( 20.622 -3.563 0.571) 20.935 5.222 ( 18.366 0.089 -1.707) 18.445 5.545 ( -2.354 -1.294 7.298) 7.777 6.610 ( -4.490 0.043 -1.329) 4.683 7.176 ( -8.146 -3.487 -5.814) 10.598 10.391 ( -0.609 -5.579 6.017) 8.228 10.592 ( 3.168 0.922 -0.576) 3.349 11.498 ( 26.967 1.463 1.066) 27.027 11.794 ( -1.955 3.554 0.968) 4.170 12.580 ( -1.106 0.769 -3.020) 3.307 15.846 ( -14.627 1.418 0.429) 14.702 ======================= Grid point 852 (333/580) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 2.802 0.505 2.924) 4.081 4.590 ( 18.226 -8.307 0.677) 20.041 5.476 ( 4.863 -10.113 7.908) 13.728 5.557 ( 11.302 5.854 -2.781) 13.028 6.522 ( -5.480 -0.047 -0.153) 5.482 6.965 ( -9.376 -4.047 -5.911) 11.799 10.385 ( 5.745 -9.331 7.844) 13.476 10.644 ( 2.536 1.860 -2.549) 4.049 11.678 ( -5.337 -2.701 5.000) 7.796 12.044 ( 23.491 7.196 -3.304) 24.790 12.542 ( -3.652 -0.508 -2.252) 4.320 15.629 ( -13.156 4.045 0.476) 13.772 ======================= Grid point 853 (334/580) ======================= q-point: (-0.17 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 3.507 1.098 1.310) 3.901 4.714 ( 8.415 -14.960 0.486) 17.171 5.424 ( -0.437 -8.422 7.622) 11.367 5.836 ( 15.771 1.169 -4.764) 16.516 6.437 ( -4.599 0.811 2.103) 5.121 6.767 ( -7.719 -1.947 -4.986) 9.393 10.451 ( 11.414 -12.554 6.933) 18.329 10.708 ( 4.127 2.015 -3.923) 6.040 11.535 ( -12.664 2.454 5.997) 14.225 12.400 ( -3.368 -10.151 1.795) 10.845 12.434 ( 11.099 6.825 -7.054) 14.817 15.524 ( -5.887 8.724 0.658) 10.545 ======================= Grid point 867 (335/580) ======================= q-point: (-0.39 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -0.000 0.371 7.155) 7.165 3.664 ( 0.000 -0.468 -0.148) 0.491 4.683 ( 0.000 0.490 -0.576) 0.756 5.567 ( -0.000 1.380 6.141) 6.294 6.734 ( 0.000 0.747 -2.638) 2.741 7.414 ( 0.000 -0.667 -4.932) 4.977 10.182 ( 0.000 -0.903 -1.199) 1.501 10.621 ( -0.000 -6.445 -1.056) 6.531 10.940 ( -0.000 11.412 9.459) 14.823 11.600 ( -0.000 0.616 1.447) 1.573 12.657 ( 0.000 -3.202 -5.255) 6.154 16.268 ( -0.000 1.055 0.449) 1.147 ======================= Grid point 868 (336/580) ======================= q-point: (-0.33 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 0.623 -0.173 7.420) 7.448 3.735 ( 10.407 -3.248 -0.121) 10.903 4.750 ( 7.920 -0.350 -0.550) 7.947 5.590 ( -0.506 -0.693 7.618) 7.666 6.716 ( -1.654 0.394 -2.559) 3.072 7.351 ( -2.380 -4.305 -6.136) 7.865 10.245 ( 9.234 -4.601 -1.696) 10.455 10.516 ( 0.086 -10.725 1.120) 10.784 11.081 ( -2.117 13.799 9.482) 16.876 11.673 ( 6.476 0.496 2.812) 7.078 12.628 ( -1.224 3.656 -7.093) 8.073 16.225 ( -6.328 0.749 0.726) 6.413 ======================= Grid point 869 (337/580) ======================= q-point: (-0.28 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 1.289 -1.014 6.152) 6.367 3.934 ( 17.621 -6.053 0.405) 18.636 4.928 ( 14.116 -1.798 -0.590) 14.243 5.586 ( -1.268 -2.573 8.433) 8.908 6.669 ( -3.103 -0.170 -2.130) 3.768 7.211 ( -4.740 -6.917 -7.118) 10.999 10.266 ( 3.011 -13.099 0.279) 13.443 10.518 ( 8.622 -5.830 1.311) 10.491 11.255 ( 6.952 10.649 7.344) 14.686 11.805 ( 4.886 2.248 4.767) 7.186 12.634 ( -2.250 8.222 -7.935) 11.646 16.083 ( -11.312 1.162 0.733) 11.395 ======================= Grid point 870 (338/580) ======================= q-point: (-0.22 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 2.411 -1.629 4.012) 4.956 4.183 ( 19.551 -9.555 1.046) 21.786 5.159 ( 16.183 -5.632 0.352) 17.139 5.564 ( -0.731 -2.319 7.088) 7.493 6.594 ( -4.071 -1.637 -1.307) 4.579 7.022 ( -6.282 -6.705 -7.254) 11.707 10.183 ( 4.325 -15.177 2.364) 15.957 10.594 ( 5.596 -4.914 -0.091) 7.448 11.568 ( 15.066 5.216 8.630) 18.129 11.905 ( 2.671 3.962 3.949) 6.199 12.641 ( -4.614 9.685 -8.764) 13.853 15.893 ( -13.099 3.045 0.792) 13.471 ======================= Grid point 871 (339/580) ======================= q-point: (-0.17 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 3.881 -1.580 1.709) 4.526 4.372 ( 14.910 -14.511 1.278) 20.845 5.290 ( 7.204 -12.779 5.569) 15.691 5.629 ( 8.678 1.706 -0.083) 8.845 6.495 ( -3.481 -4.172 0.074) 5.434 6.844 ( -6.199 -2.626 -5.942) 8.980 10.151 ( 8.642 -15.352 2.373) 17.776 10.624 ( 4.882 -5.883 -1.208) 7.740 11.760 ( -5.002 5.826 13.788) 15.782 12.080 ( 16.052 -4.552 1.909) 16.794 12.600 ( -8.215 12.362 -11.876) 19.009 15.740 ( -9.881 6.532 1.224) 11.908 ======================= Grid point 886 (340/580) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -0.000 -1.263 8.311) 8.406 3.597 ( -0.000 -6.111 -0.368) 6.122 4.673 ( 0.000 -1.176 -0.408) 1.245 5.605 ( -0.000 -2.964 9.045) 9.518 6.723 ( 0.000 -0.156 -2.726) 2.731 7.288 ( 0.000 -7.657 -7.284) 10.568 10.106 ( 0.000 -5.775 -1.906) 6.081 10.371 ( -0.000 -16.412 0.664) 16.426 11.331 ( -0.000 17.994 14.531) 23.129 11.599 ( -0.000 -1.850 2.000) 2.725 12.679 ( 0.000 9.957 -9.442) 13.722 16.287 ( -0.000 0.549 0.834) 0.998 ======================= Grid point 887 (341/580) ======================= q-point: (-0.28 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 0.230 -2.941 7.343) 7.913 3.617 ( 10.726 -8.729 0.072) 13.829 4.721 ( 7.561 -2.265 -0.388) 7.903 5.592 ( -0.429 -5.507 9.833) 11.278 6.691 ( -1.528 -2.137 -2.617) 3.708 7.161 ( -1.970 -8.947 -8.056) 12.200 10.080 ( 3.992 -11.069 -1.989) 11.934 10.257 ( 7.116 -14.953 1.106) 16.597 11.428 ( -6.570 11.091 9.595) 16.070 11.736 ( 8.704 5.104 9.210) 13.661 12.749 ( -1.782 14.110 -10.993) 17.975 16.244 ( -6.020 0.873 0.697) 6.123 ======================= Grid point 888 (342/580) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 1.377 -4.594 4.845) 6.817 3.767 ( 17.448 -11.401 1.053) 20.869 4.864 ( 12.582 -4.445 -0.135) 13.345 5.554 ( -0.233 -7.315 9.236) 11.784 6.604 ( -2.453 -7.333 -2.743) 8.205 7.013 ( -3.458 -5.522 -7.423) 9.877 9.981 ( 2.202 -15.269 -0.475) 15.434 10.322 ( 13.410 -13.484 -0.249) 19.018 11.513 ( 3.839 7.565 6.816) 10.882 11.941 ( 2.592 7.375 13.614) 15.699 12.810 ( -4.150 16.171 -12.505) 20.859 16.120 ( -10.102 2.239 0.696) 10.371 ======================= Grid point 889 (343/580) ======================= q-point: (-0.17 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 3.583 -5.309 2.013) 6.714 3.952 ( 17.864 -14.945 1.646) 23.349 5.021 ( 11.900 -8.998 1.621) 15.007 5.528 ( 3.269 -6.330 5.755) 9.159 6.454 ( -1.622 -12.970 -2.843) 13.376 6.901 ( -4.449 0.620 -5.064) 6.769 9.892 ( 5.014 -14.622 -0.046) 15.458 10.387 ( 10.542 -14.566 -0.989) 18.008 11.744 ( 13.543 2.516 5.861) 14.969 12.039 ( -5.253 6.680 15.790) 17.931 12.834 ( -7.034 17.775 -14.711) 24.122 15.976 ( -10.560 4.780 1.331) 11.668 ======================= Grid point 905 (344/580) ======================= q-point: (-0.28 -0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -0.000 -5.330 7.490) 9.193 3.423 ( -0.000 -11.516 -0.133) 11.517 4.631 ( -0.000 -2.828 -0.425) 2.860 5.559 ( -0.000 -9.013 10.521) 13.854 6.647 ( 0.000 -8.412 -3.542) 9.128 7.071 ( 0.000 -6.102 -7.742) 9.857 9.932 ( -0.000 -10.732 -1.901) 10.899 10.039 ( -0.000 -17.013 0.717) 17.028 11.565 ( -0.000 -2.603 1.886) 3.214 11.812 ( -0.000 18.919 19.931) 27.480 12.881 ( 0.000 17.487 -12.613) 21.561 16.305 ( -0.000 1.035 0.342) 1.090 ======================= Grid point 906 (345/580) ======================= q-point: (-0.22 -0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -0.038 -8.005 5.518) 9.723 3.399 ( 11.259 -13.892 0.739) 17.897 4.657 ( 6.758 -4.041 -0.417) 7.885 5.490 ( 0.240 -12.363 10.009) 15.909 6.498 ( -0.714 -17.156 -5.175) 17.934 7.007 ( -1.653 0.445 -5.593) 5.849 9.812 ( 0.515 -14.001 -1.498) 14.090 9.973 ( 9.737 -14.690 0.397) 17.628 11.542 ( -0.023 -0.168 2.579) 2.584 12.080 ( 1.382 15.742 20.805) 26.126 12.996 ( -2.476 19.256 -13.847) 23.847 16.273 ( -5.271 2.008 0.088) 5.641 ======================= Grid point 907 (346/580) ======================= q-point: (-0.17 -0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 2.275 -9.724 2.439) 10.280 3.505 ( 17.112 -16.417 1.746) 23.778 4.756 ( 10.258 -6.564 0.128) 12.179 5.407 ( 2.322 -14.182 7.785) 16.344 6.279 ( 0.266 -21.441 -5.491) 22.135 6.978 ( -3.171 4.468 -3.302) 6.397 9.696 ( 2.261 -12.806 -1.336) 13.073 10.024 ( 12.654 -16.154 -0.019) 20.520 11.602 ( 6.048 -0.088 2.785) 6.659 12.275 ( -3.207 12.253 20.913) 24.450 13.076 ( -5.299 20.509 -15.119) 26.025 16.184 ( -8.257 3.937 0.620) 9.169 ======================= Grid point 924 (347/580) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -0.000 -11.421 5.437) 12.649 3.150 ( -0.000 -16.574 0.519) 16.583 4.558 ( -0.000 -4.297 -0.633) 4.343 5.374 ( -0.000 -17.588 9.352) 19.920 6.277 ( -0.000 -23.872 -6.611) 24.771 7.033 ( 0.000 4.605 -3.546) 5.812 9.667 ( -0.000 -15.060 -1.224) 15.109 9.755 ( -0.000 -11.659 0.645) 11.677 11.536 ( -0.000 -1.222 1.196) 1.710 12.307 ( -0.000 15.831 22.710) 27.683 13.168 ( 0.000 20.974 -13.946) 25.188 16.338 ( 0.000 2.470 -0.631) 2.549 ======================= Grid point 925 (348/580) ======================= q-point: (-0.17 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 0.186 -14.219 3.124) 14.559 3.088 ( 11.867 -18.755 1.538) 22.247 4.560 ( 5.667 -5.450 -0.593) 7.885 5.220 ( 1.879 -22.266 7.188) 23.472 6.013 ( 0.818 -25.974 -6.114) 26.696 7.064 ( -1.660 6.207 -2.004) 6.731 9.533 ( 2.198 -14.327 -1.337) 14.556 9.716 ( 6.330 -10.227 1.031) 12.071 11.545 ( 1.733 -0.076 1.176) 2.096 12.507 ( -1.623 11.511 21.177) 24.157 13.308 ( -3.032 22.382 -13.161) 26.141 16.327 ( -4.136 3.773 -0.634) 5.635 ======================= Grid point 943 (349/580) ======================= q-point: (-0.17 -0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -0.000 -18.003 3.240) 18.292 2.787 ( -0.000 -21.215 1.442) 21.264 4.458 ( -0.000 -5.324 -0.953) 5.409 4.963 ( -0.000 -30.378 4.495) 30.709 5.727 ( -0.000 -26.481 -4.544) 26.868 7.135 ( 0.000 6.368 -1.146) 6.470 9.342 ( -0.000 -17.390 -0.218) 17.391 9.623 ( -0.000 -1.975 1.112) 2.266 11.540 ( 0.000 1.233 0.305) 1.270 12.682 ( -0.000 7.210 18.014) 19.403 13.522 ( 0.000 23.877 -9.523) 25.707 16.396 ( 0.000 4.250 -1.514) 4.512 ======================= Grid point 1040 (350/580) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -0.000 0.000 20.773) 20.773 0.688 ( -0.000 0.000 20.773) 20.773 1.299 ( -0.000 0.000 39.948) 39.948 4.032 ( 0.000 -0.000 -1.665) 1.665 4.032 ( 0.000 -0.000 -1.665) 1.665 8.271 ( -0.000 0.000 0.417) 0.417 8.271 ( -0.000 0.000 0.417) 0.417 8.519 ( 0.000 -0.000 -9.352) 9.352 11.834 ( 0.000 -0.000 -0.452) 0.452 11.834 ( 0.000 -0.000 -0.452) 0.452 15.145 ( -0.000 0.000 3.068) 3.068 15.595 ( 0.000 -0.000 -1.363) 1.363 ======================= Grid point 1041 (351/580) ======================= q-point: ( 0.22 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 19.180 11.073 15.241) 26.884 1.135 ( 24.447 14.114 16.427) 32.661 1.610 ( 19.561 11.293 29.101) 36.838 4.030 ( 1.134 0.655 -2.087) 2.464 4.152 ( 9.863 5.694 -1.194) 11.451 7.590 ( -16.194 -9.350 5.648) 19.534 8.339 ( 5.196 3.000 0.760) 6.048 9.817 ( 52.891 30.536 -33.198) 69.513 11.627 ( -12.041 -6.952 -3.943) 14.452 11.798 ( -2.563 -1.480 -0.649) 3.030 15.097 ( -5.054 -2.918 4.489) 7.363 15.912 ( 19.851 11.461 -14.023) 26.871 ======================= Grid point 1042 (352/580) ======================= q-point: ( 0.28 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 22.115 12.768 10.045) 27.441 1.605 ( 14.049 8.111 20.429) 26.086 2.393 ( 39.591 22.858 9.732) 46.740 4.069 ( 2.896 1.672 -2.229) 4.019 4.449 ( 16.216 9.362 0.150) 18.725 7.382 ( -6.051 -3.494 0.490) 7.004 8.507 ( 9.394 5.424 1.088) 10.902 10.332 ( 0.542 0.313 -6.101) 6.133 11.575 ( 14.204 8.201 -25.250) 30.109 11.720 ( -4.006 -2.313 -0.813) 4.696 14.963 ( -8.313 -4.800 7.640) 12.268 16.157 ( 6.005 3.467 -16.697) 18.080 ======================= Grid point 1043 (353/580) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 14.527 8.387 14.361) 22.082 2.093 ( 21.350 12.327 6.468) 25.487 3.328 ( 40.196 23.207 2.982) 46.510 4.143 ( 4.290 2.477 -2.063) 5.366 4.861 ( 19.553 11.289 1.741) 22.645 7.264 ( -4.692 -2.709 -2.055) 5.794 8.764 ( 12.859 7.424 1.400) 14.914 10.125 ( -12.947 -7.475 4.869) 15.723 11.621 ( -4.219 -2.436 -0.968) 4.967 11.888 ( 17.041 9.838 -28.133) 34.332 14.791 ( -9.717 -5.610 12.355) 16.690 16.104 ( -4.509 -2.603 -16.394) 17.201 ======================= Grid point 1044 (354/580) ======================= q-point: ( 0.39 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 14.729 8.504 7.528) 18.599 2.565 ( 18.840 10.877 3.866) 22.096 4.189 ( 35.457 20.471 -1.145) 40.958 4.244 ( 5.089 2.938 -1.647) 6.103 5.319 ( 19.981 11.536 3.145) 23.286 7.149 ( -4.859 -2.805 -2.496) 6.140 9.085 ( 14.872 8.586 1.715) 17.258 9.897 ( -7.895 -4.558 5.664) 10.733 11.534 ( -3.010 -1.738 -1.165) 3.666 12.063 ( 5.972 3.448 -24.827) 25.767 14.599 ( -12.663 -7.311 16.730) 22.219 15.913 ( -5.704 -3.293 -16.097) 17.393 ======================= Grid point 1045 (355/580) ======================= q-point: ( 0.44 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 12.863 7.426 1.737) 14.954 2.962 ( 15.403 8.893 2.061) 17.905 4.356 ( 5.166 2.983 -1.102) 6.066 4.899 ( 28.226 16.296 -4.828) 32.948 5.763 ( 17.940 10.358 4.037) 21.106 7.035 ( -4.551 -2.628 -0.778) 5.312 9.429 ( 14.626 8.445 2.016) 17.009 9.827 ( 0.240 0.139 4.846) 4.854 11.487 ( -0.609 -0.352 -1.440) 1.602 11.999 ( -3.859 -2.228 -22.422) 22.860 14.279 ( -21.264 -12.277 14.986) 28.765 15.817 ( 2.103 1.214 -10.957) 11.223 ======================= Grid point 1046 (356/580) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 9.502 5.486 -2.847) 11.336 3.271 ( 11.591 6.692 1.003) 13.422 4.464 ( 4.563 2.635 -0.546) 5.297 5.421 ( 20.175 11.648 -8.448) 24.780 6.138 ( 13.820 7.979 4.244) 16.513 6.952 ( -2.825 -1.631 3.043) 4.461 9.738 ( 11.861 6.848 2.197) 13.871 9.938 ( 8.113 4.684 3.194) 9.898 11.500 ( 2.159 1.247 -1.738) 3.039 11.782 ( -7.982 -4.609 -19.788) 21.830 13.758 ( -27.742 -16.017 10.154) 33.605 15.914 ( 7.693 4.441 -4.281) 9.861 ======================= Grid point 1047 (357/580) ======================= q-point: ( 0.56 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 5.834 3.368 -6.192) 9.150 3.491 ( 7.662 4.424 0.531) 8.863 4.554 ( 3.470 2.003 -0.039) 4.007 5.757 ( 12.882 7.437 -11.618) 18.874 6.400 ( 7.967 4.600 3.642) 9.895 6.940 ( 0.122 0.070 8.107) 8.108 9.965 ( 7.509 4.335 2.119) 8.926 10.198 ( 13.834 7.987 1.047) 16.008 11.545 ( -6.841 -3.949 -16.788) 18.553 11.564 ( 3.806 2.198 -1.911) 4.793 13.149 ( -28.039 -16.188 8.218) 33.403 16.086 ( 7.521 4.342 -1.119) 8.756 ======================= Grid point 1048 (358/580) ======================= q-point: ( 0.61 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 2.717 1.569 -8.287) 8.861 3.620 ( 3.628 2.095 0.359) 4.205 4.618 ( 2.100 1.213 0.401) 2.458 5.939 ( 7.468 4.312 -13.530) 16.044 6.526 ( 2.718 1.569 3.307) 4.559 6.996 ( 1.083 0.625 11.862) 11.927 10.090 ( 3.043 1.757 1.800) 3.948 10.529 ( 14.004 8.085 -1.076) 16.206 11.387 ( -1.699 -0.981 -14.671) 14.801 11.640 ( 3.137 1.811 -1.892) 4.087 12.600 ( -22.003 -12.704 9.404) 27.092 16.222 ( 4.497 2.596 -0.371) 5.205 ======================= Grid point 1049 (359/580) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 0.114 0.066 -9.227) 9.228 3.655 ( -0.576 -0.332 0.198) 0.694 4.650 ( 0.600 0.347 0.756) 1.026 6.010 ( 2.978 1.719 -14.332) 14.738 6.572 ( 0.802 0.463 4.081) 4.185 7.032 ( -2.229 -1.287 13.057) 13.309 10.118 ( -0.982 -0.567 1.416) 1.814 10.689 ( -2.195 -1.267 -3.138) 4.034 11.444 ( 12.770 7.372 -14.089) 20.394 11.679 ( 0.645 0.372 -1.744) 1.896 12.284 ( -8.217 -4.744 12.148) 15.414 16.283 ( 1.185 0.684 -0.109) 1.372 ======================= Grid point 1050 (360/580) ======================= q-point: (-0.28 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -2.726 -1.574 -9.168) 9.693 3.593 ( -4.985 -2.878 -0.133) 5.757 4.650 ( -0.943 -0.544 1.002) 1.480 5.968 ( -2.739 -1.581 -13.692) 14.053 6.604 ( 0.547 0.316 4.350) 4.396 6.973 ( -6.498 -3.752 12.608) 14.672 10.056 ( -4.895 -2.826 1.093) 5.756 10.450 ( -15.078 -8.705 -3.622) 17.783 11.658 ( -1.870 -1.080 -1.512) 2.636 11.804 ( 21.104 12.185 -15.702) 28.990 12.314 ( 6.077 3.508 13.912) 15.581 16.287 ( -0.566 -0.327 0.867) 1.086 ======================= Grid point 1051 (361/580) ======================= q-point: (-0.22 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( -6.497 -3.751 -8.216) 11.126 3.428 ( -9.556 -5.517 -0.653) 11.053 4.615 ( -2.434 -1.405 1.120) 3.026 5.790 ( -9.327 -5.385 -11.453) 15.721 6.547 ( -9.941 -5.739 6.084) 12.992 6.901 ( -0.460 -0.265 8.291) 8.308 9.903 ( -8.999 -5.195 0.819) 10.423 10.078 ( -15.668 -9.046 -2.730) 18.297 11.598 ( -2.678 -1.546 -1.174) 3.308 12.214 ( 19.421 11.213 -18.543) 29.099 12.604 ( 14.575 8.415 13.877) 21.813 16.283 ( 0.062 0.036 2.502) 2.503 ======================= Grid point 1052 (362/580) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -11.115 -6.417 -6.335) 14.313 3.158 ( -14.124 -8.155 -1.199) 16.353 4.549 ( -3.721 -2.149 1.104) 4.437 5.465 ( -16.694 -9.639 -8.483) 21.061 6.208 ( -20.472 -11.820 6.922) 24.632 6.996 ( 5.547 3.203 3.597) 7.346 9.658 ( -12.805 -7.393 0.527) 14.796 9.769 ( -10.394 -6.001 -1.887) 12.150 11.546 ( -1.337 -0.772 -0.735) 1.710 12.524 ( 13.364 7.716 -18.959) 24.446 13.034 ( 19.145 11.054 11.528) 24.932 16.318 ( 2.191 1.265 3.287) 4.148 ======================= Grid point 1059 (363/580) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -0.000 16.057 15.097) 22.040 1.277 ( -0.000 25.554 19.645) 32.232 1.738 ( -0.000 23.717 26.731) 35.736 4.060 ( 0.000 3.039 -1.581) 3.425 4.111 ( 0.000 9.809 -1.808) 9.974 7.611 ( -0.000 -19.771 4.968) 20.386 8.309 ( 0.000 4.566 0.372) 4.581 9.704 ( 0.000 57.770 -28.582) 64.454 11.644 ( 0.000 -10.210 -5.083) 11.405 11.815 ( -0.000 -2.076 -0.429) 2.120 15.107 ( -0.000 -6.292 4.729) 7.871 15.858 ( 0.000 20.219 -11.851) 23.437 ======================= Grid point 1060 (364/580) ======================= q-point: ( 0.28 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 19.937 16.678 10.337) 27.973 1.609 ( 6.597 13.399 23.226) 27.613 2.250 ( 16.865 36.989 11.967) 42.377 4.076 ( -0.376 4.860 -1.858) 5.216 4.324 ( 10.557 12.952 -0.549) 16.718 7.428 ( -4.678 -7.923 1.326) 9.296 8.433 ( 6.697 6.965 0.753) 9.692 10.191 ( 12.575 13.584 -13.736) 23.051 11.513 ( -2.828 6.549 -17.382) 18.789 11.763 ( -2.676 -1.592 -1.187) 3.332 15.021 ( -3.580 -8.597 6.928) 11.606 16.054 ( 6.119 10.400 -15.370) 19.541 ======================= Grid point 1061 (365/580) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 16.631 14.322 9.594) 23.953 1.935 ( 12.861 12.763 15.648) 23.941 3.027 ( 28.232 34.359 3.663) 44.620 4.135 ( 1.554 6.458 -1.679) 6.851 4.688 ( 15.755 14.690 1.174) 21.573 7.300 ( -4.044 -4.139 -1.490) 5.975 8.663 ( 10.079 10.118 1.208) 14.332 10.201 ( -5.253 -11.952 3.436) 13.500 11.597 ( 4.384 3.952 -13.788) 14.998 11.740 ( 2.688 10.922 -15.204) 18.912 14.881 ( -5.461 -9.788 10.633) 15.449 16.094 ( -1.729 1.261 -16.142) 16.284 ======================= Grid point 1062 (366/580) ======================= q-point: ( 0.39 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 11.623 9.217 10.837) 18.370 2.420 ( 17.106 17.261 4.389) 24.694 3.830 ( 29.918 24.754 -1.373) 38.855 4.249 ( 3.501 10.527 -0.766) 11.120 5.129 ( 18.131 14.502 2.809) 23.386 7.188 ( -4.262 -3.259 -2.473) 5.908 8.971 ( 12.164 12.957 1.679) 17.851 9.977 ( -7.338 -10.568 5.970) 14.184 11.564 ( -2.255 -1.899 -1.922) 3.519 11.906 ( 7.543 8.369 -24.894) 27.325 14.723 ( -6.756 -11.254 15.094) 20.003 15.946 ( -7.217 -1.671 -16.452) 18.043 ======================= Grid point 1063 (367/580) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 11.795 7.676 4.389) 14.741 2.855 ( 13.498 16.592 2.116) 21.493 4.293 ( 8.269 5.661 -2.434) 10.313 4.635 ( 22.378 23.448 -2.682) 32.524 5.582 ( 17.865 12.756 3.975) 22.309 7.078 ( -4.234 -2.827 -1.511) 5.310 9.324 ( 12.359 14.705 2.207) 19.335 9.836 ( -1.872 -5.028 5.230) 7.492 11.513 ( -2.046 0.786 -1.449) 2.627 11.926 ( 0.511 -1.319 -22.866) 22.910 14.490 ( -13.306 -15.347 15.643) 25.637 15.788 ( -2.763 0.902 -13.287) 13.601 ======================= Grid point 1064 (368/580) ======================= q-point: ( 0.50 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 10.103 5.285 -1.010) 11.446 3.210 ( 9.399 15.363 0.805) 18.028 4.440 ( 4.078 6.523 -1.070) 7.767 5.186 ( 20.026 16.478 -6.761) 26.801 5.991 ( 15.317 9.846 4.554) 18.769 6.990 ( -3.013 -2.031 1.369) 3.884 9.671 ( 10.083 14.827 2.833) 18.153 9.859 ( 5.455 0.370 3.370) 6.423 11.504 ( -0.844 3.006 -1.550) 3.485 11.774 ( -4.537 -5.418 -20.494) 21.678 14.057 ( -22.828 -18.566 10.638) 31.289 15.809 ( 6.054 2.887 -5.960) 8.973 ======================= Grid point 1065 (369/580) ======================= q-point: ( 0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 7.364 2.776 -5.162) 9.412 3.477 ( 5.144 13.765 0.337) 14.699 4.557 ( 2.115 7.279 -0.345) 7.588 5.575 ( 14.021 10.259 -10.032) 20.061 6.308 ( 10.676 6.218 4.459) 13.135 6.958 ( -0.244 -0.905 5.631) 5.708 9.957 ( 6.010 13.454 3.262) 15.092 10.042 ( 11.735 4.866 0.835) 12.731 11.472 ( -3.081 -5.835 -8.397) 10.679 11.628 ( -1.659 4.928 -10.734) 11.927 13.477 ( -26.822 -18.027 7.352) 33.143 15.960 ( 9.469 1.409 -1.466) 9.685 ======================= Grid point 1066 (370/580) ======================= q-point: ( 0.61 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 4.537 0.743 -7.925) 9.162 3.654 ( 0.887 11.941 0.342) 11.979 4.648 ( 0.041 7.552 0.183) 7.555 5.804 ( 8.837 5.678 -12.264) 16.147 6.495 ( 4.896 2.592 3.766) 6.699 7.001 ( 2.478 -0.420 9.837) 10.154 10.150 ( 0.147 13.114 2.523) 13.355 10.334 ( 15.955 5.822 -1.148) 17.023 11.307 ( -1.719 -7.852 -11.432) 13.975 11.678 ( -0.112 8.878 -4.535) 9.970 12.897 ( -24.618 -14.332 7.275) 29.400 16.113 ( 8.443 -1.417 -0.251) 8.564 ======================= Grid point 1067 (371/580) ======================= q-point: ( 0.67 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 2.068 -0.786 -9.268) 9.529 3.741 ( -3.458 10.014 0.346) 10.600 4.706 ( -2.042 7.322 0.591) 7.625 5.914 ( 4.922 2.442 -13.403) 14.485 6.570 ( 1.573 0.357 3.820) 4.147 7.067 ( 1.220 -1.869 11.980) 12.187 10.232 ( -5.371 11.079 1.752) 12.436 10.622 ( 10.296 2.737 -2.869) 11.033 11.230 ( 5.730 -4.009 -10.758) 12.831 11.733 ( -1.129 7.293 -3.193) 8.041 12.471 ( -15.372 -6.579 9.004) 18.991 16.206 ( 5.765 -4.020 -0.226) 7.032 ======================= Grid point 1068 (372/580) ======================= q-point: (-0.28 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( -0.363 -2.213 -9.324) 9.590 3.733 ( -8.020 7.998 0.050) 11.327 4.725 ( -3.957 6.602 0.877) 7.746 5.926 ( 0.647 -0.667 -13.636) 13.668 6.604 ( 1.194 -0.243 4.208) 4.381 7.062 ( -3.387 -4.475 12.307) 13.527 10.198 ( -9.259 6.523 1.167) 11.386 10.597 ( -10.022 -4.213 -3.587) 11.448 11.390 ( 16.959 -1.090 -9.241) 19.344 11.792 ( 1.514 10.002 -5.131) 11.343 12.340 ( -1.622 1.606 11.021) 11.255 16.235 ( 3.577 -5.385 0.118) 6.466 ======================= Grid point 1069 (373/580) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( -3.459 -3.885 -8.276) 9.775 3.624 ( -12.808 5.800 -0.554) 14.071 4.706 ( -5.599 5.446 0.995) 7.875 5.824 ( -4.967 -3.979 -12.434) 13.968 6.620 ( -1.590 -2.033 4.151) 4.888 6.964 ( -5.433 -5.095 10.931) 13.227 10.052 ( -11.891 -0.642 0.701) 11.929 10.295 ( -17.432 -3.143 -2.373) 17.871 11.558 ( 5.907 -2.524 -3.631) 7.379 11.996 ( 12.289 13.770 -15.255) 23.944 12.497 ( 10.622 5.012 13.561) 17.940 16.239 ( 3.121 -5.004 1.162) 6.011 ======================= Grid point 1070 (374/580) ======================= q-point: (-0.17 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -7.609 -5.670 -6.235) 11.355 3.409 ( -17.644 3.365 -1.218) 18.004 4.650 ( -6.854 3.940 0.909) 7.958 5.594 ( -11.611 -6.844 -10.181) 16.891 6.438 ( -15.659 -9.475 6.449) 19.405 6.950 ( 3.434 0.194 5.571) 6.547 9.802 ( -12.671 -6.385 0.441) 14.196 9.980 ( -17.529 0.548 -1.027) 17.568 11.564 ( -1.115 0.201 -1.768) 2.100 12.292 ( 14.848 9.236 -20.517) 26.958 12.852 ( 17.829 7.132 14.287) 23.934 16.264 ( 4.220 -3.317 1.884) 5.688 ======================= Grid point 1078 (375/580) ======================= q-point: ( 0.28 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -0.000 22.607 9.518) 24.529 1.764 ( -0.000 11.316 24.543) 27.026 2.548 ( 0.000 43.153 6.660) 43.664 4.126 ( 0.000 4.769 -1.610) 5.034 4.383 ( 0.000 18.590 -0.048) 18.590 7.389 ( -0.000 -7.604 0.405) 7.614 8.456 ( 0.000 10.035 0.744) 10.063 10.165 ( 0.000 4.318 -5.679) 7.134 11.572 ( 0.000 13.485 -23.253) 26.881 11.751 ( -0.000 -4.036 -0.608) 4.081 14.976 ( -0.000 -11.347 8.034) 13.903 16.063 ( 0.000 10.226 -14.918) 18.086 ======================= Grid point 1079 (376/580) ======================= q-point: ( 0.33 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 14.655 21.563 6.769) 26.936 1.980 ( 4.233 9.812 20.746) 23.336 3.081 ( 11.272 41.394 1.330) 42.922 4.179 ( 1.012 6.624 -1.468) 6.859 4.655 ( 8.136 20.502 1.525) 22.110 7.305 ( -2.234 -4.946 -1.340) 5.590 8.631 ( 6.818 12.602 1.184) 14.377 10.131 ( -0.363 -11.929 3.883) 12.550 11.594 ( -2.800 8.071 -16.758) 18.810 11.748 ( 2.677 6.255 -11.800) 13.621 14.867 ( -2.166 -13.092 10.595) 16.981 16.089 ( -0.802 4.454 -15.564) 16.209 ======================= Grid point 1080 (377/580) ======================= q-point: ( 0.39 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 7.654 10.050 11.852) 17.323 2.331 ( 16.863 19.467 6.584) 26.583 3.695 ( 17.454 32.155 -2.980) 36.708 4.296 ( 3.904 10.960 -0.544) 11.647 5.039 ( 12.461 19.906 3.013) 23.677 7.211 ( -3.238 -3.614 -2.311) 5.375 8.925 ( 10.695 15.644 1.846) 19.040 9.974 ( -4.021 -13.354 6.548) 15.407 11.552 ( -0.718 -0.908 -6.194) 6.301 11.834 ( 2.988 8.994 -20.737) 22.800 14.726 ( -3.334 -14.769 13.933) 20.576 16.000 ( -5.943 0.837 -16.070) 17.155 ======================= Grid point 1081 (378/580) ======================= q-point: ( 0.44 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 8.832 7.884 6.562) 13.536 2.813 ( 14.672 20.051 3.102) 25.039 4.182 ( 12.362 14.541 -5.048) 19.742 4.579 ( 12.350 21.622 -0.608) 24.908 5.463 ( 14.166 17.397 3.936) 22.778 7.112 ( -3.685 -2.926 -1.799) 5.038 9.294 ( 11.884 18.534 2.736) 22.185 9.826 ( -2.508 -8.169 5.582) 10.207 11.526 ( 0.537 -0.177 -3.807) 3.849 11.839 ( -0.163 0.516 -20.370) 20.377 14.542 ( -6.501 -18.118 15.512) 24.722 15.837 ( -6.794 1.485 -14.481) 16.064 ======================= Grid point 1082 (379/580) ======================= q-point: ( 0.50 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 8.695 5.436 1.100) 10.314 3.229 ( 10.360 20.141 1.315) 22.688 4.421 ( 6.478 9.209 -2.997) 11.651 5.042 ( 16.066 20.075 -4.285) 26.067 5.866 ( 13.688 13.343 4.326) 19.599 7.025 ( -3.146 -2.174 0.292) 3.836 9.684 ( 9.988 18.773 4.716) 21.782 9.791 ( 3.000 -1.160 2.403) 4.015 11.545 ( 0.898 3.753 -2.704) 4.712 11.706 ( -3.598 -6.133 -19.204) 20.478 14.221 ( -14.750 -21.281 11.973) 28.528 15.755 ( 0.011 2.555 -8.471) 8.848 ======================= Grid point 1083 (380/580) ======================= q-point: ( 0.56 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 7.237 2.810 -3.286) 8.430 3.561 ( 5.466 19.847 0.488) 20.592 4.593 ( 3.950 9.870 -1.549) 10.743 5.433 ( 12.685 13.572 -7.509) 20.037 6.203 ( 11.423 8.537 4.552) 14.970 6.974 ( -1.282 -1.468 3.503) 4.009 9.879 ( 8.853 1.110 2.178) 9.184 10.056 ( 6.570 21.161 2.927) 22.350 11.470 ( -7.083 -7.077 -11.587) 15.314 11.636 ( 3.182 6.481 -7.554) 10.449 13.730 ( -21.809 -20.605 7.472) 30.920 15.815 ( 6.710 0.075 -2.665) 7.220 ======================= Grid point 1084 (381/580) ======================= q-point: ( 0.61 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 5.206 0.706 -6.354) 8.245 3.803 ( 0.474 18.996 0.375) 19.006 4.736 ( 1.239 11.034 -0.513) 11.115 5.683 ( 8.332 7.898 -10.146) 15.321 6.438 ( 7.106 4.010 4.201) 9.177 6.982 ( 1.781 -1.496 7.219) 7.584 10.100 ( 14.207 3.223 -0.977) 14.601 10.342 ( 1.045 21.569 3.147) 21.823 11.249 ( -4.930 -8.036 -9.759) 13.569 11.743 ( 1.691 9.890 -5.528) 11.456 13.178 ( -23.261 -16.719 5.682) 29.204 15.930 ( 9.058 -4.034 -0.317) 9.921 ======================= Grid point 1085 (382/580) ======================= q-point: ( 0.67 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 3.111 -0.642 -8.005) 8.612 3.950 ( -4.372 17.561 0.433) 18.102 4.843 ( -1.939 11.919 0.323) 12.080 5.812 ( 5.096 3.557 -11.814) 13.349 6.551 ( 2.665 0.623 3.462) 4.413 7.041 ( 3.362 -2.829 10.198) 11.104 10.387 ( 14.921 4.014 -3.127) 15.764 10.514 ( -5.612 18.694 1.093) 19.549 11.116 ( 0.602 -4.261 -5.977) 7.365 11.818 ( -1.648 7.681 -4.134) 8.878 12.708 ( -18.050 -9.161 5.655) 21.017 16.023 ( 8.498 -7.645 -0.050) 11.431 ======================= Grid point 1086 (383/580) ======================= q-point: (-0.28 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 0.952 -1.483 -8.297) 8.483 3.999 ( -9.101 15.541 0.182) 18.011 4.903 ( -5.165 12.089 0.934) 13.179 5.850 ( 2.275 -0.083 -12.599) 12.803 6.589 ( 1.355 -0.960 3.415) 3.797 7.078 ( 0.648 -5.192 11.232) 12.391 10.478 ( -12.764 9.815 -0.049) 16.102 10.615 ( 6.016 0.397 -4.980) 7.820 11.173 ( 6.751 6.391 -4.182) 10.194 11.826 ( -0.291 3.177 -2.090) 3.814 12.467 ( -7.950 0.569 5.580) 9.730 16.069 ( 7.147 -9.591 -0.117) 11.961 ======================= Grid point 1087 (384/580) ======================= q-point: (-0.22 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( -1.687 -2.166 -7.376) 7.870 3.944 ( -13.806 12.919 -0.481) 18.914 4.909 ( -7.954 11.181 1.135) 13.769 5.800 ( -1.455 -3.247 -12.151) 12.662 6.613 ( 1.327 -1.576 3.179) 3.788 7.026 ( -3.866 -7.103 10.866) 13.545 10.277 ( -14.938 -1.013 -0.845) 14.996 10.556 ( -11.838 2.896 -2.099) 12.367 11.393 ( 10.138 8.431 -5.521) 14.295 11.917 ( 6.935 6.019 -6.001) 10.970 12.462 ( 2.270 3.355 8.298) 9.234 16.089 ( 6.529 -9.332 0.268) 11.392 ======================= Grid point 1088 (385/580) ======================= q-point: (-0.17 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -5.216 -2.751 -5.392) 7.991 3.780 ( -18.445 9.802 -1.279) 20.927 4.860 ( -9.921 8.984 0.778) 13.407 5.654 ( -6.525 -5.038 -10.360) 13.240 6.571 ( -6.436 -5.843 3.808) 9.490 6.934 ( -1.306 -4.412 8.023) 9.248 9.980 ( -15.163 -5.419 -0.224) 16.104 10.321 ( -18.595 4.239 -0.174) 19.073 11.569 ( 2.744 6.842 -4.264) 8.516 12.093 ( 10.308 6.799 -16.042) 20.244 12.677 ( 14.345 3.837 13.511) 20.076 16.121 ( 6.972 -7.345 0.557) 10.142 ======================= Grid point 1097 (386/580) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 0.000 23.579 6.394) 24.430 2.104 ( -0.000 8.907 18.561) 20.587 3.403 ( 0.000 41.493 -1.655) 41.526 4.219 ( 0.000 5.827 -1.727) 6.078 4.824 ( 0.000 25.240 2.830) 25.399 7.272 ( 0.000 -4.429 -1.807) 4.783 8.708 ( 0.000 14.936 1.368) 14.999 10.030 ( -0.000 -13.172 6.679) 14.768 11.656 ( -0.000 -4.861 -0.939) 4.951 11.715 ( 0.000 15.044 -27.651) 31.479 14.782 ( -0.000 -15.376 11.917) 19.453 16.092 ( 0.000 4.407 -15.411) 16.029 ======================= Grid point 1098 (387/580) ======================= q-point: ( 0.39 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 5.041 13.477 8.883) 16.910 2.300 ( 10.129 16.950 9.838) 22.061 3.828 ( 5.547 35.237 -4.338) 35.933 4.312 ( 4.547 8.129 -1.275) 9.401 5.133 ( 4.785 26.157 3.772) 26.857 7.210 ( -1.741 -3.575 -2.274) 4.581 8.934 ( 7.352 17.127 1.859) 18.731 9.917 ( -1.567 -12.188 7.949) 14.635 11.557 ( -3.620 -2.001 -5.541) 6.914 11.789 ( 3.431 6.366 -21.017) 22.227 14.654 ( -1.370 -17.458 13.785) 22.286 16.048 ( -3.606 2.972 -15.490) 16.179 ======================= Grid point 1099 (388/580) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 5.380 7.489 7.399) 11.823 2.759 ( 15.952 20.275 4.156) 26.131 4.183 ( 5.350 20.409 -5.745) 21.866 4.566 ( 11.754 17.012 -0.854) 20.695 5.497 ( 7.170 24.042 3.840) 25.381 7.132 ( -2.762 -2.814 -1.894) 4.374 9.289 ( 11.957 19.687 2.744) 23.197 9.807 ( -2.254 -7.848 6.789) 10.619 11.487 ( -0.047 -1.400 -6.441) 6.591 11.787 ( 0.225 -0.179 -17.101) 17.103 14.483 ( -3.145 -20.376 14.768) 25.360 15.930 ( -7.021 2.884 -14.359) 16.242 ======================= Grid point 1100 (389/580) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 6.341 5.299 2.624) 8.670 3.228 ( 14.353 20.254 2.419) 24.942 4.406 ( 5.434 12.651 -4.634) 14.528 4.971 ( 14.302 18.302 -2.208) 23.332 5.852 ( 7.837 19.334 3.314) 21.123 7.056 ( -2.920 -1.956 -0.350) 3.532 9.710 ( 9.933 16.702 6.650) 20.539 9.757 ( 2.588 2.459 1.470) 3.861 11.486 ( 3.885 -0.674 -9.175) 9.986 11.684 ( -3.887 -3.291 -11.755) 12.811 14.229 ( -7.699 -23.400 12.779) 27.751 15.803 ( -5.700 3.232 -10.326) 12.230 ======================= Grid point 1101 (390/580) ======================= q-point: ( 0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 6.011 2.941 -1.318) 6.820 3.643 ( 9.942 21.006 1.294) 23.276 4.601 ( 5.630 11.137 -3.367) 12.925 5.348 ( 12.082 14.168 -3.985) 19.041 6.151 ( 7.593 12.848 3.169) 15.257 6.999 ( -2.185 -1.305 1.944) 3.203 9.780 ( 4.281 0.855 1.800) 4.722 10.153 ( 9.984 23.234 4.506) 25.687 11.443 ( -2.622 -7.337 -15.920) 17.724 11.628 ( 2.324 5.846 -2.649) 6.826 13.848 ( -14.269 -23.504 8.587) 28.806 15.747 ( -0.269 0.823 -4.763) 4.841 ======================= Grid point 1102 (391/580) ======================= q-point: ( 0.61 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 4.886 1.054 -4.156) 6.501 3.975 ( 4.094 21.702 0.784) 22.098 4.790 ( 4.859 11.139 -2.037) 12.322 5.614 ( 7.378 9.972 -6.530) 14.019 6.378 ( 6.675 6.291 3.686) 9.886 6.972 ( -0.414 -1.775 4.476) 4.832 9.919 ( 9.702 3.161 -1.565) 10.323 10.530 ( 5.593 23.234 5.730) 24.575 11.241 ( -6.184 -6.836 -10.760) 14.168 11.768 ( 4.791 9.922 -4.843) 12.035 13.374 ( -18.410 -19.955 5.447) 27.691 15.763 ( 4.624 -4.121 -1.137) 6.298 ======================= Grid point 1103 (392/580) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 3.439 -0.040 -5.826) 6.766 4.205 ( -2.152 21.425 0.573) 21.540 4.964 ( 2.629 12.113 -0.514) 12.405 5.751 ( 3.082 6.008 -9.020) 11.267 6.516 ( 3.788 1.284 3.288) 5.178 6.983 ( 2.521 -3.685 7.377) 8.623 10.148 ( 13.993 3.850 -4.466) 15.184 10.822 ( -2.285 23.273 3.877) 23.704 11.063 ( -1.979 -5.185 -4.325) 7.036 11.903 ( 0.302 9.764 -5.026) 10.986 12.917 ( -17.007 -12.931 3.878) 21.714 15.799 ( 7.204 -9.051 0.009) 11.567 ======================= Grid point 1104 (393/580) ======================= q-point: ( 0.72 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 1.815 -0.442 -6.370) 6.638 4.322 ( -7.974 19.657 0.223) 21.214 5.104 ( -1.513 13.869 1.115) 13.996 5.784 ( 0.669 1.475 -10.811) 10.932 6.563 ( 1.477 -1.513 2.405) 3.203 7.020 ( 3.372 -6.215 9.435) 11.790 10.411 ( 14.433 2.899 -6.545) 16.111 10.770 ( -13.323 3.861 -3.854) 14.397 11.209 ( 5.989 16.372 6.156) 18.488 11.895 ( -6.511 2.822 -3.200) 7.784 12.626 ( -9.499 -2.170 2.055) 9.958 15.826 ( 8.230 -12.003 0.017) 14.553 ======================= Grid point 1105 (394/580) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -0.183 -0.423 -5.858) 5.876 4.319 ( -13.183 16.498 -0.422) 21.122 5.179 ( -7.186 14.967 2.069) 16.731 5.739 ( -0.341 -3.050 -11.278) 11.688 6.575 ( 1.724 -2.372 1.984) 3.541 7.016 ( 0.335 -8.253 9.665) 12.714 10.510 ( -13.218 -1.273 -4.659) 14.073 10.618 ( 4.182 1.543 -3.707) 5.798 11.483 ( -0.677 23.397 2.966) 23.594 11.821 ( 2.819 -2.200 -1.745) 3.979 12.528 ( -4.041 1.972 1.773) 4.833 15.851 ( 8.821 -12.017 -0.020) 14.908 ======================= Grid point 1106 (395/580) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -2.882 -0.152 -4.367) 5.235 4.195 ( -17.856 12.380 -1.165) 21.759 5.156 ( -12.144 12.314 0.973) 17.322 5.648 ( -1.988 -3.950 -9.263) 10.264 6.579 ( 0.250 -3.629 1.561) 3.958 6.941 ( -2.453 -8.021 8.601) 12.014 10.204 ( -16.897 -3.493 -1.882) 17.356 10.600 ( -8.370 1.670 -1.053) 8.599 11.645 ( -1.538 18.424 -6.046) 19.451 11.950 ( 8.490 2.175 -4.926) 10.054 12.554 ( 6.241 0.198 7.938) 10.099 15.898 ( 9.376 -9.617 -0.145) 13.432 ======================= Grid point 1116 (396/580) ======================= q-point: ( 0.39 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -0.000 7.295 11.172) 13.343 2.415 ( 0.000 22.212 4.553) 22.674 4.117 ( 0.000 33.673 -4.806) 34.015 4.325 ( 0.000 6.161 -1.830) 6.427 5.382 ( 0.000 28.750 3.932) 29.017 7.184 ( 0.000 -3.153 -2.276) 3.888 9.046 ( 0.000 18.119 1.934) 18.221 9.854 ( -0.000 -8.988 8.945) 12.681 11.558 ( 0.000 -4.248 -1.281) 4.437 11.720 ( 0.000 3.216 -23.697) 23.915 14.530 ( -0.000 -19.759 14.055) 24.248 16.064 ( 0.000 3.899 -14.817) 15.322 ======================= Grid point 1117 (397/580) ======================= q-point: ( 0.44 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 2.281 6.329 7.126) 9.800 2.735 ( 10.686 20.278 3.937) 23.257 4.328 ( -1.508 16.095 -4.232) 16.710 4.533 ( 10.262 18.705 -2.249) 21.453 5.692 ( 2.044 27.606 3.094) 27.854 7.136 ( -1.455 -2.371 -1.866) 3.350 9.308 ( 8.506 19.226 2.319) 21.151 9.803 ( -1.570 -4.659 8.223) 9.581 11.475 ( -3.046 -2.536 -5.368) 6.673 11.689 ( 2.985 -2.639 -16.756) 17.223 14.361 ( -1.488 -22.319 13.799) 26.282 16.018 ( -4.388 4.319 -13.440) 14.783 ======================= Grid point 1118 (398/580) ======================= q-point: ( 0.50 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 3.850 4.670 3.421) 6.952 3.166 ( 15.592 18.675 2.898) 24.501 4.456 ( 2.339 12.437 -4.123) 13.310 4.901 ( 12.444 16.827 -1.534) 20.985 5.990 ( 2.370 23.431 1.661) 23.610 7.082 ( -2.234 -1.197 -0.708) 2.631 9.709 ( 14.056 20.491 3.460) 25.089 9.770 ( -2.000 -0.163 5.265) 5.634 11.397 ( 0.079 -3.034 -9.244) 9.730 11.644 ( 0.895 -3.341 -9.583) 10.188 14.131 ( -3.969 -24.804 12.114) 27.888 15.919 ( -7.117 4.371 -10.506) 13.422 ======================= Grid point 1119 (399/580) ======================= q-point: ( 0.56 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 4.352 2.817 0.429) 5.201 3.623 ( 15.644 18.331 1.985) 24.181 4.619 ( 4.208 12.147 -4.015) 13.468 5.253 ( 12.820 11.909 -0.944) 17.523 6.228 ( 1.834 16.950 0.649) 17.061 7.036 ( -2.518 -0.066 0.856) 2.660 9.772 ( -0.379 2.967 2.288) 3.765 10.180 ( 14.767 21.457 4.318) 26.403 11.334 ( 0.981 -5.880 -12.571) 13.913 11.629 ( 1.866 2.430 -3.536) 4.679 13.821 ( -7.871 -25.568 9.025) 28.234 15.807 ( -6.471 2.669 -6.297) 9.415 ======================= Grid point 1120 (400/580) ======================= q-point: ( 0.61 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 4.026 1.345 -1.760) 4.595 4.050 ( 12.090 19.286 1.460) 22.809 4.800 ( 4.904 11.450 -3.476) 12.932 5.546 ( 10.334 8.419 -1.787) 13.448 6.389 ( 1.770 9.484 1.169) 9.718 6.998 ( -2.607 -0.249 2.150) 3.388 9.839 ( 3.697 4.967 -1.140) 6.296 10.622 ( 10.947 19.374 6.818) 23.273 11.228 ( -2.361 -4.053 -11.456) 12.379 11.745 ( 6.499 8.079 -3.204) 10.852 13.438 ( -11.771 -23.190 5.922) 26.672 15.715 ( -3.311 -1.613 -2.539) 4.473 ======================= Grid point 1121 (401/580) ======================= q-point: ( 0.67 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 3.238 0.566 -3.169) 4.566 4.402 ( 5.299 20.911 1.148) 21.603 4.983 ( 5.765 9.739 -2.318) 11.553 5.742 ( 4.738 7.189 -4.204) 9.581 6.487 ( 2.190 2.534 2.429) 4.137 6.957 ( -1.466 -2.586 3.582) 4.654 9.987 ( 8.485 5.785 -3.722) 10.923 10.953 ( 7.705 8.071 8.303) 13.908 11.123 ( -5.939 7.337 -7.854) 12.279 11.945 ( 5.735 11.467 -4.596) 13.620 13.039 ( -12.907 -17.273 3.723) 21.881 15.644 ( 0.583 -7.147 -0.492) 7.187 ======================= Grid point 1122 (402/580) ======================= q-point: ( 0.72 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 2.213 0.463 -3.857) 4.471 4.626 ( -3.554 20.887 0.502) 21.193 5.174 ( 6.702 8.794 -0.346) 11.062 5.811 ( -2.240 6.264 -6.787) 9.503 6.526 ( 1.473 -2.255 1.976) 3.341 6.933 ( 1.774 -6.118 6.026) 8.769 10.203 ( 11.822 5.524 -5.364) 14.108 10.946 ( -6.893 -0.822 -4.581) 8.317 11.279 ( 5.640 13.723 8.614) 17.156 12.061 ( -4.706 10.554 -3.970) 12.219 12.740 ( -8.165 -6.827 1.203) 10.711 15.594 ( 4.448 -11.412 0.090) 12.249 ======================= Grid point 1123 (403/580) ======================= q-point: (-0.22 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 0.929 0.862 -3.842) 4.046 4.689 ( -10.855 17.203 -0.331) 20.344 5.370 ( 4.327 10.740 1.917) 11.737 5.743 ( -7.610 2.591 -8.477) 11.683 6.522 ( 1.664 -3.787 0.671) 4.191 6.928 ( 3.000 -8.868 7.592) 12.053 10.434 ( 11.211 4.401 -6.435) 13.655 10.762 ( -13.130 0.643 -3.330) 13.561 11.546 ( 11.575 3.785 9.012) 15.150 11.986 ( -13.567 13.634 -1.882) 19.326 12.619 ( -4.691 0.281 -1.487) 4.929 15.582 ( 8.001 -12.155 0.061) 14.552 ======================= Grid point 1124 (404/580) ======================= q-point: (-0.17 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -0.840 1.592 -3.111) 3.594 4.599 ( -16.071 11.576 -0.926) 19.828 5.502 ( -10.736 15.362 3.030) 18.985 5.586 ( -0.208 -4.638 -8.805) 9.954 6.522 ( 2.301 -3.748 -0.087) 4.399 6.897 ( 0.866 -9.444 7.335) 11.989 10.458 ( -15.197 0.336 -6.113) 16.384 10.631 ( 2.882 2.006 -0.297) 3.524 11.721 ( 7.243 -6.197 -3.094) 10.022 12.001 ( -5.464 24.664 4.445) 25.650 12.529 ( -3.126 -3.229 0.388) 4.511 15.633 ( 10.352 -9.265 -0.227) 13.894 ======================= Grid point 1135 (405/580) ======================= q-point: ( 0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -0.000 4.973 5.669) 7.541 2.848 ( 0.000 19.315 3.278) 19.591 4.431 ( 0.000 5.838 -1.813) 6.113 4.656 ( 0.000 24.839 -3.638) 25.104 5.955 ( 0.000 26.836 1.617) 26.884 7.124 ( 0.000 -1.377 -1.560) 2.080 9.421 ( 0.000 18.401 2.120) 18.523 9.822 ( -0.000 -0.282 8.465) 8.470 11.483 ( 0.000 -2.217 -1.398) 2.621 11.544 ( 0.000 -5.681 -18.236) 19.101 14.191 ( -0.000 -24.238 12.405) 27.228 16.061 ( 0.000 5.189 -11.845) 12.932 ======================= Grid point 1136 (406/580) ======================= q-point: ( 0.50 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 1.689 3.697 3.651) 5.464 3.125 ( 9.977 17.212 2.668) 20.072 4.503 ( 2.499 7.245 -2.344) 8.015 4.914 ( 5.418 18.780 -1.655) 19.616 6.205 ( 0.129 22.784 -0.213) 22.785 7.104 ( -1.172 0.378 -0.815) 1.477 9.691 ( 10.048 17.893 2.103) 20.628 9.847 ( -2.256 3.735 6.804) 8.083 11.360 ( -3.566 -5.339 -9.713) 11.643 11.533 ( 4.602 -2.739 -6.312) 8.277 13.970 ( -1.861 -25.887 10.350) 27.941 16.036 ( -4.647 5.312 -9.406) 11.760 ======================= Grid point 1137 (407/580) ======================= q-point: ( 0.56 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 2.680 2.400 1.963) 4.098 3.517 ( 15.947 15.370 1.996) 22.238 4.641 ( 5.102 9.331 -3.038) 11.060 5.181 ( 8.357 12.179 0.449) 14.778 6.389 ( -0.779 16.472 -1.568) 16.565 7.089 ( -2.162 2.462 0.022) 3.277 9.863 ( -3.563 6.498 3.252) 8.092 10.107 ( 16.904 17.469 2.737) 24.463 11.234 ( -0.688 -6.516 -8.640) 10.843 11.582 ( 4.246 1.462 -3.383) 5.622 13.694 ( -4.184 -26.416 7.775) 27.853 15.948 ( -7.924 4.248 -6.299) 10.978 ======================= Grid point 1138 (408/580) ======================= q-point: ( 0.61 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 2.961 1.417 0.685) 3.353 3.957 ( 17.819 14.464 1.530) 23.001 4.822 ( 5.286 11.179 -3.444) 12.836 5.433 ( 10.217 6.487 1.666) 12.216 6.490 ( -1.632 9.660 -1.423) 9.900 7.070 ( -3.714 3.164 0.214) 4.884 9.887 ( -2.106 7.829 -0.001) 8.107 10.577 ( 16.533 14.813 4.757) 22.702 11.160 ( 1.644 -3.228 -8.538) 9.275 11.694 ( 6.223 5.513 -1.630) 8.472 13.373 ( -6.568 -24.822 5.309) 26.219 15.815 ( -9.021 1.453 -3.296) 9.713 ======================= Grid point 1139 (409/580) ======================= q-point: ( 0.67 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 2.729 0.965 -0.295) 2.909 4.396 ( 16.276 14.671 1.409) 21.958 4.998 ( 3.445 11.143 -3.173) 12.087 5.660 ( 10.179 3.618 1.071) 10.856 6.522 ( -1.777 3.605 0.122) 4.021 7.016 ( -5.386 1.197 0.006) 5.517 9.958 ( 1.872 8.360 -1.971) 8.791 10.890 ( 7.201 0.669 7.038) 10.091 11.215 ( 4.100 11.474 -8.109) 14.636 11.895 ( 9.970 8.535 -1.762) 13.242 13.041 ( -7.832 -20.210 3.577) 21.968 15.656 ( -7.902 -2.867 -1.201) 8.492 ======================= Grid point 1140 (410/580) ======================= q-point: ( 0.72 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 2.219 1.052 -1.044) 2.668 4.785 ( 10.217 16.725 1.387) 19.648 5.128 ( 2.989 6.769 -2.174) 7.712 5.843 ( 6.004 5.083 -1.321) 7.977 6.504 ( -1.529 -2.077 1.525) 2.996 6.920 ( -4.623 -2.636 0.776) 5.378 10.102 ( 6.245 8.359 -2.657) 10.767 10.956 ( 2.409 -2.498 1.632) 3.835 11.364 ( 0.142 9.920 0.090) 9.921 12.149 ( 7.441 11.404 -2.845) 13.911 12.771 ( -5.652 -11.471 2.213) 12.978 15.496 ( -4.422 -7.193 -0.203) 8.446 ======================= Grid point 1141 (411/580) ======================= q-point: ( 0.78 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 1.549 1.597 -1.521) 2.695 5.005 ( -6.241 16.797 0.248) 17.920 5.269 ( 11.443 1.196 -0.640) 11.523 5.927 ( -4.263 9.205 -3.037) 10.589 6.450 ( 0.460 -6.522 0.767) 6.583 6.836 ( -0.456 -6.605 3.204) 7.356 10.303 ( 8.807 7.845 -3.044) 12.181 10.940 ( -5.358 2.515 -2.698) 6.505 11.416 ( 3.360 -4.068 5.097) 7.336 12.285 ( -4.136 12.119 -0.111) 12.806 12.665 ( -1.356 -1.140 -1.133) 2.103 15.388 ( 1.567 -8.769 0.069) 8.908 ======================= Grid point 1142 (412/580) ======================= q-point: (-0.17 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 0.624 2.486 -1.625) 3.034 4.942 ( -13.452 7.346 -0.264) 15.329 5.462 ( 7.913 0.328 -3.373) 8.608 5.864 ( -12.888 12.050 0.614) 17.655 6.424 ( 3.842 -5.799 -1.547) 7.126 6.794 ( 2.247 -8.661 4.890) 10.197 10.506 ( 6.871 6.888 -5.093) 10.982 10.784 ( -14.421 3.494 -1.046) 14.875 11.475 ( 10.266 -10.603 2.658) 14.996 12.317 ( -4.815 11.956 4.344) 13.602 12.597 ( -7.111 0.254 -3.583) 7.967 15.396 ( 7.847 -5.785 -0.062) 9.749 ======================= Grid point 1154 (413/580) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -0.000 2.704 3.570) 4.479 3.205 ( 0.000 15.233 2.188) 15.390 4.525 ( 0.000 4.993 -1.636) 5.254 5.048 ( 0.000 17.083 -0.582) 17.093 6.405 ( 0.000 18.459 -2.007) 18.568 7.127 ( 0.000 2.956 -0.724) 3.044 9.768 ( 0.000 15.258 1.677) 15.350 9.949 ( -0.000 7.708 6.443) 10.046 11.294 ( 0.000 -8.695 -11.586) 14.485 11.459 ( 0.000 0.726 -1.010) 1.244 13.761 ( -0.000 -26.563 7.975) 27.734 16.102 ( 0.000 5.576 -7.495) 9.342 ======================= Grid point 1155 (414/580) ======================= q-point: ( 0.56 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 1.190 1.871 3.422) 4.078 3.435 ( 9.863 12.869 1.647) 16.297 4.611 ( 4.996 5.352 -1.814) 7.543 5.219 ( 2.534 12.761 1.307) 13.076 6.540 ( -0.919 12.287 -3.066) 12.697 7.157 ( -1.265 5.689 -0.840) 5.888 10.011 ( 11.307 13.391 0.999) 17.555 10.025 ( -3.485 10.066 4.543) 11.580 11.160 ( -1.401 -7.744 -6.697) 10.334 11.513 ( 4.354 2.286 -1.405) 5.115 13.509 ( -1.864 -26.292 5.410) 26.907 16.089 ( -5.119 4.943 -5.159) 8.790 ======================= Grid point 1156 (415/580) ======================= q-point: ( 0.61 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 1.846 1.324 3.186) 3.912 3.784 ( 16.677 10.740 1.193) 19.872 4.782 ( 8.677 6.990 -2.371) 11.392 5.385 ( 4.289 7.613 3.261) 9.327 6.596 ( -1.990 6.759 -2.827) 7.592 7.177 ( -3.298 6.397 -1.612) 7.376 10.053 ( -5.912 10.982 1.425) 12.553 10.402 ( 18.881 10.769 1.488) 21.787 11.074 ( 1.195 -4.716 -3.753) 6.144 11.633 ( 6.203 4.436 -0.437) 7.639 13.229 ( -3.482 -24.419 3.160) 24.867 15.992 ( -9.432 3.270 -2.915) 10.399 ======================= Grid point 1157 (416/580) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 2.028 1.125 2.686) 3.549 4.197 ( 19.867 8.988 0.975) 21.828 5.005 ( 8.340 9.547 -2.950) 13.015 5.537 ( 6.752 2.294 4.608) 8.490 6.593 ( -2.829 2.725 -1.604) 4.243 7.144 ( -6.298 4.425 -2.714) 8.161 10.071 ( -4.219 10.885 0.174) 11.675 10.761 ( 11.489 -0.074 4.879) 12.483 11.151 ( 10.862 8.354 -6.753) 15.276 11.797 ( 7.935 4.150 1.228) 9.038 12.950 ( -4.176 -20.055 1.803) 20.564 15.820 ( -12.129 0.666 -1.267) 12.213 ======================= Grid point 1158 (417/580) ======================= q-point: ( 0.72 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 1.923 1.265 1.883) 2.974 4.620 ( 20.126 7.141 0.933) 21.375 5.196 ( 2.357 11.075 -2.310) 11.557 5.703 ( 10.832 -1.064 3.866) 11.550 6.545 ( -3.808 -0.524 -0.075) 3.845 7.031 ( -8.788 1.059 -3.378) 9.474 10.140 ( -0.055 10.716 0.639) 10.735 10.857 ( 5.311 -5.687 4.249) 8.866 11.433 ( 5.341 13.170 -6.106) 15.468 12.009 ( 14.397 2.003 0.654) 14.550 12.734 ( -2.904 -11.985 1.837) 12.468 15.599 ( -12.325 -2.070 -0.400) 12.504 ======================= Grid point 1159 (418/580) ======================= q-point: ( 0.78 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 1.731 1.747 0.917) 2.625 5.003 ( 18.126 3.003 0.425) 18.378 5.266 ( -5.255 9.801 0.030) 11.121 5.908 ( 12.006 0.874 0.887) 12.070 6.448 ( -5.756 -3.406 0.933) 6.753 6.866 ( -7.846 -2.331 -2.629) 8.597 10.281 ( 3.888 10.404 1.221) 11.174 10.915 ( 6.277 -4.094 2.209) 7.813 11.456 ( -7.857 1.878 -2.733) 8.528 12.295 ( 12.653 4.228 -2.149) 13.513 12.646 ( 0.495 -3.297 2.489) 4.160 15.388 ( -8.448 -3.035 -0.085) 8.977 ======================= Grid point 1160 (419/580) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 1.479 2.562 -0.000) 2.958 5.138 ( -3.614 -6.260 -0.000) 7.228 5.345 ( 5.651 9.787 0.000) 11.301 6.101 ( 4.371 7.570 -0.000) 8.741 6.301 ( -4.063 -7.038 -0.000) 8.127 6.733 ( -2.808 -4.864 -0.000) 5.617 10.467 ( 5.622 9.738 -0.000) 11.244 10.987 ( 1.081 1.873 0.000) 2.163 11.277 ( -5.129 -8.883 0.000) 10.258 12.410 ( -0.467 -0.809 -0.000) 0.935 12.678 ( 1.119 1.938 -0.000) 2.238 15.294 ( -0.036 -0.063 -0.000) 0.072 ======================= Grid point 1174 (420/580) ======================= q-point: ( 0.56 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -0.000 1.436 4.757) 4.969 3.467 ( 0.000 10.306 1.170) 10.372 4.601 ( 0.000 3.771 -1.339) 4.002 5.325 ( 0.000 10.811 2.699) 11.143 6.633 ( 0.000 7.497 -3.664) 8.345 7.231 ( 0.000 7.702 -1.948) 7.944 10.021 ( 0.000 9.669 0.593) 9.687 10.192 ( -0.000 13.201 3.925) 13.772 11.076 ( 0.000 -7.749 -4.118) 8.776 11.496 ( 0.000 3.142 -0.034) 3.142 13.287 ( -0.000 -25.018 2.705) 25.164 16.167 ( 0.000 4.691 -3.507) 5.857 ======================= Grid point 1175 (421/580) ======================= q-point: ( 0.61 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 0.793 1.190 5.611) 5.790 3.645 ( 10.044 7.729 0.745) 12.695 4.688 ( 6.575 3.647 -1.387) 7.646 5.436 ( 0.862 7.687 4.397) 8.898 6.665 ( -1.211 4.080 -3.445) 5.475 7.282 ( -1.866 7.127 -3.268) 8.059 10.210 ( 11.830 6.641 0.388) 13.572 10.290 ( -5.089 14.111 1.870) 15.117 11.001 ( 0.588 -5.890 -0.169) 5.922 11.576 ( 4.976 3.918 0.550) 6.357 13.047 ( -1.483 -22.181 0.268) 22.232 16.151 ( -5.750 3.649 -1.877) 7.064 ======================= Grid point 1176 (422/580) ======================= q-point: ( 0.67 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 1.194 1.084 5.621) 5.848 3.947 ( 17.364 5.299 0.531) 18.163 4.880 ( 11.838 4.420 -1.829) 12.768 5.529 ( 1.116 4.061 6.124) 7.432 6.653 ( -2.394 1.834 -2.682) 4.036 7.272 ( -4.665 4.541 -4.627) 7.987 10.297 ( -7.708 12.359 1.984) 14.700 10.530 ( 16.483 1.357 0.633) 16.551 11.021 ( 7.244 0.968 -0.236) 7.312 11.720 ( 6.375 3.214 1.831) 7.371 12.819 ( -2.039 -17.209 -1.249) 17.375 16.033 ( -10.918 2.100 -0.689) 11.140 ======================= Grid point 1177 (423/580) ======================= q-point: ( 0.72 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 1.367 1.074 4.754) 5.062 4.317 ( 20.894 2.746 0.575) 21.081 5.144 ( 13.357 6.350 -2.702) 15.034 5.594 ( 1.981 -0.434 7.619) 7.885 6.605 ( -3.553 0.191 -1.597) 3.900 7.176 ( -7.984 1.262 -5.730) 9.908 10.306 ( -5.321 11.326 3.537) 13.003 10.699 ( 7.366 -7.489 3.064) 10.942 11.329 ( 19.681 12.247 -5.359) 23.792 11.828 ( 4.732 -2.731 2.964) 6.216 12.657 ( -0.588 -9.606 -0.829) 9.660 15.827 ( -14.386 0.687 -0.117) 14.403 ======================= Grid point 1178 (424/580) ======================= q-point: (-0.22 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 1.548 1.261 3.296) 3.854 4.684 ( 20.401 -0.977 0.620) 20.434 5.389 ( 4.865 9.784 -1.833) 11.079 5.667 ( 9.600 -6.187 6.438) 13.111 6.527 ( -4.956 -0.725 -0.260) 5.016 6.998 ( -10.149 -1.359 -6.055) 11.896 10.374 ( -0.870 10.305 5.446) 11.687 10.735 ( 6.789 -9.163 2.004) 11.579 11.622 ( -4.642 9.902 -5.859) 12.407 11.974 ( 22.363 -3.425 0.360) 22.626 12.604 ( 1.119 -4.159 1.605) 4.596 15.582 ( -14.469 0.743 0.004) 14.488 ======================= Grid point 1193 (425/580) ======================= q-point: ( 0.61 0.61 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -0.000 1.075 7.473) 7.550 3.620 ( 0.000 4.906 0.315) 4.916 4.653 ( 0.000 2.300 -1.016) 2.514 5.516 ( -0.000 6.010 5.848) 8.386 6.695 ( 0.000 2.432 -3.593) 4.339 7.347 ( 0.000 5.417 -4.708) 7.177 10.152 ( 0.000 3.827 -0.677) 3.886 10.494 ( 0.000 14.428 1.758) 14.535 10.943 ( -0.000 -5.249 3.799) 6.479 11.566 ( -0.000 3.163 1.121) 3.356 12.857 ( -0.000 -18.006 -2.592) 18.191 16.230 ( 0.000 3.068 -0.758) 3.160 ======================= Grid point 1194 (426/580) ======================= q-point: ( 0.67 0.61 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 0.391 0.871 8.115) 8.171 3.745 ( 10.307 2.231 0.103) 10.546 4.733 ( 7.507 1.797 -1.019) 7.786 5.586 ( -0.102 3.695 7.407) 8.278 6.690 ( -1.362 1.359 -3.361) 3.873 7.348 ( -2.336 2.300 -6.060) 6.890 10.278 ( 11.754 0.711 -0.981) 11.816 10.555 ( -6.331 8.890 1.380) 11.001 10.949 ( 2.012 0.405 6.272) 6.599 11.652 ( 5.604 2.603 1.945) 6.478 12.688 ( -0.868 -11.933 -4.679) 12.847 16.201 ( -6.251 2.057 0.036) 6.581 ======================= Grid point 1195 (427/580) ======================= q-point: (-0.28 -0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 0.607 0.468 7.297) 7.337 3.997 ( 17.778 -0.364 0.255) 17.784 4.927 ( 13.723 1.508 -1.363) 13.872 5.630 ( -0.887 1.085 8.793) 8.904 6.654 ( -2.686 0.578 -2.776) 3.906 7.268 ( -5.181 -1.160 -7.265) 8.998 10.471 ( 8.893 -7.214 0.735) 11.475 10.522 ( -2.942 6.712 3.539) 8.138 11.101 ( 12.085 6.415 2.736) 13.953 11.775 ( 4.132 1.567 2.577) 5.116 12.578 ( -0.161 -4.909 -4.895) 6.935 16.064 ( -11.691 1.242 0.330) 11.762 ======================= Grid point 1196 (428/580) ======================= q-point: (-0.22 -0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 1.029 0.080 5.427) 5.524 4.313 ( 20.757 -3.437 0.660) 21.050 5.201 ( 17.439 1.005 -2.201) 17.607 5.632 ( -2.286 -1.690 9.642) 10.052 6.595 ( -3.795 0.140 -1.747) 4.180 7.106 ( -7.812 -3.719 -7.890) 11.710 10.454 ( 2.122 -7.835 6.093) 10.150 10.594 ( 1.334 1.966 1.114) 2.624 11.501 ( 25.167 6.514 -0.645) 26.004 11.806 ( -3.569 2.377 1.261) 4.470 12.551 ( 1.127 -1.163 -2.617) 3.078 15.849 ( -14.735 1.607 0.260) 14.825 ======================= Grid point 1212 (429/580) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( -0.000 0.420 9.510) 9.519 3.662 ( 0.000 -0.637 -0.200) 0.668 4.676 ( 0.000 0.667 -0.772) 1.020 5.644 ( -0.000 2.018 8.877) 9.104 6.701 ( 0.000 1.013 -3.648) 3.786 7.352 ( 0.000 -1.114 -7.338) 7.422 10.168 ( 0.000 -1.197 -1.569) 1.973 10.618 ( -0.000 -5.807 0.543) 5.832 11.047 ( -0.000 13.068 11.407) 17.346 11.618 ( -0.000 0.810 1.901) 2.067 12.592 ( 0.000 -4.801 -7.519) 8.921 16.273 ( -0.000 1.409 0.500) 1.496 ======================= Grid point 1213 (430/580) ======================= q-point: (-0.28 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -0.104 -0.509 9.134) 9.149 3.734 ( 10.625 -3.255 -0.062) 11.113 4.743 ( 7.809 -0.165 -0.785) 7.850 5.681 ( -0.600 -0.221 10.133) 10.153 6.685 ( -1.432 0.668 -3.501) 3.841 7.276 ( -2.358 -4.672 -8.509) 9.989 10.228 ( 9.437 -4.925 -1.652) 10.773 10.533 ( 1.012 -10.630 2.317) 10.926 11.183 ( -4.588 15.159 10.414) 18.955 11.705 ( 7.166 1.615 3.538) 8.153 12.546 ( -0.573 2.186 -8.937) 9.218 16.231 ( -6.377 0.871 0.533) 6.458 ======================= Grid point 1214 (431/580) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 0.179 -1.744 7.117) 7.330 3.939 ( 17.897 -5.837 0.561) 18.833 4.920 ( 13.922 -1.438 -0.986) 14.031 5.683 ( -1.665 -2.619 10.613) 11.057 6.644 ( -2.647 0.116 -2.823) 3.872 7.128 ( -4.536 -7.029 -9.191) 12.428 10.270 ( 4.990 -13.383 0.517) 14.293 10.535 ( 8.460 -7.297 1.906) 11.334 11.328 ( 4.627 12.482 6.980) 15.031 11.857 ( 3.737 5.023 5.570) 8.379 12.549 ( -0.757 6.060 -8.633) 10.575 16.089 ( -11.351 1.220 0.268) 11.420 ======================= Grid point 1231 (432/580) ======================= q-point: (-0.28 -0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -0.000 -1.914 9.706) 9.892 3.594 ( -0.000 -6.096 -0.228) 6.101 4.667 ( 0.000 -1.061 -0.693) 1.267 5.709 ( -0.000 -2.672 11.259) 11.571 6.690 ( 0.000 0.210 -3.715) 3.721 7.203 ( 0.000 -7.869 -9.538) 12.365 10.087 ( 0.000 -5.876 -1.835) 6.156 10.386 ( -0.000 -16.711 2.246) 16.861 11.484 ( -0.000 20.398 15.504) 25.622 11.620 ( -0.000 -1.856 2.071) 2.781 12.573 ( 0.000 8.828 -11.317) 14.353 16.293 ( -0.000 0.477 0.300) 0.564 ======================= Grid point 1232 (433/580) ======================= q-point: (-0.22 -0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( -0.679 -3.980 8.238) 9.174 3.620 ( 11.109 -8.524 0.364) 14.007 4.715 ( 7.546 -2.140 -0.746) 7.879 5.701 ( -0.696 -5.670 11.532) 12.869 6.660 ( -1.290 -2.088 -3.560) 4.324 7.070 ( -1.862 -8.441 -9.827) 13.087 10.063 ( 4.622 -10.944 -1.337) 11.955 10.273 ( 6.746 -15.805 1.904) 17.290 11.508 ( -6.290 7.123 6.263) 11.381 11.850 ( 7.698 11.770 13.064) 19.195 12.630 ( -1.475 12.893 -12.470) 17.997 16.246 ( -5.976 0.753 -0.231) 6.028 ======================= Grid point 1250 (434/580) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( -0.000 -6.532 8.319) 10.577 3.424 ( -0.000 -11.340 0.269) 11.344 4.625 ( 0.000 -2.781 -0.815) 2.898 5.672 ( -0.000 -9.596 11.500) 14.977 6.603 ( 0.000 -9.720 -4.948) 10.907 6.988 ( 0.000 -3.770 -8.536) 9.331 9.915 ( -0.000 -10.609 -1.436) 10.706 10.054 ( -0.000 -17.615 2.018) 17.730 11.583 ( -0.000 -2.817 1.616) 3.248 12.016 ( -0.000 21.035 20.027) 29.043 12.747 ( 0.000 16.799 -13.811) 21.747 16.301 ( 0.000 0.831 -1.131) 1.404 ======================= Grid point 1385 (435/580) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.000 0.000 18.656) 18.656 0.889 ( -0.000 0.000 18.656) 18.656 1.689 ( -0.000 0.000 36.603) 36.603 4.014 ( 0.000 -0.000 -1.988) 1.988 4.014 ( 0.000 -0.000 -1.988) 1.988 8.275 ( -0.000 0.000 0.481) 0.481 8.275 ( -0.000 0.000 0.481) 0.481 8.415 ( 0.000 -0.000 -11.060) 11.060 11.829 ( 0.000 -0.000 -0.518) 0.518 11.829 ( 0.000 -0.000 -0.518) 0.518 15.180 ( -0.000 0.000 3.731) 3.731 15.579 ( 0.000 -0.000 -1.816) 1.816 ======================= Grid point 1386 (436/580) ======================= q-point: ( 0.28 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 16.686 9.633 13.939) 23.781 1.293 ( 25.918 14.963 14.877) 33.421 1.910 ( 11.070 6.391 29.145) 31.824 4.009 ( 1.074 0.620 -2.142) 2.475 4.138 ( 10.367 5.985 -1.457) 12.059 7.632 ( -17.464 -10.083 2.527) 20.323 8.346 ( 5.329 3.077 0.622) 6.185 9.527 ( 52.128 30.096 -24.213) 64.880 11.598 ( -16.372 -9.453 -2.112) 19.023 11.792 ( -2.626 -1.516 -0.582) 3.088 15.147 ( -4.095 -2.364 5.270) 7.080 15.793 ( 14.981 8.649 -9.938) 19.950 ======================= Grid point 1387 (437/580) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 20.337 11.742 8.841) 25.093 1.809 ( 13.403 7.738 19.629) 24.997 2.496 ( 34.046 19.656 10.149) 40.602 4.047 ( 2.932 1.693 -1.985) 3.924 4.450 ( 16.990 9.809 0.049) 19.618 7.382 ( -7.365 -4.252 -0.490) 8.519 8.517 ( 9.554 5.516 0.789) 11.060 10.261 ( 13.143 7.588 -7.509) 16.933 11.351 ( 4.080 2.355 -18.820) 19.401 11.712 ( -4.081 -2.356 -0.633) 4.754 15.044 ( -6.685 -3.859 8.286) 11.324 15.996 ( 5.327 3.076 -15.013) 16.224 ======================= Grid point 1388 (438/580) ======================= q-point: ( 0.39 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 11.222 6.479 14.702) 19.598 2.153 ( 20.152 11.635 5.089) 23.820 3.354 ( 38.082 21.987 1.996) 44.018 4.125 ( 4.405 2.543 -1.549) 5.317 4.879 ( 20.288 11.713 1.860) 23.501 7.242 ( -5.183 -2.992 -2.227) 6.386 8.776 ( 13.046 7.532 1.004) 15.098 10.182 ( -11.955 -6.902 6.465) 15.244 11.604 ( 18.142 10.474 -27.428) 34.513 11.613 ( -4.322 -2.496 -0.715) 5.042 14.919 ( -7.479 -4.318 12.746) 15.396 15.937 ( -4.792 -2.767 -16.433) 17.339 ======================= Grid point 1389 (439/580) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 11.697 6.753 7.298) 15.353 2.598 ( 18.074 10.435 2.478) 21.017 4.172 ( 33.903 19.574 -2.267) 39.214 4.230 ( 5.241 3.026 -0.959) 6.127 5.353 ( 20.513 11.843 3.411) 23.931 7.125 ( -4.526 -2.613 -2.058) 5.617 9.101 ( 15.081 8.707 1.291) 17.462 9.959 ( -8.302 -4.793 6.594) 11.636 11.523 ( -3.162 -1.825 -0.897) 3.759 11.813 ( 7.201 4.158 -24.258) 25.643 14.765 ( -12.137 -7.007 15.842) 21.151 15.751 ( -4.391 -2.535 -15.560) 16.365 ======================= Grid point 1390 (440/580) ======================= q-point: ( 0.50 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 10.497 6.060 0.763) 12.145 2.977 ( 15.003 8.662 0.893) 17.347 4.348 ( 5.310 3.066 -0.374) 6.143 4.845 ( 26.769 15.455 -5.795) 31.448 5.806 ( 18.185 10.499 4.471) 21.469 7.031 ( -3.356 -1.937 0.004) 3.875 9.447 ( 14.821 8.557 1.623) 17.190 9.879 ( -0.475 -0.274 5.292) 5.320 11.473 ( -0.801 -0.462 -1.226) 1.536 11.775 ( -2.838 -1.639 -21.419) 21.668 14.412 ( -23.269 -13.434 10.935) 29.008 15.721 ( 5.304 3.062 -7.636) 9.789 ======================= Grid point 1391 (441/580) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 7.837 4.525 -4.364) 10.047 3.278 ( 11.469 6.621 0.196) 13.244 4.462 ( 4.683 2.704 0.105) 5.409 5.332 ( 18.791 10.849 -8.958) 23.475 6.185 ( 13.685 7.901 4.941) 16.556 6.986 ( -0.906 -0.523 3.572) 3.722 9.759 ( 11.965 6.908 1.896) 13.945 9.971 ( 7.154 4.130 3.430) 8.944 11.482 ( 1.995 1.152 -1.637) 2.826 11.587 ( -6.807 -3.930 -18.448) 20.053 13.842 ( -28.558 -16.488 6.444) 33.599 15.885 ( 9.222 5.324 -1.507) 10.755 ======================= Grid point 1392 (442/580) ======================= q-point: ( 0.61 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 4.849 2.799 -7.928) 9.705 3.494 ( 7.680 4.434 0.086) 8.869 4.556 ( 3.572 2.062 0.464) 4.151 5.639 ( 11.855 6.845 -11.283) 17.740 6.442 ( 7.504 4.332 4.562) 9.792 7.021 ( 2.157 1.245 7.695) 8.088 9.986 ( 7.470 4.313 1.966) 8.847 10.209 ( 12.777 7.377 1.191) 14.802 11.381 ( -5.780 -3.337 -15.402) 16.786 11.544 ( 3.747 2.163 -1.953) 4.747 13.220 ( -27.517 -15.887 5.949) 32.327 16.081 ( 7.768 4.485 0.146) 8.971 ======================= Grid point 1393 (443/580) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 2.337 1.349 -9.935) 10.295 3.622 ( 3.649 2.107 0.193) 4.218 4.624 ( 2.190 1.265 0.717) 2.629 5.806 ( 6.844 3.951 -12.509) 14.796 6.565 ( 2.679 1.547 4.202) 5.218 7.110 ( 2.212 1.277 10.555) 10.860 10.109 ( 2.909 1.679 1.836) 3.828 10.518 ( 13.106 7.567 -0.948) 15.164 11.243 ( -1.444 -0.833 -13.615) 13.717 11.620 ( 3.180 1.836 -2.071) 4.216 12.689 ( -20.594 -11.890 8.027) 25.099 16.220 ( 4.402 2.542 -0.064) 5.083 ======================= Grid point 1394 (444/580) ======================= q-point: (-0.28 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 0.222 0.128 -10.558) 10.561 3.658 ( -0.646 -0.373 0.226) 0.779 4.659 ( 0.674 0.389 0.866) 1.164 5.870 ( 2.665 1.539 -13.100) 13.456 6.616 ( 0.983 0.568 4.457) 4.600 7.158 ( -1.855 -1.071 11.570) 11.766 10.134 ( -1.135 -0.655 1.662) 2.117 10.657 ( -3.104 -1.792 -2.938) 4.634 11.304 ( 12.604 7.277 -13.569) 19.898 11.659 ( 0.753 0.435 -2.037) 2.215 12.402 ( -6.896 -3.982 10.960) 13.548 16.281 ( 1.360 0.785 -0.269) 1.593 ======================= Grid point 1395 (445/580) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( -2.230 -1.288 -9.991) 10.318 3.593 ( -5.174 -2.987 0.054) 5.975 4.659 ( -0.892 -0.515 0.898) 1.366 5.832 ( -2.326 -1.343 -12.880) 13.157 6.649 ( 0.411 0.237 4.301) 4.327 7.096 ( -6.813 -3.934 11.396) 13.848 10.070 ( -5.050 -2.916 1.547) 6.033 10.414 ( -14.768 -8.526 -3.274) 17.364 11.640 ( -1.703 -0.983 -1.895) 2.731 11.644 ( 19.556 11.291 -15.887) 27.610 12.451 ( 6.788 3.919 12.818) 15.025 16.293 ( 0.053 0.030 0.310) 0.316 ======================= Grid point 1404 (446/580) ======================= q-point: ( 0.28 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -0.000 12.926 14.767) 19.625 1.454 ( -0.000 30.747 15.328) 34.356 2.014 ( -0.000 11.929 26.824) 29.357 4.041 ( 0.000 3.173 -1.971) 3.735 4.093 ( 0.000 10.305 -1.564) 10.423 7.645 ( -0.000 -20.464 1.781) 20.541 8.314 ( 0.000 4.617 0.601) 4.656 9.455 ( 0.000 57.289 -20.844) 60.963 11.604 ( -0.000 -16.215 -3.063) 16.502 11.810 ( -0.000 -2.087 -0.573) 2.164 15.159 ( -0.000 -5.170 5.465) 7.523 15.755 ( 0.000 15.210 -8.766) 17.555 ======================= Grid point 1405 (447/580) ======================= q-point: ( 0.33 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 18.359 14.624 10.230) 25.604 1.832 ( 6.050 16.973 20.357) 27.186 2.371 ( 13.895 27.768 11.618) 33.153 4.057 ( -0.429 5.069 -1.833) 5.407 4.320 ( 11.039 13.723 -0.348) 17.615 7.434 ( -5.552 -9.011 -0.092) 10.584 8.441 ( 6.801 7.111 0.766) 9.869 10.054 ( 18.190 25.888 -12.879) 34.160 11.365 ( -7.440 -4.544 -11.937) 14.782 11.754 ( -2.976 -2.263 -0.739) 3.811 15.095 ( -2.775 -7.207 7.617) 10.847 15.910 ( 4.876 8.819 -13.155) 16.571 ======================= Grid point 1406 (448/580) ======================= q-point: ( 0.39 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 18.633 15.202 6.100) 24.809 2.115 ( 6.601 9.152 18.000) 21.245 3.055 ( 26.993 31.102 1.855) 41.223 4.120 ( 1.632 6.818 -1.305) 7.131 4.701 ( 16.324 15.476 1.361) 22.535 7.283 ( -4.608 -4.624 -1.874) 6.792 8.674 ( 10.162 10.421 0.954) 14.587 10.246 ( -2.552 -9.100 5.469) 10.919 11.376 ( 9.563 13.674 -24.847) 29.930 11.677 ( -3.663 -0.074 -2.109) 4.228 14.992 ( -3.919 -8.169 11.156) 14.372 15.933 ( -2.273 0.851 -15.655) 15.842 ======================= Grid point 1407 (449/580) ======================= q-point: ( 0.44 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 9.408 7.367 9.330) 15.161 2.463 ( 15.134 16.592 4.347) 22.874 3.810 ( 28.990 22.306 -2.470) 36.662 4.243 ( 3.712 11.325 -0.426) 11.925 5.158 ( 18.621 15.094 2.924) 24.148 7.165 ( -4.203 -3.197 -2.172) 5.710 8.986 ( 12.230 13.437 1.242) 18.211 10.045 ( -7.642 -10.993 7.407) 15.301 11.527 ( 2.334 -0.868 -7.531) 7.932 11.676 ( 3.948 8.401 -17.811) 20.085 14.876 ( -5.434 -10.369 15.049) 19.066 15.779 ( -6.981 -1.275 -16.390) 17.861 ======================= Grid point 1408 (450/580) ======================= q-point: ( 0.50 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 9.194 6.150 3.290) 11.540 2.873 ( 12.720 16.368 1.295) 20.769 4.271 ( 9.961 5.199 -1.817) 11.382 4.604 ( 19.865 22.748 -3.456) 30.398 5.623 ( 18.221 13.055 4.070) 22.782 7.067 ( -3.446 -2.271 -0.801) 4.204 9.343 ( 12.380 15.382 1.632) 19.813 9.893 ( -2.437 -5.889 5.876) 8.669 11.497 ( -1.447 0.320 -1.920) 2.425 11.704 ( 0.549 -0.157 -20.437) 20.445 14.634 ( -15.147 -16.289 12.383) 25.458 15.665 ( 0.403 2.736 -10.525) 10.883 ======================= Grid point 1409 (451/580) ======================= q-point: ( 0.56 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 7.947 4.356 -2.322) 9.355 3.215 ( 9.121 15.301 0.142) 17.814 4.433 ( 4.689 6.104 -0.294) 7.703 5.115 ( 18.375 16.034 -7.203) 25.429 6.039 ( 15.495 9.876 4.850) 19.004 7.007 ( -1.542 -1.128 1.938) 2.721 9.696 ( 9.982 15.841 2.042) 18.835 9.896 ( 4.812 -1.088 3.908) 6.294 11.490 ( -1.151 2.707 -1.323) 3.226 11.574 ( -3.521 -4.387 -18.470) 19.308 14.144 ( -24.473 -18.997 6.303) 31.616 15.765 ( 8.508 3.775 -2.454) 9.626 ======================= Grid point 1410 (452/580) ======================= q-point: ( 0.61 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 5.782 2.383 -6.486) 9.010 3.478 ( 5.150 13.847 -0.099) 14.774 4.557 ( 2.445 7.032 0.319) 7.451 5.474 ( 12.707 9.910 -9.717) 18.817 6.356 ( 10.438 5.978 4.993) 13.024 7.015 ( 1.686 0.114 5.419) 5.676 9.986 ( 5.254 15.024 2.398) 16.096 10.053 ( 11.536 2.474 1.475) 11.890 11.359 ( -4.992 -6.746 -12.621) 15.157 11.556 ( 1.081 6.896 -4.296) 8.196 13.537 ( -26.814 -17.875 4.462) 32.533 15.955 ( 10.106 1.474 0.418) 10.221 ======================= Grid point 1411 (453/580) ======================= q-point: ( 0.67 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 3.561 0.829 -9.048) 9.759 3.657 ( 0.944 12.077 0.065) 12.114 4.653 ( 0.234 7.433 0.667) 7.466 5.684 ( 7.968 5.460 -11.172) 14.769 6.536 ( 4.654 2.258 4.388) 6.784 7.096 ( 4.035 0.352 8.643) 9.545 10.175 ( -0.431 13.553 2.209) 13.739 10.324 ( 15.625 4.115 -0.881) 16.182 11.193 ( -2.329 -5.544 -10.799) 12.361 11.638 ( 0.796 8.090 -3.388) 8.807 12.963 ( -23.445 -14.098 5.553) 27.915 16.114 ( 8.302 -1.563 0.404) 8.457 ======================= Grid point 1412 (454/580) ======================= q-point: ( 0.72 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 1.634 -0.265 -10.083) 10.218 3.744 ( -3.486 10.049 0.186) 10.638 4.713 ( -1.943 7.306 0.858) 7.608 5.785 ( 4.335 2.281 -11.923) 12.890 6.611 ( 1.779 0.146 4.162) 4.529 7.181 ( 1.945 -1.533 10.299) 10.593 10.249 ( -5.604 10.895 1.717) 12.372 10.594 ( 10.211 1.446 -2.567) 10.628 11.123 ( 4.212 -1.593 -10.198) 11.148 11.702 ( -0.715 7.011 -2.916) 7.627 12.557 ( -13.588 -6.977 7.947) 17.218 16.204 ( 5.651 -4.041 -0.197) 6.950 ======================= Grid point 1413 (455/580) ======================= q-point: (-0.22 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( -0.362 -1.285 -9.768) 9.859 3.734 ( -8.141 7.803 0.031) 11.277 4.734 ( -3.935 6.643 0.893) 7.772 5.794 ( 0.461 -0.576 -12.179) 12.202 6.646 ( 1.302 -0.566 4.086) 4.325 7.179 ( -3.172 -4.480 10.623) 11.958 10.212 ( -9.208 6.032 1.474) 11.106 10.562 ( -9.911 -4.137 -3.220) 11.212 11.289 ( 16.931 1.606 -10.405) 19.937 11.745 ( -0.972 8.437 -4.248) 9.496 12.448 ( 0.420 0.808 10.293) 10.333 16.235 ( 3.860 -5.185 -0.223) 6.468 ======================= Grid point 1423 (456/580) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -0.000 20.334 10.001) 22.661 2.007 ( -0.000 11.072 23.058) 25.578 2.603 ( 0.000 37.094 3.971) 37.306 4.107 ( 0.000 4.871 -2.053) 5.286 4.387 ( 0.000 19.763 0.791) 19.779 7.387 ( -0.000 -8.638 -0.765) 8.672 8.465 ( 0.000 10.214 1.073) 10.271 10.112 ( 0.000 16.379 -4.635) 17.022 11.361 ( 0.000 2.924 -18.344) 18.575 11.743 ( -0.000 -4.115 -0.802) 4.193 15.061 ( -0.000 -9.608 8.709) 12.968 15.919 ( 0.000 8.687 -13.401) 15.970 ======================= Grid point 1424 (457/580) ======================= q-point: ( 0.39 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 13.523 20.013 7.093) 25.173 2.187 ( 2.644 7.134 19.794) 21.206 3.081 ( 10.950 38.472 -1.239) 40.019 4.163 ( 1.343 6.770 -1.663) 7.099 4.674 ( 8.206 21.664 2.094) 23.260 7.288 ( -2.541 -5.512 -1.863) 6.349 8.644 ( 6.870 12.886 1.314) 14.662 10.184 ( 0.778 -8.071 6.669) 10.499 11.364 ( 0.001 14.700 -24.601) 28.658 11.696 ( -0.461 -2.359 -2.206) 3.263 14.978 ( -1.479 -11.307 11.189) 15.976 15.932 ( -1.261 3.782 -15.158) 15.674 ======================= Grid point 1425 (458/580) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 9.761 12.252 6.624) 17.007 2.420 ( 11.203 13.904 10.557) 20.744 3.659 ( 17.016 30.052 -3.991) 34.765 4.290 ( 4.434 11.299 -0.674) 12.156 5.071 ( 12.594 20.706 3.036) 24.425 7.187 ( -3.249 -3.648 -2.232) 5.371 8.943 ( 10.793 16.143 1.595) 19.484 10.052 ( -4.555 -13.635 8.614) 16.759 11.437 ( 3.096 5.822 -16.610) 17.871 11.683 ( 0.129 3.533 -8.500) 9.206 14.869 ( -2.323 -13.687 14.217) 19.871 15.835 ( -6.066 1.106 -16.291) 17.419 ======================= Grid point 1426 (459/580) ======================= q-point: ( 0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 6.776 6.230 4.880) 10.418 2.845 ( 13.298 19.562 3.177) 23.866 4.134 ( 13.341 14.330 -4.345) 20.055 4.569 ( 11.253 20.675 -1.205) 23.571 5.502 ( 14.394 17.651 3.575) 23.054 7.096 ( -3.152 -2.488 -1.314) 4.225 9.319 ( 12.015 19.364 2.031) 22.878 9.889 ( -3.403 -9.128 6.543) 11.736 11.464 ( 2.823 -0.166 -9.335) 9.754 11.669 ( -1.857 1.396 -12.025) 12.247 14.692 ( -7.222 -18.747 13.772) 24.357 15.695 ( -4.918 3.169 -13.241) 14.476 ======================= Grid point 1427 (460/580) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 6.646 4.350 -0.155) 7.945 3.241 ( 9.587 20.160 1.005) 22.346 4.396 ( 7.699 8.715 -2.022) 11.803 4.997 ( 14.243 19.876 -4.482) 24.860 5.909 ( 14.089 13.180 4.046) 19.713 7.030 ( -2.073 -1.453 0.741) 2.638 9.720 ( 10.417 21.468 2.375) 23.980 9.826 ( 1.751 -4.125 4.312) 6.219 11.480 ( 2.810 -0.840 -12.744) 13.077 11.564 ( -5.082 -0.843 -5.849) 7.794 14.322 ( -16.984 -21.820 7.828) 28.738 15.684 ( 3.129 3.673 -5.209) 7.100 ======================= Grid point 1428 (461/580) ======================= q-point: ( 0.61 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 5.478 2.420 -4.202) 7.316 3.565 ( 5.172 20.046 0.142) 20.703 4.582 ( 4.765 9.325 -0.545) 10.486 5.357 ( 10.926 13.695 -7.251) 18.961 6.249 ( 11.721 8.218 4.592) 15.033 7.009 ( 0.244 -0.732 3.379) 3.466 9.896 ( 8.155 -0.490 1.255) 8.265 10.089 ( 6.213 22.253 3.369) 23.348 11.342 ( -5.265 -6.883 -12.549) 15.251 11.585 ( 2.117 7.162 -3.275) 8.155 13.788 ( -22.768 -20.452 3.992) 30.864 15.799 ( 8.223 0.131 -0.316) 8.230 ======================= Grid point 1429 (462/580) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 3.859 0.948 -6.900) 7.963 3.805 ( 0.449 19.212 0.020) 19.217 4.736 ( 1.744 10.733 0.379) 10.880 5.584 ( 6.995 7.995 -9.219) 14.065 6.481 ( 6.881 3.522 4.329) 8.859 7.051 ( 3.572 -0.858 6.308) 7.300 10.089 ( 13.681 1.420 -1.174) 13.804 10.375 ( 0.127 22.352 3.008) 22.554 11.157 ( -4.003 -6.188 -8.176) 11.007 11.694 ( 1.825 9.583 -4.179) 10.613 13.224 ( -22.887 -16.604 3.441) 28.484 15.932 ( 9.248 -4.263 0.711) 10.208 ======================= Grid point 1430 (463/580) ======================= q-point: ( 0.72 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 2.237 0.114 -8.224) 8.524 3.952 ( -4.377 17.645 0.070) 18.180 4.850 ( -1.721 11.949 0.996) 12.114 5.699 ( 4.211 3.515 -10.384) 11.744 6.587 ( 2.681 0.098 3.563) 4.460 7.136 ( 4.522 -2.458 8.613) 10.034 10.353 ( 15.578 1.594 -3.400) 16.024 10.526 ( -7.410 18.281 1.052) 19.754 11.064 ( 0.193 -0.385 -4.287) 4.309 11.778 ( -0.885 7.825 -3.710) 8.705 12.759 ( -16.978 -9.917 4.431) 20.155 16.024 ( 8.281 -7.771 0.204) 11.358 ======================= Grid point 1431 (464/580) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( 0.564 -0.331 -8.266) 8.292 3.999 ( -9.215 15.400 -0.104) 17.947 4.914 ( -5.233 12.344 1.259) 13.466 5.730 ( 1.802 -0.081 -10.944) 11.091 6.623 ( 1.642 -1.499 3.276) 3.959 7.183 ( 1.130 -5.172 9.406) 10.793 10.476 ( -12.374 7.570 -0.262) 14.508 10.565 ( 7.332 -0.129 -4.679) 8.699 11.133 ( 3.275 10.449 -3.596) 11.525 11.802 ( -0.439 3.991 -2.576) 4.770 12.524 ( -6.158 -1.429 5.588) 8.437 16.067 ( 7.110 -9.507 -0.250) 11.874 ======================= Grid point 1442 (465/580) ======================= q-point: ( 0.39 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -0.000 22.150 6.928) 23.208 2.288 ( -0.000 5.282 17.201) 17.993 3.377 ( 0.000 39.844 -3.350) 39.985 4.199 ( 0.000 5.922 -2.161) 6.304 4.855 ( 0.000 26.160 3.179) 26.352 7.251 ( 0.000 -4.815 -2.212) 5.299 8.723 ( 0.000 15.146 1.638) 15.234 10.114 ( -0.000 -11.804 9.770) 15.323 11.441 ( 0.000 15.736 -26.081) 30.461 11.646 ( -0.000 -4.975 -1.102) 5.096 14.906 ( -0.000 -13.800 12.483) 18.609 15.934 ( 0.000 4.005 -15.573) 16.079 ======================= Grid point 1443 (466/580) ======================= q-point: ( 0.44 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 8.159 18.642 5.251) 21.016 2.423 ( 5.303 7.606 12.253) 15.366 3.782 ( 5.088 34.248 -4.461) 34.910 4.297 ( 5.108 8.304 -1.641) 9.887 5.170 ( 4.730 26.527 3.381) 27.156 7.186 ( -1.711 -3.584 -2.374) 4.627 8.953 ( 7.463 17.399 1.859) 19.023 10.009 ( -2.159 -12.557 10.022) 16.210 11.444 ( -3.005 6.061 -16.897) 18.201 11.643 ( 3.502 -0.027 -7.245) 8.047 14.795 ( -0.965 -16.709 14.069) 21.865 15.887 ( -3.678 3.479 -16.041) 16.821 ======================= Grid point 1444 (467/580) ======================= q-point: ( 0.50 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 3.955 6.010 5.522) 9.070 2.805 ( 15.002 18.969 4.748) 24.646 4.129 ( 5.398 20.627 -4.741) 21.842 4.556 ( 11.728 16.520 -1.021) 20.286 5.532 ( 7.210 23.753 2.865) 24.988 7.114 ( -2.379 -2.421 -1.723) 3.807 9.314 ( 12.241 20.160 2.121) 23.680 9.882 ( -3.425 -8.721 7.681) 12.115 11.396 ( 0.069 0.207 -11.060) 11.062 11.656 ( 0.711 -0.518 -8.648) 8.693 14.629 ( -3.270 -20.998 13.823) 25.351 15.784 ( -6.160 4.575 -14.159) 16.104 ======================= Grid point 1445 (468/580) ======================= q-point: ( 0.56 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 4.694 4.203 1.584) 6.497 3.253 ( 13.538 19.955 2.397) 24.233 4.365 ( 6.037 12.644 -3.458) 14.432 4.950 ( 13.341 18.407 -1.871) 22.810 5.880 ( 8.260 18.554 2.337) 20.443 7.053 ( -2.134 -1.349 -0.202) 2.533 9.748 ( 11.792 20.284 1.193) 23.493 9.800 ( -0.063 -1.559 6.099) 6.296 11.374 ( 2.152 -2.230 -11.686) 12.090 11.605 ( -2.047 -0.820 -4.574) 5.078 14.345 ( -9.235 -24.359 9.754) 27.817 15.707 ( -3.344 4.865 -8.380) 10.251 ======================= Grid point 1446 (469/580) ======================= q-point: ( 0.61 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 4.404 2.574 -1.732) 5.387 3.655 ( 9.365 21.150 0.998) 23.152 4.573 ( 6.466 10.631 -2.025) 12.607 5.309 ( 10.272 14.901 -3.581) 18.449 6.181 ( 8.524 12.014 2.685) 14.973 7.017 ( -1.097 -0.827 1.665) 2.158 9.795 ( 3.309 -0.445 1.151) 3.532 10.198 ( 10.219 24.238 4.159) 26.631 11.300 ( -1.947 -5.875 -11.932) 13.441 11.605 ( 1.733 5.073 -1.892) 5.685 13.917 ( -15.840 -23.635 5.021) 28.891 15.710 ( 1.887 1.264 -2.540) 3.407 ======================= Grid point 1447 (470/580) ======================= q-point: ( 0.67 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 3.459 1.351 -4.092) 5.526 3.981 ( 3.794 21.991 0.310) 22.318 4.776 ( 5.763 10.559 -0.628) 12.046 5.550 ( 5.320 10.737 -5.846) 13.333 6.414 ( 7.261 5.655 3.393) 9.809 7.014 ( 1.128 -1.572 3.676) 4.154 9.905 ( 8.836 1.711 -1.265) 9.089 10.584 ( 5.080 24.729 4.687) 25.677 11.145 ( -4.474 -5.862 -7.723) 10.678 11.725 ( 4.008 9.429 -3.551) 10.844 13.416 ( -18.979 -19.773 2.653) 27.536 15.758 ( 5.515 -4.296 0.151) 6.992 ======================= Grid point 1448 (471/580) ======================= q-point: ( 0.72 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 2.305 0.765 -5.476) 5.990 4.208 ( -2.289 21.590 0.004) 21.710 4.965 ( 3.437 11.861 0.779) 12.374 5.665 ( 1.386 6.495 -7.856) 10.287 6.547 ( 3.637 0.646 2.847) 4.664 7.052 ( 4.279 -3.591 6.144) 8.304 10.108 ( 13.158 2.522 -3.346) 13.809 10.838 ( -6.338 18.668 -0.993) 19.739 11.048 ( 2.357 1.957 1.588) 3.451 11.855 ( 0.498 9.629 -4.267) 10.544 12.948 ( -16.889 -13.354 2.046) 21.627 15.802 ( 7.236 -9.248 0.479) 11.752 ======================= Grid point 1449 (472/580) ======================= q-point: ( 0.78 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 1.074 0.707 -5.918) 6.056 4.321 ( -8.092 19.574 -0.274) 21.183 5.120 ( -1.153 14.237 2.047) 14.429 5.681 ( -0.438 1.604 -9.380) 9.526 6.586 ( 1.657 -2.234 2.077) 3.471 7.107 ( 4.312 -6.302 7.733) 10.868 10.351 ( 13.706 1.909 -5.303) 14.820 10.732 ( -11.782 2.837 -3.519) 12.620 11.272 ( 3.421 20.444 5.980) 21.574 11.861 ( -5.411 2.941 -3.377) 7.023 12.644 ( -9.078 -3.991 1.579) 10.042 15.827 ( 8.069 -12.018 0.055) 14.476 ======================= Grid point 1461 (473/580) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 0.000 21.253 4.955) 21.823 2.470 ( -0.000 4.385 9.541) 10.500 4.073 ( 0.000 33.549 -3.650) 33.747 4.305 ( 0.000 6.282 -2.176) 6.648 5.417 ( 0.000 28.404 2.898) 28.552 7.160 ( 0.000 -2.973 -2.423) 3.835 9.066 ( 0.000 18.250 1.968) 18.356 9.953 ( -0.000 -9.653 10.220) 14.059 11.496 ( 0.000 5.149 -20.112) 20.761 11.544 ( 0.000 -4.332 -1.294) 4.522 14.673 ( -0.000 -19.833 14.005) 24.280 15.909 ( 0.000 5.079 -15.515) 16.325 ======================= Grid point 1462 (474/580) ======================= q-point: ( 0.50 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 1.291 4.689 5.760) 7.538 2.778 ( 10.633 19.086 4.366) 22.280 4.289 ( -2.130 17.304 -3.355) 17.754 4.515 ( 10.843 17.976 -1.333) 21.036 5.716 ( 2.030 26.687 1.621) 26.813 7.117 ( -1.219 -1.926 -1.995) 3.029 9.330 ( 8.649 19.334 1.964) 21.271 9.890 ( -2.406 -5.519 8.449) 10.375 11.393 ( -3.817 -1.031 -10.326) 11.057 11.570 ( 4.182 -2.542 -6.834) 8.405 14.497 ( -1.533 -23.381 12.894) 26.744 15.880 ( -3.999 6.289 -13.645) 15.548 ======================= Grid point 1463 (475/580) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 2.695 3.720 2.881) 5.422 3.196 ( 15.221 18.024 3.002) 23.782 4.418 ( 2.017 12.817 -3.202) 13.364 4.892 ( 12.524 17.180 -0.191) 21.261 6.000 ( 2.564 22.227 0.189) 22.375 7.074 ( -1.688 -0.633 -0.964) 2.044 9.730 ( 13.516 19.626 1.247) 23.862 9.832 ( -2.320 -0.172 6.079) 6.509 11.303 ( -0.891 -3.094 -8.427) 9.021 11.576 ( 1.991 -1.877 -4.392) 5.175 14.244 ( -4.586 -26.250 9.938) 28.440 15.815 ( -5.887 6.426 -9.667) 13.016 ======================= Grid point 1464 (476/580) ======================= q-point: ( 0.61 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 3.061 2.584 0.638) 4.057 3.642 ( 15.267 18.128 1.794) 23.768 4.585 ( 4.325 12.016 -2.738) 13.060 5.249 ( 11.951 12.845 0.129) 17.545 6.230 ( 2.641 15.854 -0.344) 16.077 7.042 ( -1.788 0.221 0.205) 1.813 9.791 ( -1.518 1.956 1.511) 2.900 10.220 ( 15.627 21.830 3.245) 27.042 11.228 ( -0.458 -5.131 -7.863) 9.400 11.602 ( 2.642 2.788 -1.937) 4.301 13.898 ( -8.921 -26.436 6.036) 28.547 15.750 ( -4.781 3.850 -4.837) 7.815 ======================= Grid point 1465 (477/580) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 2.701 1.701 -1.064) 3.364 4.063 ( 11.777 19.452 0.955) 22.759 4.773 ( 5.440 10.975 -1.832) 12.385 5.532 ( 8.363 9.653 -1.050) 12.815 6.398 ( 3.142 8.725 0.632) 9.295 7.014 ( -1.604 -0.530 1.120) 2.027 9.830 ( 2.710 3.988 -0.637) 4.864 10.684 ( 12.073 21.115 4.988) 24.829 11.131 ( -2.363 -4.162 -7.205) 8.650 11.719 ( 5.557 7.975 -1.771) 9.880 13.483 ( -12.609 -23.322 3.000) 26.681 15.695 ( -2.053 -1.358 -1.349) 2.807 ======================= Grid point 1466 (478/580) ======================= q-point: ( 0.72 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 2.008 1.331 -2.297) 3.328 4.409 ( 4.935 21.250 0.300) 21.817 4.969 ( 6.702 9.133 -0.447) 11.337 5.704 ( 2.332 8.376 -3.301) 9.300 6.508 ( 2.863 2.041 1.593) 3.860 6.989 ( 0.337 -3.227 2.566) 4.137 9.958 ( 7.535 5.165 -1.977) 9.347 11.016 ( -1.124 -3.553 -0.408) 3.749 11.069 ( 4.277 20.241 1.392) 20.734 11.906 ( 4.840 11.562 -2.872) 12.859 13.064 ( -13.421 -17.255 1.284) 21.898 15.642 ( 1.082 -7.271 0.102) 7.352 ======================= Grid point 1467 (479/580) ======================= q-point: ( 0.78 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 1.222 1.467 -3.063) 3.610 4.627 ( -3.881 20.994 -0.328) 21.353 5.178 ( 7.835 8.235 1.109) 11.421 5.749 ( -4.368 7.474 -5.360) 10.181 6.540 ( 1.270 -2.763 0.910) 3.174 6.989 ( 3.731 -6.746 4.899) 9.134 10.159 ( 10.679 5.357 -3.134) 12.351 10.901 ( -7.672 0.620 -4.416) 8.874 11.363 ( 7.577 12.828 7.688) 16.765 12.026 ( -4.658 11.769 -2.697) 12.941 12.745 ( -8.912 -7.759 -0.285) 11.820 15.596 ( 4.466 -11.508 0.249) 12.347 ======================= Grid point 1480 (480/580) ======================= q-point: ( 0.50 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -0.000 3.488 5.108) 6.185 2.883 ( 0.000 18.588 3.473) 18.910 4.411 ( 0.000 5.999 -2.026) 6.332 4.632 ( 0.000 25.469 -0.962) 25.487 5.963 ( 0.000 25.552 -0.068) 25.552 7.106 ( 0.000 -0.825 -1.940) 2.108 9.441 ( 0.000 18.362 1.802) 18.450 9.907 ( -0.000 -1.200 7.794) 7.885 11.387 ( 0.000 -4.069 -12.416) 13.066 11.470 ( 0.000 -2.176 -1.138) 2.456 14.311 ( -0.000 -25.855 11.075) 28.127 15.939 ( 0.000 7.486 -11.912) 14.069 ======================= Grid point 1481 (481/580) ======================= q-point: ( 0.56 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 1.080 3.055 3.895) 5.067 3.153 ( 9.894 16.550 2.739) 19.475 4.480 ( 1.996 7.549 -2.224) 8.118 4.910 ( 5.816 19.367 0.976) 20.245 6.194 ( 0.201 21.494 -1.787) 21.569 7.092 ( -0.892 0.892 -1.494) 1.955 9.709 ( 9.939 17.690 1.323) 20.334 9.912 ( -2.928 2.826 5.589) 6.914 11.271 ( -2.399 -5.328 -6.697) 8.887 11.493 ( 3.727 -1.076 -2.356) 4.539 14.066 ( -2.023 -27.739 8.389) 29.050 15.942 ( -4.159 7.588 -8.989) 12.477 ======================= Grid point 1482 (482/580) ======================= q-point: ( 0.61 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 1.749 2.433 2.919) 4.183 3.537 ( 15.802 14.918 1.881) 21.813 4.613 ( 4.697 9.472 -2.420) 10.846 5.196 ( 8.400 12.932 2.602) 15.638 6.367 ( -0.357 15.647 -2.726) 15.887 7.083 ( -1.736 2.502 -1.098) 3.237 9.890 ( -4.570 5.875 1.985) 7.703 10.131 ( 17.307 17.044 1.594) 24.342 11.171 ( -1.162 -5.710 -3.434) 6.764 11.558 ( 4.419 2.307 -1.410) 5.181 13.761 ( -4.496 -27.967 5.335) 28.825 15.888 ( -7.058 5.960 -5.487) 10.744 ======================= Grid point 1483 (483/580) ======================= q-point: ( 0.67 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 1.806 1.888 2.016) 3.300 3.972 ( 17.738 14.275 1.186) 22.799 4.793 ( 5.245 11.016 -2.244) 12.406 5.457 ( 9.371 7.535 3.152) 12.431 6.471 ( -0.677 9.459 -2.179) 9.731 7.065 ( -3.163 2.449 -1.243) 4.189 9.888 ( -3.029 7.344 0.350) 7.951 10.614 ( 18.643 15.733 2.317) 24.505 11.096 ( -0.508 -3.664 -3.631) 5.184 11.686 ( 6.119 6.256 0.148) 8.753 13.414 ( -6.835 -25.710 2.760) 26.746 15.786 ( -8.146 2.338 -2.483) 8.831 ======================= Grid point 1484 (484/580) ======================= q-point: ( 0.72 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 1.488 1.669 1.031) 2.462 4.407 ( 16.239 14.741 0.699) 21.943 4.974 ( 3.835 10.821 -1.436) 11.570 5.676 ( 8.205 4.861 2.116) 9.768 6.519 ( -0.625 3.612 -0.670) 3.726 7.009 ( -4.290 -0.029 -1.355) 4.499 9.948 ( 1.082 8.460 -0.020) 8.528 10.961 ( 5.498 -2.071 6.804) 8.989 11.134 ( 6.997 14.183 -7.807) 17.637 11.888 ( 8.587 9.182 0.571) 12.585 13.065 ( -8.003 -20.378 1.159) 21.924 15.646 ( -7.328 -2.632 -0.682) 7.816 ======================= Grid point 1485 (485/580) ======================= q-point: ( 0.78 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 1.063 1.840 -0.000) 2.125 4.793 ( 9.866 17.089 -0.000) 19.733 5.117 ( 3.669 6.355 -0.000) 7.338 5.836 ( 3.624 6.277 -0.000) 7.248 6.512 ( -1.185 -2.052 -0.000) 2.369 6.924 ( -2.368 -4.101 -0.000) 4.735 10.088 ( 5.175 8.964 -0.000) 10.351 10.964 ( -0.738 -1.278 -0.000) 1.476 11.365 ( 4.743 8.215 -0.000) 9.486 12.134 ( 6.786 11.753 -0.000) 13.572 12.783 ( -6.436 -11.148 -0.000) 12.872 15.495 ( -4.179 -7.239 -0.000) 8.358 ======================= Grid point 1500 (486/580) ======================= q-point: ( 0.56 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -0.000 2.576 4.657) 5.322 3.227 ( 0.000 14.635 2.173) 14.796 4.508 ( 0.000 5.181 -1.727) 5.461 5.058 ( 0.000 17.776 2.452) 17.944 6.378 ( 0.000 17.464 -3.376) 17.788 7.113 ( 0.000 3.206 -1.834) 3.693 9.782 ( 0.000 14.995 1.013) 15.030 10.006 ( -0.000 6.842 4.484) 8.180 11.210 ( 0.000 -7.210 -4.587) 8.545 11.452 ( 0.000 0.970 -0.437) 1.064 13.832 ( -0.000 -28.600 5.892) 29.201 16.028 ( 0.000 7.797 -7.060) 10.518 ======================= Grid point 1501 (487/580) ======================= q-point: ( 0.61 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 0.665 2.234 5.113) 5.619 3.451 ( 9.830 12.361 1.531) 15.867 4.592 ( 4.690 5.561 -1.742) 7.480 5.247 ( 2.706 13.395 4.158) 14.284 6.503 ( -0.703 11.996 -4.087) 12.693 7.140 ( -1.105 5.307 -2.369) 5.916 10.016 ( 10.103 13.118 0.155) 16.558 10.064 ( -3.014 9.313 2.646) 10.140 11.123 ( -0.837 -6.587 -0.530) 6.661 11.505 ( 3.994 2.912 -0.120) 4.944 13.553 ( -1.844 -28.213 3.181) 28.452 16.039 ( -4.819 6.779 -4.608) 9.509 ======================= Grid point 1502 (488/580) ======================= q-point: ( 0.67 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 0.903 1.929 5.063) 5.492 3.795 ( 16.672 10.401 0.959) 19.674 4.760 ( 8.266 7.105 -1.932) 11.070 5.430 ( 4.308 8.311 5.629) 10.923 6.564 ( -1.430 7.034 -3.586) 8.023 7.151 ( -3.069 5.446 -3.412) 7.121 10.066 ( -6.578 10.932 1.171) 12.812 10.410 ( 19.769 10.681 -0.066) 22.470 11.058 ( -0.207 -4.348 0.766) 4.420 11.637 ( 6.446 5.214 1.259) 8.386 13.249 ( -3.261 -25.951 0.957) 26.173 15.965 ( -9.056 4.495 -2.380) 10.387 ======================= Grid point 1503 (489/580) ======================= q-point: ( 0.72 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 0.822 1.750 4.341) 4.752 4.205 ( 19.922 8.841 0.593) 21.804 4.979 ( 8.262 9.330 -1.970) 12.617 5.593 ( 5.998 3.325 6.316) 9.324 6.573 ( -1.988 3.071 -2.261) 4.301 7.107 ( -5.852 3.274 -4.554) 8.105 10.081 ( -4.602 11.559 1.822) 12.574 10.808 ( 14.323 0.207 4.190) 14.925 11.088 ( 7.140 7.682 -5.491) 11.838 11.818 ( 7.928 4.882 2.946) 9.765 12.959 ( -3.626 -20.893 -0.148) 21.206 15.809 ( -11.862 1.277 -0.904) 11.965 ======================= Grid point 1520 (490/580) ======================= q-point: ( 0.61 0.61 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -0.000 2.055 6.908) 7.207 3.478 ( 0.000 9.832 1.022) 9.885 4.587 ( 0.000 3.960 -1.364) 4.188 5.367 ( -0.000 11.420 5.618) 12.727 6.591 ( 0.000 7.712 -4.521) 8.940 7.201 ( 0.000 6.929 -3.743) 7.875 10.023 ( 0.000 9.278 -0.203) 9.280 10.222 ( 0.000 12.778 1.765) 12.899 11.068 ( -0.000 -6.306 2.564) 6.807 11.499 ( 0.000 3.507 0.690) 3.574 13.303 ( -0.000 -27.033 0.513) 27.038 16.134 ( 0.000 6.309 -3.026) 6.997 ======================= Grid point 1521 (491/580) ======================= q-point: ( 0.67 0.61 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 0.201 1.847 7.770) 7.989 3.651 ( 10.072 7.367 0.557) 12.492 4.674 ( 6.356 3.832 -1.325) 7.539 5.495 ( 0.938 8.283 7.112) 10.957 6.627 ( -0.925 4.463 -4.170) 6.177 7.238 ( -1.822 6.227 -5.248) 8.344 10.207 ( 12.479 6.435 -0.812) 14.064 10.306 ( -5.844 13.996 1.225) 15.216 11.025 ( -0.051 -4.692 4.708) 6.647 11.587 ( 5.192 4.364 1.602) 6.968 13.039 ( -1.190 -24.062 -1.833) 24.161 16.134 ( -5.661 4.831 -1.478) 7.588 ======================= Grid point 1523 (492/580) ======================= q-point: (-0.28 -0.39 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 0.126 1.561 7.382) 7.546 3.951 ( 17.454 5.124 0.293) 18.193 4.863 ( 11.396 4.539 -1.538) 12.363 5.603 ( 1.146 4.696 8.460) 9.743 6.622 ( -1.821 2.114 -3.280) 4.306 7.215 ( -4.555 3.699 -6.720) 8.921 10.321 ( -7.496 13.245 2.795) 15.473 10.533 ( 18.362 1.709 -0.199) 18.443 11.031 ( 3.566 0.964 2.093) 4.246 11.744 ( 6.797 3.388 2.947) 8.146 12.797 ( -1.152 -18.605 -2.967) 18.875 16.027 ( -10.885 2.788 -0.445) 11.245 ======================= Grid point 1541 (493/580) ======================= q-point: (-0.33 -0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( -0.000 1.620 9.520) 9.657 3.623 ( 0.000 4.599 0.165) 4.602 4.642 ( 0.000 2.458 -1.046) 2.671 5.589 ( -0.000 6.628 8.528) 10.801 6.655 ( 0.000 2.746 -4.281) 5.086 7.288 ( 0.000 4.648 -6.827) 8.259 10.142 ( 0.000 3.517 -1.257) 3.735 10.505 ( 0.000 13.918 0.649) 13.933 11.008 ( -0.000 -3.022 8.672) 9.183 11.580 ( -0.000 3.436 1.680) 3.824 12.820 ( -0.000 -19.974 -4.676) 20.514 16.224 ( 0.000 3.955 -0.478) 3.984 ======================= Grid point 1542 (494/580) ======================= q-point: (-0.28 -0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -0.313 1.115 9.693) 9.762 3.745 ( 10.404 2.077 -0.024) 10.609 4.723 ( 7.353 1.937 -1.015) 7.672 5.674 ( -0.109 4.299 9.889) 10.783 6.652 ( -1.071 1.547 -3.983) 4.405 7.275 ( -2.331 1.660 -8.279) 8.759 10.266 ( 12.066 0.520 -1.461) 12.165 10.571 ( -5.094 8.979 1.929) 10.502 11.026 ( -0.643 2.102 8.744) 9.016 11.675 ( 5.977 2.848 2.540) 7.092 12.631 ( -0.181 -13.652 -6.505) 15.124 16.202 ( -6.285 2.553 0.149) 6.786 ======================= Grid point 1561 (495/580) ======================= q-point: (-0.28 -0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -0.000 0.370 10.669) 10.676 3.660 ( 0.000 -0.735 -0.226) 0.769 4.668 ( 0.000 0.768 -0.872) 1.162 5.746 ( -0.000 2.592 11.233) 11.528 6.661 ( 0.000 1.155 -4.290) 4.442 7.265 ( 0.000 -1.625 -9.596) 9.733 10.151 ( 0.000 -1.336 -1.723) 2.180 10.631 ( -0.000 -4.722 2.011) 5.132 11.170 ( -0.000 14.017 12.705) 18.918 11.638 ( -0.000 0.895 2.099) 2.282 12.506 ( 0.000 -6.392 -9.425) 11.388 16.278 ( 0.000 1.587 0.423) 1.642 ======================= Grid point 1734 (496/580) ======================= q-point: ( 0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -0.000 0.000 15.932) 15.932 1.065 ( -0.000 0.000 15.932) 15.932 2.038 ( -0.000 0.000 31.999) 31.999 3.993 ( 0.000 -0.000 -2.100) 2.100 3.993 ( 0.000 -0.000 -2.100) 2.100 8.280 ( -0.000 0.000 0.487) 0.487 8.280 ( -0.000 0.000 0.487) 0.487 8.299 ( 0.000 -0.000 -11.583) 11.583 11.824 ( 0.000 -0.000 -0.521) 0.521 11.824 ( 0.000 -0.000 -0.521) 0.521 15.220 ( -0.000 0.000 4.136) 4.136 15.558 ( 0.000 -0.000 -2.247) 2.247 ======================= Grid point 1735 (497/580) ======================= q-point: ( 0.33 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 14.594 8.426 11.551) 20.430 1.438 ( 25.926 14.968 13.418) 32.806 2.191 ( 5.655 3.265 25.752) 26.567 3.988 ( 1.116 0.644 -1.919) 2.312 4.123 ( 10.886 6.285 -1.536) 12.664 7.644 ( -17.578 -10.149 -0.019) 20.298 8.351 ( 5.384 3.108 0.405) 6.230 9.319 ( 49.422 28.534 -17.025) 59.553 11.581 ( -18.564 -10.718 -1.397) 21.481 11.787 ( -2.641 -1.525 -0.444) 3.081 15.204 ( -3.065 -1.769 5.859) 6.845 15.703 ( 10.960 6.328 -8.102) 15.027 ======================= Grid point 1736 (498/580) ======================= q-point: ( 0.39 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 18.690 10.791 6.707) 22.600 2.001 ( 14.409 8.319 18.043) 24.543 2.592 ( 27.582 15.924 8.455) 32.952 4.029 ( 3.056 1.765 -1.437) 3.811 4.450 ( 17.812 10.284 0.035) 20.567 7.373 ( -8.154 -4.708 -1.286) 9.503 8.523 ( 9.663 5.579 0.387) 11.165 10.185 ( 25.345 14.633 -7.295) 30.161 11.191 ( -7.473 -4.314 -12.800) 15.437 11.707 ( -4.121 -2.379 -0.372) 4.773 15.131 ( -5.126 -2.960 8.830) 10.631 15.852 ( 3.794 2.190 -13.528) 14.220 ======================= Grid point 1737 (499/580) ======================= q-point: ( 0.44 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 19.062 11.005 3.082) 22.226 2.277 ( 8.004 4.621 14.133) 16.887 3.365 ( 36.163 20.879 0.117) 41.757 4.113 ( 4.572 2.639 -0.766) 5.334 4.898 ( 21.075 12.168 1.809) 24.402 7.220 ( -5.395 -3.115 -2.026) 6.551 8.784 ( 13.217 7.631 0.476) 15.270 10.258 ( -11.387 -6.574 8.505) 15.659 11.335 ( 18.691 10.791 -25.473) 33.387 11.607 ( -4.415 -2.549 -0.367) 5.111 15.050 ( -5.396 -3.116 13.143) 14.546 15.772 ( -5.451 -3.147 -16.020) 17.212 ======================= Grid point 1738 (500/580) ======================= q-point: ( 0.50 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 8.525 4.922 6.547) 11.822 2.615 ( 17.468 10.085 0.748) 20.184 4.143 ( 32.524 18.778 -3.411) 37.710 4.225 ( 5.391 3.113 -0.094) 6.226 5.387 ( 21.128 12.198 3.287) 24.617 7.108 ( -4.042 -2.334 -1.272) 4.838 9.111 ( 15.308 8.838 0.695) 17.690 10.030 ( -9.027 -5.212 7.060) 12.589 11.516 ( -3.332 -1.924 -0.508) 3.881 11.577 ( 8.317 4.802 -21.809) 23.830 14.916 ( -13.299 -7.678 13.657) 20.551 15.602 ( -1.698 -0.980 -13.286) 13.429 ======================= Grid point 1739 (501/580) ======================= q-point: ( 0.56 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 7.941 4.585 -0.134) 9.170 2.980 ( 14.801 8.546 -0.402) 17.096 4.349 ( 5.409 3.123 0.424) 6.260 4.783 ( 25.470 14.705 -6.246) 30.066 5.852 ( 18.599 10.738 4.458) 21.935 7.035 ( -2.224 -1.284 0.808) 2.692 9.461 ( 15.066 8.698 1.016) 17.426 9.933 ( -1.242 -0.717 5.122) 5.319 11.463 ( -1.045 -0.604 -0.846) 1.474 11.569 ( -1.938 -1.119 -18.639) 18.773 14.496 ( -25.326 -14.622 5.482) 29.754 15.668 ( 8.349 4.820 -2.608) 9.987 ======================= Grid point 1740 (502/580) ======================= q-point: ( 0.61 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 6.006 3.468 -5.249) 8.697 3.275 ( 11.537 6.661 -0.633) 13.336 4.466 ( 4.735 2.734 0.742) 5.518 5.242 ( 17.649 10.190 -8.592) 22.117 6.237 ( 13.734 7.929 5.221) 16.696 7.023 ( 0.697 0.402 3.652) 3.739 9.776 ( 12.157 7.019 1.349) 14.103 10.006 ( 6.254 3.611 3.163) 7.884 11.413 ( -5.829 -3.366 -15.585) 16.977 11.467 ( 1.747 1.008 -1.320) 2.411 13.889 ( -28.612 -16.519 2.792) 33.156 15.884 ( 9.873 5.700 1.361) 11.482 ======================= Grid point 1741 (503/580) ======================= q-point: ( 0.67 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 3.749 2.164 -8.634) 9.658 3.493 ( 7.847 4.530 -0.360) 9.068 4.563 ( 3.597 2.077 0.902) 4.251 5.530 ( 11.063 6.387 -10.062) 16.261 6.491 ( 7.160 4.134 5.028) 9.677 7.094 ( 3.795 2.191 6.685) 7.993 10.004 ( 7.550 4.359 1.568) 8.858 10.221 ( 11.802 6.814 1.114) 13.673 11.236 ( -5.042 -2.911 -12.834) 14.093 11.525 ( 3.587 2.071 -1.751) 4.497 13.270 ( -26.489 -15.293 3.772) 30.818 16.088 ( 7.454 4.304 1.302) 8.705 ======================= Grid point 1742 (504/580) ======================= q-point: ( 0.72 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 1.889 1.091 -10.368) 10.595 3.624 ( 3.774 2.179 0.011) 4.357 4.632 ( 2.199 1.270 0.942) 2.708 5.687 ( 6.278 3.624 -10.787) 12.996 6.610 ( 2.569 1.483 4.513) 5.401 7.209 ( 3.198 1.846 8.809) 9.552 10.127 ( 2.907 1.678 1.654) 3.742 10.510 ( 12.331 7.119 -0.599) 14.251 11.114 ( -1.640 -0.947 -11.787) 11.938 11.599 ( 3.127 1.805 -2.005) 4.130 12.763 ( -18.993 -10.965 6.476) 22.867 16.220 ( 4.030 2.327 0.210) 4.658 ======================= Grid point 1753 (505/580) ======================= q-point: ( 0.33 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -0.000 11.051 13.158) 17.183 1.591 ( -0.000 32.809 11.557) 34.785 2.272 ( -0.000 4.415 23.500) 23.911 4.020 ( 0.000 3.201 -2.161) 3.862 4.080 ( 0.000 11.071 -1.060) 11.122 7.649 ( -0.000 -20.121 -0.687) 20.133 8.321 ( 0.000 4.763 0.761) 4.824 9.275 ( 0.000 55.173 -14.682) 57.093 11.579 ( -0.000 -19.789 -1.929) 19.883 11.804 ( 0.000 -2.155 -0.649) 2.250 15.218 ( -0.000 -3.927 6.009) 7.179 15.674 ( 0.000 11.212 -7.443) 13.457 ======================= Grid point 1754 (506/580) ======================= q-point: ( 0.39 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 16.331 13.404 8.967) 22.952 2.018 ( 7.377 23.016 16.071) 29.024 2.482 ( 10.183 16.657 10.005) 21.938 4.039 ( -0.178 5.104 -1.602) 5.352 4.318 ( 11.273 14.751 -0.020) 18.566 7.427 ( -5.966 -9.541 -1.208) 11.318 8.448 ( 6.654 7.391 0.684) 9.968 9.936 ( 21.814 34.643 -10.261) 42.205 11.266 ( -11.026 -13.925 -7.746) 19.377 11.747 ( -2.932 -2.549 -0.588) 3.930 15.175 ( -2.005 -5.821 8.166) 10.227 15.784 ( 3.398 6.785 -11.654) 13.906 ======================= Grid point 1755 (507/580) ======================= q-point: ( 0.44 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 17.151 14.808 4.458) 23.093 2.292 ( 3.798 7.560 16.533) 18.572 3.062 ( 26.256 28.116 -0.617) 38.475 4.109 ( 1.913 6.994 -0.776) 7.292 4.715 ( 16.755 16.352 1.366) 23.452 7.264 ( -4.846 -4.906 -1.892) 7.151 8.682 ( 10.077 10.808 0.579) 14.789 10.314 ( 0.496 -5.452 8.098) 9.775 11.129 ( 7.619 12.258 -23.410) 27.502 11.664 ( -3.973 -1.652 -0.762) 4.370 15.107 ( -2.436 -6.554 11.643) 13.581 15.777 ( -3.189 -0.102 -14.929) 15.266 ======================= Grid point 1756 (508/580) ======================= q-point: ( 0.50 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 10.510 7.806 4.937) 13.991 2.513 ( 9.871 14.031 5.689) 18.074 3.781 ( 28.523 20.748 -3.179) 35.414 4.240 ( 3.821 11.483 -0.056) 12.102 5.187 ( 19.101 15.675 2.592) 24.845 7.146 ( -3.921 -3.087 -1.507) 5.213 8.996 ( 12.219 13.927 0.653) 18.539 10.125 ( -8.579 -11.677 8.139) 16.619 11.374 ( 11.092 7.026 -19.112) 23.188 11.588 ( -3.715 1.502 -2.669) 4.815 15.027 ( -5.046 -10.131 14.570) 18.449 15.616 ( -6.079 -0.613 -15.476) 16.638 ======================= Grid point 1757 (509/580) ======================= q-point: ( 0.56 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 6.852 4.468 1.967) 8.413 2.881 ( 11.768 16.594 0.128) 20.344 4.256 ( 11.880 4.965 -1.130) 12.925 4.567 ( 17.230 22.037 -3.566) 28.199 5.663 ( 18.729 13.360 3.653) 23.295 7.063 ( -2.618 -1.815 0.039) 3.186 9.356 ( 12.407 15.959 0.890) 20.234 9.952 ( -3.181 -6.592 5.478) 9.142 11.452 ( 2.600 -0.790 -9.739) 10.111 11.541 ( -3.032 1.551 -8.374) 9.040 14.733 ( -18.333 -17.366 6.699) 26.126 15.583 ( 4.725 4.414 -5.020) 8.186 ======================= Grid point 1758 (510/580) ======================= q-point: ( 0.61 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 5.842 3.333 -3.142) 7.424 3.212 ( 8.878 15.561 -0.740) 17.930 4.434 ( 5.207 5.742 0.516) 7.769 5.043 ( 16.898 15.713 -6.813) 24.060 6.088 ( 15.916 9.964 4.684) 19.353 7.029 ( -0.297 -0.465 2.252) 2.318 9.712 ( 10.010 16.384 1.159) 19.235 9.935 ( 4.136 -1.876 3.397) 5.671 11.404 ( -3.236 -3.872 -14.602) 15.449 11.479 ( -1.047 2.773 -0.839) 3.080 14.185 ( -25.428 -18.823 1.761) 31.685 15.760 ( 10.161 3.851 1.426) 10.959 ======================= Grid point 1759 (511/580) ======================= q-point: ( 0.67 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 4.182 1.978 -6.838) 8.256 3.475 ( 5.228 14.093 -0.657) 15.046 4.564 ( 2.628 6.857 0.947) 7.404 5.380 ( 11.671 9.640 -8.546) 17.383 6.408 ( 10.386 5.739 5.099) 12.915 7.066 ( 3.230 0.892 4.721) 5.789 10.005 ( 5.443 15.449 1.339) 16.434 10.069 ( 10.606 1.469 1.439) 10.804 11.237 ( -4.865 -5.014 -10.760) 12.829 11.525 ( 1.318 5.978 -2.164) 6.492 13.568 ( -26.183 -17.376 1.735) 31.472 15.968 ( 10.074 1.068 2.152) 10.357 ======================= Grid point 1760 (512/580) ======================= q-point: ( 0.72 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 2.521 0.946 -8.977) 9.372 3.656 ( 1.091 12.244 -0.268) 12.295 4.662 ( 0.269 7.386 1.071) 7.468 5.579 ( 7.273 5.233 -9.409) 12.993 6.582 ( 4.485 1.863 4.511) 6.628 7.175 ( 5.295 1.005 7.060) 8.882 10.194 ( -0.696 13.892 1.630) 14.005 10.316 ( 15.256 2.673 -0.779) 15.508 11.093 ( -3.007 -3.561 -8.528) 9.719 11.608 ( 1.173 7.302 -2.516) 7.812 13.010 ( -21.944 -13.654 3.762) 26.118 16.121 ( 7.802 -1.935 0.982) 8.099 ======================= Grid point 1772 (513/580) ======================= q-point: ( 0.39 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -0.000 18.676 9.382) 20.900 2.227 ( -0.000 13.528 19.940) 24.096 2.626 ( 0.000 29.554 0.621) 29.561 4.085 ( 0.000 4.889 -2.289) 5.399 4.399 ( 0.000 20.936 1.487) 20.989 7.375 ( -0.000 -9.167 -1.599) 9.305 8.477 ( 0.000 10.435 1.275) 10.513 10.072 ( 0.000 28.355 -3.219) 28.537 11.200 ( 0.000 -8.831 -13.304) 15.968 11.735 ( -0.000 -4.228 -0.901) 4.323 15.152 ( -0.000 -7.863 9.242) 12.135 15.789 ( 0.000 6.550 -12.235) 13.878 ======================= Grid point 1773 (514/580) ======================= q-point: ( 0.44 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 12.153 18.967 6.524) 23.452 2.375 ( 1.183 4.522 16.951) 17.583 3.057 ( 10.990 36.718 -3.420) 38.479 4.146 ( 1.902 6.744 -1.714) 7.213 4.696 ( 8.075 22.670 2.227) 24.168 7.268 ( -2.637 -5.856 -2.009) 6.729 8.657 ( 6.721 13.205 1.286) 14.873 10.267 ( 2.042 -3.401 9.683) 10.464 11.121 ( -0.150 12.261 -23.007) 26.070 11.680 ( -1.026 -3.542 -1.220) 3.884 15.094 ( -0.814 -9.511 11.721) 15.116 15.781 ( -1.867 2.409 -14.555) 14.870 ======================= Grid point 1774 (515/580) ======================= q-point: ( 0.50 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 11.020 14.238 3.850) 18.412 2.527 ( 6.398 9.231 9.767) 14.884 3.618 ( 16.944 28.982 -3.970) 33.806 4.283 ( 4.979 11.267 -0.678) 12.337 5.099 ( 12.637 21.274 2.479) 24.868 7.167 ( -3.039 -3.664 -1.793) 5.087 8.957 ( 10.694 16.614 1.168) 19.792 10.146 ( -5.767 -14.522 9.591) 18.334 11.250 ( 5.898 11.334 -18.495) 22.479 11.634 ( -1.357 -0.382 -2.601) 2.958 15.015 ( -1.687 -13.026 14.344) 19.449 15.671 ( -5.975 1.225 -15.940) 17.067 ======================= Grid point 1775 (516/580) ======================= q-point: ( 0.56 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 5.195 5.003 2.916) 7.780 2.874 ( 11.560 19.292 2.282) 22.606 4.095 ( 14.336 14.424 -3.123) 20.575 4.556 ( 10.211 19.839 -1.218) 22.346 5.534 ( 14.747 17.746 2.696) 23.231 7.086 ( -2.505 -2.202 -0.654) 3.399 9.335 ( 12.005 19.959 1.191) 23.322 9.954 ( -4.465 -9.912 5.894) 12.366 11.345 ( 4.218 1.408 -12.346) 13.123 11.596 ( -2.757 0.761 -3.600) 4.598 14.815 ( -9.678 -19.843 9.944) 24.214 15.576 ( -1.434 4.873 -9.537) 10.806 ======================= Grid point 1776 (517/580) ======================= q-point: ( 0.61 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 4.776 3.477 -1.050) 6.000 3.247 ( 8.781 20.467 0.086) 22.272 4.381 ( 8.814 8.355 -0.814) 12.172 4.953 ( 12.463 19.786 -3.959) 23.717 5.947 ( 14.771 13.023 3.370) 19.978 7.039 ( -1.096 -1.028 1.059) 1.838 9.736 ( 10.090 20.791 0.897) 23.128 9.869 ( 1.346 -3.533 3.791) 5.354 11.344 ( 0.694 -2.646 -11.884) 12.195 11.538 ( -2.908 1.593 -1.021) 3.470 14.376 ( -19.260 -21.629 2.751) 29.092 15.653 ( 6.196 3.726 -0.792) 7.274 ======================= Grid point 1777 (518/580) ======================= q-point: ( 0.67 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 3.775 2.207 -4.294) 6.129 3.563 ( 4.932 20.384 -0.561) 20.980 4.582 ( 5.406 8.937 0.533) 10.458 5.288 ( 9.366 13.826 -6.226) 17.822 6.295 ( 12.229 7.905 4.263) 15.173 7.041 ( 1.507 -0.280 2.889) 3.270 9.904 ( 7.684 -1.247 0.400) 7.794 10.120 ( 5.888 22.814 2.506) 23.694 11.231 ( -4.041 -5.316 -8.920) 11.143 11.561 ( 1.107 6.271 -1.569) 6.558 13.811 ( -23.121 -19.863 0.598) 30.487 15.808 ( 9.101 -0.481 2.013) 9.333 ======================= Grid point 1778 (519/580) ======================= q-point: ( 0.72 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 2.488 1.300 -6.401) 6.989 3.802 ( 0.495 19.438 -0.500) 19.451 4.744 ( 2.019 10.618 1.239) 10.879 5.498 ( 5.904 8.017 -7.661) 12.562 6.524 ( 6.799 2.924 4.106) 8.463 7.109 ( 5.053 -0.334 4.999) 7.116 10.077 ( 13.155 0.193 -1.114) 13.203 10.400 ( -0.502 22.680 1.841) 22.760 11.089 ( -3.470 -4.127 -5.066) 7.398 11.658 ( 1.670 8.904 -2.796) 9.481 13.248 ( -22.046 -16.278 1.239) 27.433 15.944 ( 9.019 -4.808 1.628) 10.349 ======================= Grid point 1791 (520/580) ======================= q-point: ( 0.44 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -0.000 21.028 6.673) 22.062 2.445 ( -0.000 2.058 13.279) 13.438 3.340 ( 0.000 39.519 -3.616) 39.684 4.176 ( 0.000 5.970 -2.365) 6.421 4.886 ( 0.000 26.629 2.848) 26.781 7.228 ( 0.000 -5.074 -2.223) 5.540 8.741 ( 0.000 15.327 1.708) 15.422 10.227 ( -0.000 -11.236 12.481) 16.793 11.189 ( 0.000 16.753 -23.319) 28.712 11.634 ( -0.000 -5.081 -1.132) 5.206 15.035 ( -0.000 -12.299 13.020) 17.911 15.777 ( 0.000 2.936 -15.389) 15.667 ======================= Grid point 1792 (521/580) ======================= q-point: ( 0.50 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 7.666 18.474 4.690) 20.544 2.533 ( 4.188 4.589 8.900) 10.854 3.742 ( 4.659 34.168 -3.239) 34.636 4.279 ( 5.700 8.428 -1.739) 10.322 5.200 ( 4.643 26.464 2.397) 26.975 7.163 ( -1.554 -3.624 -2.114) 4.474 8.971 ( 7.389 17.604 1.644) 19.163 10.114 ( -3.088 -13.728 10.364) 17.476 11.263 ( -0.352 11.449 -16.825) 20.354 11.602 ( 1.773 -3.071 -2.345) 4.251 14.939 ( -0.741 -16.413 14.172) 21.697 15.724 ( -3.606 3.765 -15.942) 16.773 ======================= Grid point 1793 (522/580) ======================= q-point: ( 0.56 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 2.897 5.340 3.413) 6.968 2.851 ( 13.804 17.862 3.929) 22.913 4.089 ( 5.397 20.857 -3.020) 21.755 4.547 ( 11.734 16.492 -0.713) 20.253 5.554 ( 7.336 23.221 1.533) 24.400 7.098 ( -1.883 -2.229 -1.341) 3.212 9.332 ( 12.234 20.400 1.377) 23.827 9.956 ( -4.638 -9.590 6.380) 12.417 11.284 ( 0.561 2.579 -9.672) 10.025 11.599 ( 0.810 -1.384 -3.367) 3.729 14.760 ( -4.325 -22.184 11.667) 25.435 15.648 ( -4.407 6.289 -12.297) 14.498 ======================= Grid point 1794 (523/580) ======================= q-point: ( 0.61 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 3.260 3.661 0.730) 4.956 3.274 ( 12.606 19.945 1.480) 23.641 4.337 ( 6.628 12.568 -1.852) 14.329 4.935 ( 12.266 18.783 -1.077) 22.459 5.898 ( 8.958 17.761 1.198) 19.928 7.052 ( -1.360 -1.090 -0.086) 1.745 9.755 ( 10.089 17.291 0.411) 20.024 9.854 ( 0.929 1.077 4.084) 4.324 11.273 ( 0.706 -1.790 -7.398) 7.644 11.576 ( -0.843 -0.296 -1.711) 1.930 14.423 ( -11.517 -24.852 5.428) 27.924 15.638 ( -0.295 5.622 -4.822) 7.412 ======================= Grid point 1795 (524/580) ======================= q-point: ( 0.67 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 2.888 2.596 -1.576) 4.191 3.661 ( 8.773 21.451 0.110) 23.176 4.561 ( 7.235 10.215 -0.447) 12.526 5.277 ( 8.441 15.623 -2.645) 17.953 6.205 ( 9.705 11.256 2.024) 15.000 7.032 ( -0.136 -0.703 1.160) 1.363 9.803 ( 2.680 -1.120 0.366) 2.928 10.232 ( 10.486 24.862 2.286) 27.079 11.207 ( -2.124 -4.703 -6.069) 7.967 11.591 ( 1.389 4.503 -0.804) 4.781 13.949 ( -17.221 -23.208 1.202) 28.924 15.697 ( 3.814 0.846 0.079) 3.907 ======================= Grid point 1796 (525/580) ======================= q-point: ( 0.72 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 2.025 1.849 -3.274) 4.271 3.980 ( 3.557 22.272 -0.470) 22.559 4.778 ( 6.476 10.186 0.853) 12.100 5.497 ( 3.467 11.394 -4.628) 12.778 6.446 ( 7.884 4.923 2.855) 9.724 7.045 ( 2.522 -1.491 2.570) 3.897 9.894 ( 8.206 0.941 -0.801) 8.298 10.618 ( 4.557 25.347 1.670) 25.808 11.091 ( -3.281 -4.545 -2.610) 6.183 11.697 ( 3.174 8.862 -1.951) 9.614 13.429 ( -19.123 -19.359 -0.096) 27.211 15.766 ( 6.021 -4.913 1.399) 7.896 ======================= Grid point 1811 (526/580) ======================= q-point: ( 0.50 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 0.000 20.446 4.783) 20.998 2.551 ( -0.000 2.596 6.216) 6.736 4.046 ( 0.000 34.036 -1.437) 34.066 4.282 ( 0.000 6.382 -2.276) 6.776 5.440 ( 0.000 27.711 1.497) 27.752 7.136 ( 0.000 -2.923 -2.235) 3.679 9.085 ( 0.000 18.298 1.755) 18.382 10.054 ( -0.000 -10.874 9.131) 14.199 11.321 ( 0.000 7.569 -13.727) 15.675 11.532 ( -0.000 -4.355 -1.143) 4.503 14.814 ( -0.000 -20.512 13.542) 24.579 15.751 ( 0.000 6.229 -15.271) 16.493 ======================= Grid point 1812 (527/580) ======================= q-point: ( 0.56 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 0.483 4.147 3.803) 5.647 2.821 ( 10.466 18.067 3.899) 21.240 4.262 ( -2.601 17.354 -1.946) 17.655 4.507 ( 11.235 18.724 -0.131) 21.837 5.725 ( 2.049 25.618 0.049) 25.700 7.097 ( -0.927 -1.746 -1.886) 2.732 9.347 ( 8.569 19.308 1.421) 21.172 9.966 ( -3.213 -6.468 6.164) 9.495 11.298 ( -2.457 1.075 -6.914) 7.416 11.528 ( 3.261 -2.835 -2.389) 4.937 14.620 ( -1.934 -24.941 11.116) 27.375 15.746 ( -3.247 8.240 -12.472) 15.297 ======================= Grid point 1813 (528/580) ======================= q-point: ( 0.61 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 1.704 3.617 2.301) 4.613 3.224 ( 14.720 17.606 2.336) 23.067 4.392 ( 1.976 12.820 -1.924) 13.113 4.897 ( 12.238 18.033 1.324) 21.834 5.995 ( 2.913 21.067 -1.187) 21.301 7.063 ( -1.136 -0.475 -1.147) 1.683 9.739 ( 12.706 18.732 0.543) 22.641 9.881 ( -2.367 -0.067 3.262) 4.030 11.243 ( -1.337 -2.188 -2.647) 3.685 11.546 ( 2.371 -1.412 -1.885) 3.342 14.330 ( -5.746 -27.580 6.787) 28.978 15.727 ( -4.129 7.977 -7.460) 11.676 ======================= Grid point 1814 (529/580) ======================= q-point: ( 0.67 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 1.838 2.925 1.106) 3.627 3.657 ( 14.769 18.119 0.977) 23.396 4.565 ( 4.668 11.755 -1.197) 12.704 5.256 ( 10.741 13.936 1.400) 17.651 6.222 ( 3.696 14.869 -1.239) 15.372 7.040 ( -1.104 0.075 -0.503) 1.216 9.802 ( -2.160 1.537 0.569) 2.711 10.241 ( 16.199 21.842 0.682) 27.202 11.181 ( -1.767 -4.449 -1.117) 4.916 11.589 ( 2.955 3.056 -0.516) 4.283 13.942 ( -10.199 -26.819 2.577) 28.809 15.711 ( -2.920 4.266 -2.674) 5.820 ======================= Grid point 1815 (530/580) ======================= q-point: ( 0.72 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 1.352 2.342 -0.000) 2.704 4.068 ( 11.365 19.685 -0.000) 22.730 4.764 ( 6.088 10.544 -0.000) 12.175 5.526 ( 6.280 10.878 -0.000) 12.560 6.401 ( 4.575 7.924 -0.000) 9.150 7.020 ( -0.590 -1.022 -0.000) 1.180 9.827 ( 2.166 3.752 -0.000) 4.333 10.712 ( 12.870 22.291 -0.000) 25.739 11.092 ( -2.749 -4.761 -0.000) 5.497 11.710 ( 4.739 8.208 -0.000) 9.478 13.498 ( -13.345 -23.115 -0.000) 26.690 15.688 ( -0.951 -1.648 -0.000) 1.903 ======================= Grid point 1831 (531/580) ======================= q-point: ( 0.56 0.56 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -0.000 3.238 3.873) 5.048 2.917 ( 0.000 17.927 3.257) 18.221 4.391 ( 0.000 6.144 -1.998) 6.461 4.637 ( 0.000 26.278 1.867) 26.345 5.954 ( 0.000 24.271 -1.627) 24.325 7.085 ( 0.000 -0.635 -2.093) 2.187 9.457 ( 0.000 18.220 1.246) 18.262 9.972 ( -0.000 -2.066 4.692) 5.126 11.301 ( 0.000 -2.555 -4.129) 4.856 11.461 ( 0.000 -2.032 -0.723) 2.157 14.414 ( -0.000 -27.781 8.964) 29.191 15.823 ( 0.000 9.677 -10.695) 14.423 ======================= Grid point 1832 (532/580) ======================= q-point: ( 0.61 0.56 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 0.542 3.431 3.851) 5.186 3.179 ( 9.732 15.985 2.368) 18.863 4.459 ( 1.826 7.647 -1.833) 8.073 4.933 ( 5.843 20.221 3.481) 21.334 6.169 ( 0.330 20.354 -3.091) 20.590 7.074 ( -0.620 0.932 -2.011) 2.302 9.718 ( 9.680 17.401 0.546) 19.920 9.954 ( -3.405 2.204 2.385) 4.705 11.238 ( -1.642 -4.509 0.601) 4.836 11.477 ( 3.144 -0.478 -0.849) 3.291 14.138 ( -2.379 -29.580 5.795) 30.236 15.857 ( -3.477 9.544 -7.510) 12.633 ======================= Grid point 1833 (533/580) ======================= q-point: ( 0.67 0.56 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 0.830 3.135 3.775) 4.976 3.553 ( 15.553 14.598 1.334) 21.372 4.593 ( 4.686 9.396 -1.552) 10.613 5.233 ( 8.000 13.897 4.599) 16.682 6.335 ( 0.169 15.006 -3.628) 15.440 7.067 ( -1.333 2.060 -2.103) 3.231 9.903 ( -4.958 5.739 0.668) 7.613 10.136 ( 17.209 16.639 -0.530) 23.944 11.168 ( -1.784 -5.431 3.064) 6.486 11.552 ( 4.588 3.105 0.152) 5.541 13.801 ( -4.999 -29.234 2.541) 29.767 15.839 ( -6.036 7.178 -4.019) 10.203 ======================= Grid point 1851 (534/580) ======================= q-point: ( 0.61 0.61 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -0.000 3.373 5.318) 6.298 3.248 ( 0.000 14.070 1.892) 14.197 4.491 ( 0.000 5.339 -1.605) 5.575 5.097 ( 0.000 18.517 5.191) 19.231 6.338 ( 0.000 16.691 -4.398) 17.261 7.090 ( 0.000 2.940 -2.736) 4.016 9.788 ( 0.000 14.673 0.211) 14.675 10.035 ( 0.000 6.362 1.189) 6.472 11.204 ( -0.000 -6.259 3.475) 7.158 11.451 ( 0.000 1.299 0.205) 1.316 13.879 ( -0.000 -30.576 3.439) 30.768 15.961 ( 0.000 9.727 -5.850) 11.351 ======================= Grid point 1853 (535/580) ======================= q-point: (-0.33 -0.39 -0.72) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 0.121 3.211 6.320) 7.090 3.465 ( 9.745 11.910 1.177) 15.433 4.576 ( 4.561 5.680 -1.442) 7.426 5.303 ( 2.687 14.102 6.640) 15.817 6.458 ( -0.458 11.857 -4.781) 12.792 7.109 ( -0.961 4.498 -3.681) 5.891 10.014 ( 10.188 12.774 -0.531) 16.348 10.077 ( -3.497 9.244 0.109) 9.884 11.150 ( -1.027 -6.180 5.883) 8.594 11.510 ( 4.052 3.517 0.996) 5.457 13.573 ( -1.876 -29.979 0.806) 30.048 15.997 ( -4.473 8.294 -3.582) 10.081 ======================= Grid point 1872 (536/580) ======================= q-point: (-0.33 -0.33 -0.72) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -0.000 3.083 8.265) 8.821 3.487 ( 0.000 9.398 0.744) 9.427 4.574 ( 0.000 4.095 -1.215) 4.271 5.437 ( -0.000 12.050 8.128) 14.535 6.542 ( 0.000 7.962 -5.001) 9.403 7.155 ( 0.000 5.842 -5.332) 7.909 10.017 ( 0.000 8.945 -0.957) 8.996 10.229 ( 0.000 12.896 -0.216) 12.898 11.126 ( -0.000 -5.632 8.585) 10.267 11.510 ( -0.000 3.858 1.314) 4.075 13.297 ( -0.000 -28.948 -1.637) 28.995 16.107 ( 0.000 7.674 -2.277) 8.004 ======================= Grid point 2084 (537/580) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -0.000 0.000 12.618) 12.618 1.210 ( -0.000 0.000 12.618) 12.618 2.334 ( -0.000 0.000 25.971) 25.971 3.972 ( 0.000 -0.000 -1.950) 1.950 3.972 ( 0.000 -0.000 -1.950) 1.950 8.184 ( 0.000 -0.000 -10.692) 10.692 8.285 ( -0.000 0.000 0.434) 0.434 8.285 ( -0.000 0.000 0.434) 0.434 11.819 ( 0.000 -0.000 -0.461) 0.461 11.819 ( 0.000 -0.000 -0.461) 0.461 15.263 ( -0.000 0.000 4.248) 4.248 15.533 ( 0.000 -0.000 -2.608) 2.608 ======================= Grid point 2085 (538/580) ======================= q-point: ( 0.39 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 12.813 7.398 8.349) 16.989 1.564 ( 25.854 14.927 11.275) 31.912 2.426 ( 1.766 1.020 20.233) 20.335 3.971 ( 1.272 0.734 -1.406) 2.033 4.108 ( 11.398 6.580 -1.421) 13.237 7.635 ( -17.119 -9.884 -1.556) 19.829 8.354 ( 5.351 3.089 0.134) 6.180 9.176 ( 46.950 27.107 -11.213) 55.361 11.568 ( -19.776 -11.418 -1.025) 22.858 11.783 ( -2.603 -1.503 -0.250) 3.017 15.266 ( -1.915 -1.106 6.259) 6.638 15.625 ( 7.708 4.450 -7.297) 11.509 ======================= Grid point 2086 (539/580) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 17.258 9.964 3.889) 20.304 2.174 ( 16.845 9.726 15.933) 25.144 2.661 ( 20.710 11.957 4.874) 24.406 4.019 ( 3.262 1.883 -0.633) 3.820 4.450 ( 18.579 10.726 -0.015) 21.453 7.358 ( -8.470 -4.890 -1.546) 9.902 8.525 ( 9.708 5.605 -0.072) 11.210 10.118 ( 34.753 20.065 -5.721) 40.535 11.086 ( -17.127 -9.888 -7.990) 21.330 11.705 ( -4.120 -2.379 -0.061) 4.758 15.223 ( -3.592 -2.074 9.213) 10.104 15.721 ( 1.967 1.135 -12.281) 12.489 ======================= Grid point 2087 (540/580) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 18.182 10.497 0.697) 21.006 2.413 ( 4.901 2.829 12.247) 13.491 3.356 ( 34.897 20.148 -1.856) 40.338 4.110 ( 4.763 2.750 0.173) 5.502 4.914 ( 21.813 12.593 1.398) 25.226 7.203 ( -5.338 -3.082 -1.394) 6.319 8.786 ( 13.351 7.708 -0.123) 15.417 10.354 ( -12.169 -7.026 10.297) 17.420 11.091 ( 19.769 11.414 -22.282) 31.899 11.606 ( -4.483 -2.588 0.034) 5.177 15.186 ( -3.439 -1.986 13.589) 14.158 15.612 ( -6.377 -3.682 -15.430) 17.097 ======================= Grid point 2088 (541/580) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 5.561 3.211 4.872) 8.060 2.613 ( 17.097 9.871 -1.081) 19.772 4.105 ( 31.462 18.165 -3.888) 36.537 4.229 ( 5.511 3.182 0.803) 6.414 5.418 ( 21.797 12.585 2.640) 25.308 7.100 ( -3.497 -2.019 -0.262) 4.046 9.114 ( 15.522 8.962 0.000) 17.924 10.098 ( -10.032 -5.792 5.938) 13.017 11.379 ( 9.260 5.346 -16.691) 19.822 11.513 ( -3.499 -2.020 -0.046) 4.041 15.028 ( -17.384 -10.037 7.079) 21.285 15.497 ( 3.591 2.073 -6.349) 7.583 ======================= Grid point 2089 (542/580) ======================= q-point: ( 0.61 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 5.543 3.200 -1.155) 6.503 2.969 ( 14.829 8.562 -1.634) 17.201 4.357 ( 5.444 3.143 1.156) 6.391 4.721 ( 24.403 14.089 -5.790) 28.767 5.895 ( 19.209 11.090 3.933) 22.527 7.047 ( -1.320 -0.762 1.496) 2.136 9.467 ( 15.331 8.851 0.267) 17.704 9.978 ( -1.893 -1.093 3.499) 4.125 11.404 ( -1.369 -0.790 -13.396) 13.489 11.457 ( -1.311 -0.757 -0.347) 1.552 14.521 ( -26.270 -15.167 -0.523) 30.338 15.670 ( 10.027 5.789 3.110) 11.989 ======================= Grid point 2090 (543/580) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 4.268 2.464 -5.537) 7.412 3.265 ( 11.787 6.805 -1.360) 13.679 4.476 ( 4.712 2.721 1.266) 5.587 5.161 ( 16.758 9.675 -7.310) 20.685 6.290 ( 13.989 8.076 5.031) 16.918 7.059 ( 1.857 1.072 3.356) 3.983 9.786 ( 12.417 7.169 0.615) 14.351 10.032 ( 5.633 3.252 1.715) 6.727 11.278 ( -5.291 -3.055 -10.627) 12.259 11.456 ( 1.443 0.833 -0.821) 1.857 13.900 ( -27.858 -16.084 -0.545) 32.173 15.911 ( 9.557 5.518 3.907) 11.707 ======================= Grid point 2103 (544/580) ======================= q-point: ( 0.39 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -0.000 10.162 10.614) 14.695 1.688 ( 0.000 33.134 7.664) 34.009 2.484 ( -0.000 -0.339 17.945) 17.948 3.998 ( 0.000 3.102 -2.090) 3.741 4.072 ( 0.000 12.033 -0.400) 12.040 7.635 ( -0.000 -19.376 -1.963) 19.475 8.330 ( 0.000 4.987 0.829) 5.056 9.152 ( 0.000 53.130 -9.650) 53.999 11.564 ( -0.000 -21.959 -1.154) 21.990 11.797 ( -0.000 -2.273 -0.647) 2.363 15.281 ( -0.000 -2.511 6.376) 6.853 15.601 ( 0.000 7.973 -6.910) 10.550 ======================= Grid point 2104 (545/580) ======================= q-point: ( 0.44 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 13.932 13.060 6.673) 20.228 2.156 ( 10.718 29.499 10.970) 33.248 2.571 ( 5.665 5.912 7.316) 10.980 4.025 ( 0.400 4.915 -1.199) 5.075 4.319 ( 11.202 15.877 0.255) 19.433 7.412 ( -6.019 -9.720 -1.584) 11.542 8.454 ( 6.269 7.773 0.516) 9.999 9.848 ( 23.977 40.114 -6.902) 47.241 11.204 ( -13.394 -20.433 -4.683) 24.877 11.742 ( -2.706 -2.808 -0.428) 3.923 15.260 ( -1.262 -4.420 8.517) 9.678 15.672 ( 1.986 4.755 -10.556) 11.746 ======================= Grid point 2105 (546/580) ======================= q-point: ( 0.50 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 15.276 15.030 2.197) 21.543 2.446 ( 1.440 5.562 13.601) 14.765 3.043 ( 26.311 26.423 -2.875) 37.400 4.105 ( 2.394 6.908 -0.146) 7.313 4.728 ( 16.989 17.168 0.993) 24.173 7.246 ( -4.787 -5.039 -1.404) 7.091 8.686 ( 9.832 11.238 0.127) 14.932 10.411 ( 4.329 -0.728 11.036) 11.877 10.903 ( 3.988 8.163 -20.866) 22.758 11.659 ( -3.854 -2.235 -0.235) 4.461 15.228 ( -0.916 -4.822 12.021) 12.984 15.630 ( -4.371 -1.482 -14.047) 14.786 ======================= Grid point 2106 (547/580) ======================= q-point: ( 0.56 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 12.435 11.042 0.609) 16.641 2.572 ( 4.318 9.198 5.297) 11.459 3.748 ( 28.368 20.221 -2.996) 34.966 4.242 ( 3.906 11.112 0.447) 11.787 5.209 ( 19.554 16.186 1.733) 25.443 7.135 ( -3.483 -2.988 -0.560) 4.623 8.999 ( 12.132 14.387 -0.011) 18.820 10.202 ( -10.204 -12.679 6.499) 17.525 11.196 ( 12.890 9.837 -14.554) 21.788 11.576 ( -4.173 -0.285 -0.398) 4.202 15.163 ( -7.647 -11.663 11.200) 17.887 15.473 ( -2.450 1.490 -11.428) 11.782 ======================= Grid point 2107 (548/580) ======================= q-point: ( 0.61 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 5.050 3.072 0.296) 5.919 2.875 ( 10.849 17.033 -1.267) 20.234 4.248 ( 13.877 5.140 -0.380) 14.803 4.534 ( 14.556 21.200 -2.784) 25.866 5.696 ( 19.403 13.698 2.741) 23.909 7.067 ( -1.875 -1.543 0.853) 2.574 9.361 ( 12.431 16.437 0.075) 20.609 9.998 ( -3.887 -7.018 3.044) 8.580 11.333 ( 3.668 -0.046 -10.290) 10.925 11.511 ( -3.980 1.132 -0.613) 4.183 14.763 ( -21.142 -17.333 -1.050) 27.359 15.571 ( 8.429 4.694 2.703) 10.020 ======================= Grid point 2108 (549/580) ======================= q-point: ( 0.67 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 4.014 2.521 -3.608) 5.957 3.200 ( 8.804 15.975 -1.646) 18.314 4.443 ( 5.571 5.494 1.248) 7.923 4.979 ( 15.628 15.465 -5.526) 22.670 6.133 ( 16.580 10.148 4.077) 19.862 7.052 ( 0.607 -0.108 2.278) 2.360 9.719 ( 10.108 16.735 0.288) 19.553 9.959 ( 3.673 -2.122 1.189) 4.406 11.285 ( -2.888 -3.383 -8.468) 9.565 11.474 ( -1.496 2.516 -0.110) 2.929 14.181 ( -25.367 -18.023 -2.400) 31.210 15.793 ( 10.630 3.093 4.929) 12.118 ======================= Grid point 2123 (550/580) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -0.000 17.704 7.812) 19.351 2.406 ( -0.000 21.435 14.870) 26.088 2.617 ( 0.000 18.086 -2.230) 18.223 4.062 ( 0.000 4.811 -2.244) 5.309 4.416 ( 0.000 21.864 1.731) 21.932 7.357 ( -0.000 -9.383 -1.704) 9.536 8.490 ( 0.000 10.670 1.320) 10.751 10.047 ( 0.000 38.652 -1.702) 38.690 11.089 ( 0.000 -19.338 -8.524) 21.134 11.725 ( -0.000 -4.361 -0.890) 4.451 15.248 ( -0.000 -6.070 9.550) 11.316 15.670 ( 0.000 4.251 -11.200) 11.979 ======================= Grid point 2124 (551/580) ======================= q-point: ( 0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 10.562 18.525 5.101) 21.926 2.523 ( 0.154 1.317 11.457) 11.534 3.018 ( 11.268 37.097 -3.797) 38.955 4.129 ( 2.618 6.563 -1.549) 7.234 4.717 ( 7.792 23.347 1.780) 24.677 7.250 ( -2.551 -6.074 -1.592) 6.778 8.669 ( 6.389 13.524 1.098) 14.998 10.381 ( 3.696 2.510 12.631) 13.398 10.901 ( -1.400 7.355 -20.289) 21.626 11.669 ( -1.017 -3.993 -0.859) 4.209 15.215 ( -0.122 -7.565 12.150) 14.313 15.637 ( -2.569 0.504 -13.802) 14.048 ======================= Grid point 2125 (552/580) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 10.365 15.078 1.971) 18.403 2.608 ( 4.046 6.667 5.701) 9.660 3.583 ( 16.963 28.843 -2.566) 33.560 4.277 ( 5.553 11.015 -0.437) 12.344 5.119 ( 12.618 21.594 1.396) 25.049 7.152 ( -2.672 -3.732 -1.006) 4.699 8.966 ( 10.419 17.025 0.617) 19.969 10.236 ( -7.831 -16.240 7.414) 19.494 11.087 ( 7.959 14.766 -12.357) 20.835 11.617 ( -1.482 -1.629 -0.946) 2.397 15.158 ( -2.127 -13.455 13.560) 19.221 15.515 ( -4.952 1.980 -14.419) 15.373 ======================= Grid point 2126 (553/580) ======================= q-point: ( 0.61 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 4.131 4.428 0.827) 6.112 2.889 ( 9.919 19.274 0.425) 21.681 4.072 ( 15.082 14.725 -1.344) 21.121 4.546 ( 9.339 19.157 -0.709) 21.324 5.555 ( 15.233 17.778 1.432) 23.456 7.083 ( -1.854 -2.143 0.078) 2.835 9.343 ( 11.899 20.381 0.310) 23.602 10.000 ( -5.444 -10.353 2.692) 12.003 11.243 ( 4.166 2.699 -6.669) 8.313 11.576 ( -2.503 0.158 -0.700) 2.603 14.880 ( -13.876 -20.079 2.242) 24.510 15.515 ( 3.606 5.300 -1.745) 6.644 ======================= Grid point 2127 (554/580) ======================= q-point: ( 0.67 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 3.276 3.061 -1.715) 4.800 3.242 ( 8.159 20.957 -1.168) 22.520 4.380 ( 9.666 8.166 0.534) 12.665 4.918 ( 10.833 19.723 -2.813) 22.678 5.976 ( 15.693 12.960 2.393) 20.493 7.051 ( -0.325 -0.953 1.194) 1.562 9.741 ( 9.854 20.190 0.094) 22.467 9.894 ( 1.157 -2.665 0.757) 3.003 11.256 ( -0.214 -2.315 -5.121) 5.624 11.535 ( -2.456 1.591 0.342) 2.946 14.377 ( -20.726 -20.483 -2.445) 29.242 15.669 ( 8.290 2.502 3.810) 9.460 ======================= Grid point 2143 (555/580) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.000 20.323 5.652) 21.095 2.548 ( -0.000 -0.229 6.540) 6.544 3.311 ( 0.000 40.151 -1.752) 40.189 4.152 ( 0.000 5.955 -2.268) 6.372 4.911 ( 0.000 26.675 1.921) 26.744 7.208 ( 0.000 -5.300 -1.706) 5.568 8.757 ( 0.000 15.458 1.563) 15.537 10.362 ( -0.000 -13.267 13.523) 18.944 10.974 ( 0.000 20.019 -18.585) 27.316 11.623 ( -0.000 -5.164 -1.021) 5.263 15.171 ( -0.000 -10.845 13.578) 17.377 15.622 ( 0.000 1.418 -15.023) 15.090 ======================= Grid point 2144 (556/580) ======================= q-point: ( 0.56 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 6.566 17.979 3.633) 19.482 2.598 ( 4.023 3.511 3.796) 6.551 3.720 ( 4.134 34.484 -0.901) 34.743 4.263 ( 6.352 8.563 -1.519) 10.769 5.218 ( 4.535 26.112 1.029) 26.523 7.145 ( -1.315 -3.778 -1.459) 4.257 8.986 ( 7.158 17.728 1.233) 19.159 10.207 ( -4.378 -15.713 6.993) 17.748 11.127 ( 1.344 15.140 -8.878) 17.602 11.585 ( 1.301 -3.749 -1.188) 4.142 15.081 ( -0.982 -17.053 13.527) 21.789 15.567 ( -3.110 4.441 -14.771) 15.735 ======================= Grid point 2145 (557/580) ======================= q-point: ( 0.61 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 2.170 5.277 1.296) 5.852 2.881 ( 12.673 17.538 1.926) 21.723 4.069 ( 5.299 20.851 -0.839) 21.530 4.543 ( 11.802 16.888 -0.049) 20.603 5.562 ( 7.538 22.622 0.039) 23.845 7.087 ( -1.365 -2.310 -0.773) 2.793 9.342 ( 12.030 20.499 0.558) 23.774 10.002 ( -5.679 -10.166 2.354) 11.880 11.220 ( 0.759 4.356 -2.298) 4.983 11.578 ( 0.989 -1.876 -1.049) 2.366 14.856 ( -6.905 -23.340 6.628) 25.226 15.545 ( -1.220 7.475 -7.256) 10.489 ======================= Grid point 2146 (558/580) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 2.191 3.795 -0.000) 4.382 3.282 ( 11.702 20.268 -0.000) 23.404 4.328 ( 7.143 12.371 -0.000) 14.285 4.929 ( 11.166 19.341 -0.000) 22.333 5.905 ( 9.869 17.093 -0.000) 19.738 7.051 ( -0.705 -1.221 -0.000) 1.410 9.757 ( 9.698 16.797 -0.000) 19.396 9.876 ( 0.873 1.512 -0.000) 1.746 11.234 ( -0.555 -0.961 -0.000) 1.110 11.567 ( -0.237 -0.410 -0.000) 0.474 14.451 ( -13.986 -24.225 -0.000) 27.973 15.613 ( 2.810 4.867 -0.000) 5.619 ======================= Grid point 2163 (559/580) ======================= q-point: ( 0.56 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 0.000 19.887 4.027) 20.291 2.593 ( -0.000 2.348 1.994) 3.080 4.045 ( 0.000 34.735 1.162) 34.754 4.260 ( 0.000 6.441 -2.077) 6.767 5.447 ( 0.000 26.864 -0.048) 26.864 7.116 ( 0.000 -3.080 -1.669) 3.503 9.100 ( 0.000 18.255 1.314) 18.303 10.126 ( -0.000 -12.228 4.554) 13.048 11.230 ( 0.000 9.983 -3.759) 10.667 11.522 ( -0.000 -4.311 -0.841) 4.392 14.944 ( -0.000 -22.081 11.756) 25.016 15.604 ( 0.000 7.714 -13.324) 15.396 ======================= Grid point 2164 (560/580) ======================= q-point: ( 0.61 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 0.091 4.558 1.693) 4.863 2.855 ( 10.035 17.674 2.716) 20.504 4.249 ( -2.801 16.316 -0.603) 16.565 4.513 ( 11.362 20.628 1.365) 23.589 5.717 ( 2.099 24.572 -1.455) 24.704 7.079 ( -0.635 -1.899 -1.498) 2.501 9.358 ( 8.343 19.184 0.722) 20.932 10.006 ( -3.843 -7.073 1.546) 8.197 11.269 ( -1.742 2.613 1.768) 3.604 11.512 ( 2.839 -2.902 -0.823) 4.143 14.717 ( -2.894 -26.629 7.511) 27.819 15.634 ( -1.962 9.834 -9.113) 13.550 ======================= Grid point 2184 (561/580) ======================= q-point: (-0.39 -0.39 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -0.000 4.283 2.434) 4.926 2.947 ( 0.000 17.416 2.625) 17.613 4.371 ( 0.000 6.247 -1.703) 6.475 4.669 ( 0.000 27.168 4.273) 27.502 5.930 ( 0.000 23.121 -2.952) 23.309 7.064 ( 0.000 -0.863 -1.947) 2.130 9.466 ( 0.000 17.990 0.523) 17.997 9.997 ( -0.000 -2.471 0.140) 2.475 11.307 ( -0.000 -1.627 5.354) 5.596 11.456 ( -0.000 -1.802 -0.203) 1.813 14.489 ( -0.000 -29.580 5.560) 30.098 15.727 ( 0.000 11.338 -7.822) 13.775 ======================= Grid point 2437 (562/580) ======================= q-point: ( 0.39 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -0.000 0.000 8.770) 8.770 1.319 ( -0.000 0.000 8.770) 8.770 2.560 ( -0.000 0.000 18.454) 18.454 3.954 ( 0.000 -0.000 -1.516) 1.516 3.954 ( 0.000 -0.000 -1.516) 1.516 8.086 ( 0.000 -0.000 -8.292) 8.292 8.289 ( -0.000 0.000 0.325) 0.325 8.289 ( -0.000 0.000 0.325) 0.325 11.815 ( 0.000 -0.000 -0.344) 0.344 11.815 ( 0.000 -0.000 -0.344) 0.344 15.305 ( -0.000 0.000 3.967) 3.967 15.506 ( 0.000 -0.000 -2.761) 2.761 ======================= Grid point 2438 (563/580) ======================= q-point: ( 0.44 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 11.300 6.524 4.578) 13.828 1.664 ( 26.103 15.071 8.362) 31.280 2.597 ( -1.097 -0.633 13.194) 13.255 3.960 ( 1.532 0.884 -0.651) 1.885 4.094 ( 11.819 6.824 -1.176) 13.698 7.617 ( -16.470 -9.509 -1.810) 19.104 8.354 ( 5.234 3.022 -0.158) 6.046 9.088 ( 45.188 26.089 -6.366) 52.566 11.560 ( -20.452 -11.808 -0.719) 23.627 11.782 ( -2.518 -1.454 -0.023) 2.908 15.330 ( -0.604 -0.349 6.496) 6.533 15.553 ( 5.019 2.898 -6.958) 9.055 ======================= Grid point 2439 (564/580) ======================= q-point: ( 0.50 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 16.121 9.308 0.694) 18.628 2.323 ( 20.742 11.975 13.297) 27.394 2.687 ( 13.659 7.886 0.060) 15.773 4.017 ( 3.520 2.032 0.302) 4.076 4.449 ( 19.162 11.063 -0.281) 22.128 7.344 ( -8.469 -4.890 -1.098) 9.841 8.522 ( 9.681 5.589 -0.528) 11.191 10.070 ( 40.409 23.330 -3.597) 46.799 11.026 ( -23.285 -13.444 -3.954) 27.177 11.706 ( -4.078 -2.355 0.260) 4.716 15.316 ( -2.094 -1.209 9.003) 9.322 15.603 ( 0.187 0.108 -10.744) 10.746 ======================= Grid point 2440 (565/580) ======================= q-point: ( 0.56 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 17.603 10.163 -1.755) 20.402 2.519 ( 1.965 1.135 8.328) 8.631 3.331 ( 34.619 19.987 -2.707) 40.066 4.116 ( 4.943 2.854 1.098) 5.813 4.925 ( 22.422 12.945 0.533) 25.896 7.193 ( -5.106 -2.948 -0.397) 5.910 8.782 ( 13.429 7.753 -0.713) 15.523 10.456 ( -16.480 -9.515 8.540) 20.857 10.895 ( 23.805 13.744 -15.030) 31.329 11.608 ( -4.517 -2.608 0.433) 5.234 15.326 ( -1.396 -0.806 14.047) 14.139 15.459 ( -7.660 -4.422 -14.768) 17.214 ======================= Grid point 2441 (566/580) ======================= q-point: ( 0.61 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 3.239 1.870 1.976) 4.229 2.593 ( 17.011 9.821 -2.746) 19.834 4.068 ( 30.704 17.727 -3.154) 35.594 4.241 ( 5.575 3.219 1.568) 6.626 5.439 ( 22.514 12.998 1.503) 26.040 7.103 ( -3.004 -1.735 0.785) 3.557 9.111 ( 15.697 9.063 -0.702) 18.139 10.140 ( -10.848 -6.263 1.810) 12.656 11.251 ( 9.631 5.560 -7.811) 13.589 11.515 ( -3.639 -2.101 0.426) 4.223 15.037 ( -20.553 -11.866 -5.283) 24.313 15.497 ( 7.621 4.400 6.466) 10.920 ======================= Grid point 2457 (567/580) ======================= q-point: ( 0.44 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -0.000 10.060 7.350) 12.459 1.745 ( 0.000 32.616 3.511) 32.804 2.631 ( -0.000 -3.097 10.906) 11.337 3.979 ( 0.000 2.874 -1.720) 3.350 4.071 ( 0.000 12.983 0.214) 12.985 7.614 ( -0.000 -18.657 -1.855) 18.749 8.338 ( 0.000 5.263 0.793) 5.322 9.077 ( 0.000 51.641 -5.389) 51.921 11.555 ( -0.000 -23.223 -0.546) 23.230 11.791 ( -0.000 -2.428 -0.565) 2.493 15.347 ( -0.000 -0.869 6.598) 6.655 15.532 ( 0.000 5.263 -6.721) 8.536 ======================= Grid point 2458 (568/580) ======================= q-point: ( 0.50 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 11.258 13.559 3.567) 17.981 2.240 ( 15.339 33.728 5.527) 37.462 2.628 ( 1.094 -1.463 3.854) 4.265 4.016 ( 1.260 4.505 -0.649) 4.723 4.322 ( 10.811 16.870 0.264) 20.039 7.398 ( -5.871 -9.762 -1.088) 11.443 8.458 ( 5.692 8.210 0.278) 9.994 9.796 ( 25.133 43.057 -3.421) 49.973 11.169 ( -14.656 -24.234 -2.223) 28.408 11.739 ( -2.356 -3.078 -0.228) 3.883 15.346 ( -0.651 -3.073 8.172) 8.755 15.571 ( 0.871 3.010 -9.113) 9.637 ======================= Grid point 2459 (569/580) ======================= q-point: ( 0.56 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 13.391 15.807 -0.415) 20.721 2.559 ( -0.781 2.497 8.012) 8.428 3.010 ( 27.382 27.035 -3.191) 38.612 4.106 ( 3.028 6.577 0.525) 7.260 4.734 ( 17.001 17.813 0.186) 24.625 7.237 ( -4.545 -5.110 -0.460) 6.854 8.684 ( 9.456 11.662 -0.343) 15.018 10.536 ( 12.541 9.204 12.995) 20.270 10.708 ( -4.381 -1.687 -17.036) 17.671 11.659 ( -3.609 -2.591 0.174) 4.446 15.348 ( 0.916 -2.142 10.686) 10.937 15.496 ( -5.971 -3.958 -11.464) 13.518 ======================= Grid point 2460 (570/580) ======================= q-point: ( 0.61 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 12.537 13.172 -1.920) 18.286 2.609 ( 1.695 6.285 1.529) 6.687 3.724 ( 28.214 20.426 -1.546) 34.866 4.249 ( 4.045 10.471 1.033) 11.273 5.220 ( 19.976 16.620 0.446) 25.990 7.135 ( -3.009 -2.959 0.502) 4.250 8.995 ( 11.977 14.779 -0.667) 19.034 10.241 ( -11.683 -13.129 0.497) 17.582 11.099 ( 13.679 10.576 -3.725) 17.687 11.576 ( -4.079 -0.769 0.455) 4.175 15.196 ( -14.960 -12.380 -6.820) 20.581 15.442 ( 5.623 2.498 7.354) 9.588 ======================= Grid point 2477 (571/580) ======================= q-point: ( 0.50 0.50 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -0.000 17.411 5.460) 18.247 2.500 ( 0.000 41.107 0.723) 41.113 2.608 ( -0.000 -3.384 3.249) 4.691 4.041 ( 0.000 4.633 -1.874) 4.998 4.432 ( 0.000 22.385 1.432) 22.430 7.343 ( -0.000 -9.495 -1.029) 9.551 8.503 ( 0.000 10.890 1.197) 10.956 10.037 ( 0.000 45.751 -0.153) 45.752 11.026 ( -0.000 -26.581 -4.067) 26.890 11.717 ( -0.000 -4.497 -0.769) 4.562 15.343 ( -0.000 -4.119 8.735) 9.657 15.564 ( 0.000 1.924 -9.235) 9.433 ======================= Grid point 2478 (572/580) ======================= q-point: ( 0.56 0.50 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 8.799 18.718 2.974) 20.896 2.594 ( 0.503 -1.294 1.885) 2.341 2.993 ( 10.944 38.555 -0.464) 40.081 4.115 ( 3.413 6.270 -1.132) 7.228 4.730 ( 7.403 23.656 0.863) 24.802 7.238 ( -2.363 -6.272 -0.669) 6.736 8.679 ( 5.919 13.807 0.770) 15.042 10.521 ( 7.138 13.955 14.562) 21.395 10.712 ( -4.704 -3.501 -16.374) 17.392 11.662 ( -0.788 -4.262 -0.535) 4.367 15.338 ( 0.726 -4.501 11.311) 12.195 15.504 ( -3.446 -2.701 -11.759) 12.547 ======================= Grid point 2479 (573/580) ======================= q-point: ( 0.61 0.50 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 9.132 15.817 -0.000) 18.264 2.637 ( 3.314 5.739 -0.000) 6.627 3.570 ( 16.781 29.065 -0.000) 33.561 4.275 ( 6.163 10.674 -0.000) 12.325 5.126 ( 12.544 21.727 -0.000) 25.089 7.147 ( -2.256 -3.908 -0.000) 4.512 8.969 ( 10.013 17.343 -0.000) 20.026 10.277 ( -9.888 -17.127 -0.000) 19.777 11.021 ( 9.465 16.395 -0.000) 18.931 11.612 ( -1.209 -2.093 -0.000) 2.417 15.254 ( -8.670 -15.018 -0.000) 17.341 15.415 ( 2.023 3.503 0.000) 4.045 ======================= Grid point 2497 (574/580) ======================= q-point: ( 0.56 0.56 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.000 20.088 3.957) 20.474 2.572 ( 0.000 -0.189 -1.684) 1.695 3.309 ( 0.000 40.362 1.261) 40.382 4.131 ( 0.000 5.867 -1.835) 6.147 4.924 ( 0.000 26.401 0.673) 26.409 7.195 ( -0.000 -5.575 -0.743) 5.624 8.772 ( 0.000 15.521 1.216) 15.568 10.476 ( -0.000 -21.110 6.465) 22.078 10.838 ( 0.000 28.847 -5.706) 29.406 11.614 ( -0.000 -5.211 -0.778) 5.269 15.311 ( -0.000 -9.263 14.153) 16.915 15.472 ( 0.000 -0.557 -14.548) 14.559 ======================= Grid point 2793 (575/580) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -0.000 0.000 4.503) 4.503 1.387 ( -0.000 0.000 4.503) 4.503 2.704 ( -0.000 0.000 9.624) 9.624 3.942 ( 0.000 -0.000 -0.832) 0.832 3.942 ( 0.000 -0.000 -0.832) 0.832 8.020 ( 0.000 -0.000 -4.551) 4.551 8.291 ( -0.000 0.000 0.174) 0.174 8.291 ( -0.000 0.000 0.174) 0.174 11.812 ( 0.000 -0.000 -0.184) 0.184 11.812 ( 0.000 -0.000 -0.184) 0.184 15.341 ( -0.000 0.000 2.881) 2.881 15.479 ( 0.000 -0.000 -2.244) 2.244 ======================= Grid point 2794 (576/580) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 10.065 5.811 0.508) 11.633 1.731 ( 26.694 15.412 4.781) 31.192 2.691 ( -2.930 -1.692 5.236) 6.235 3.958 ( 1.860 1.074 0.228) 2.159 4.084 ( 12.007 6.932 -0.911) 13.894 7.602 ( -15.964 -9.217 -0.872) 18.454 8.351 ( 5.046 2.913 -0.434) 5.843 9.045 ( 44.231 25.537 -2.214) 51.122 11.554 ( -20.737 -11.973 -0.376) 23.948 11.782 ( -2.396 -1.383 0.208) 2.774 15.397 ( 0.923 0.533 6.611) 6.696 15.483 ( 2.732 1.577 -6.814) 7.508 ======================= Grid point 2795 (577/580) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 15.366 8.871 -2.533) 17.923 2.441 ( 27.143 15.671 9.666) 32.799 2.662 ( 5.590 3.227 -4.789) 8.037 4.025 ( 3.786 2.186 1.193) 4.531 4.444 ( 19.452 11.231 -0.824) 22.476 7.338 ( -8.342 -4.816 -0.088) 9.633 8.514 ( 9.584 5.534 -0.921) 11.105 10.044 ( 42.052 24.279 -1.572) 48.583 11.006 ( -25.322 -14.620 -0.058) 29.240 11.710 ( -3.999 -2.309 0.549) 4.651 15.389 ( -1.467 -0.847 2.787) 3.261 15.518 ( -0.550 -0.317 -3.377) 3.436 ======================= Grid point 2813 (578/580) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -0.000 10.590 3.563) 11.173 1.759 ( 0.000 31.735 -0.732) 31.743 2.702 ( -0.000 -4.070 2.993) 5.052 3.965 ( 0.000 2.539 -1.069) 2.755 4.076 ( 0.000 13.651 0.634) 13.665 7.601 ( -0.000 -18.290 -0.653) 18.302 8.345 ( 0.000 5.555 0.656) 5.594 9.042 ( 0.000 50.913 -1.568) 50.937 11.552 ( -0.000 -23.838 -0.042) 23.838 11.786 ( -0.000 -2.599 -0.412) 2.632 15.414 ( -0.000 1.106 6.722) 6.812 15.465 ( 0.000 2.884 -6.659) 7.257 ======================= Grid point 2814 (579/580) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 8.534 14.782 -0.000) 17.068 2.268 ( 19.584 33.921 -0.000) 39.168 2.648 ( -1.966 -3.406 -0.000) 3.933 4.012 ( 2.278 3.946 -0.000) 4.556 4.324 ( 10.127 17.540 -0.000) 20.254 7.392 ( -5.674 -9.828 -0.000) 11.348 8.460 ( 4.994 8.649 -0.000) 9.987 9.779 ( 25.420 44.029 -0.000) 50.840 11.158 ( -14.797 -25.629 -0.000) 29.594 11.738 ( -1.931 -3.345 -0.000) 3.862 15.403 ( -1.224 -2.120 -0.000) 2.448 15.509 ( 1.148 1.988 0.000) 2.295 ======================= Grid point 3155 (580/580) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.27e-07 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -0.000 0.000 0.000) 0.000 1.410 ( -0.000 0.000 0.000) 0.000 2.753 ( -0.000 0.000 0.000) 0.000 3.938 ( -0.000 0.000 0.000) 0.000 3.938 ( -0.000 0.000 0.000) 0.000 7.997 ( -0.000 0.000 0.000) 0.000 8.292 ( -0.000 0.000 0.000) 0.000 8.292 ( -0.000 0.000 0.000) 0.000 11.811 ( -0.000 0.000 0.000) 0.000 11.811 ( -0.000 0.000 0.000) 0.000 15.357 ( -0.000 0.000 0.000) 0.000 15.466 ( 0.000 -0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/69984 10.0 5932.057 5932.057 9982.063 0.000 -0.000 0.000 3/69984 20.0 2057.249 2057.249 2056.382 0.000 -0.000 0.000 3/69984 30.0 787.459 787.459 564.462 0.000 -0.000 0.000 3/69984 40.0 387.452 387.452 217.134 0.000 -0.000 0.000 3/69984 50.0 237.163 237.163 108.960 0.000 -0.000 0.000 3/69984 60.0 165.040 165.040 65.709 0.000 -0.000 0.000 3/69984 70.0 123.525 123.525 44.767 0.000 -0.000 0.000 3/69984 80.0 96.815 96.815 33.111 0.000 -0.000 0.000 3/69984 90.0 78.444 78.444 25.935 0.000 -0.000 0.000 3/69984 100.0 65.243 65.243 21.176 0.000 -0.000 0.000 3/69984 110.0 55.443 55.443 17.839 0.000 -0.000 0.000 3/69984 120.0 47.972 47.972 15.393 0.000 -0.000 0.000 3/69984 130.0 42.145 42.145 13.536 0.000 -0.000 0.000 3/69984 140.0 37.508 37.508 12.085 0.000 -0.000 0.000 3/69984 150.0 33.752 33.752 10.923 0.000 -0.000 0.000 3/69984 160.0 30.660 30.660 9.972 0.000 -0.000 0.000 3/69984 170.0 28.079 28.079 9.182 0.000 -0.000 0.000 3/69984 180.0 25.897 25.897 8.514 0.000 -0.000 0.000 3/69984 190.0 24.031 24.031 7.942 0.000 -0.000 0.000 3/69984 200.0 22.418 22.418 7.447 0.000 -0.000 0.000 3/69984 210.0 21.012 21.012 7.013 0.000 -0.000 0.000 3/69984 220.0 19.775 19.775 6.631 0.000 -0.000 0.000 3/69984 230.0 18.679 18.679 6.290 0.000 -0.000 0.000 3/69984 240.0 17.702 17.702 5.985 0.000 -0.000 0.000 3/69984 250.0 16.826 16.826 5.710 0.000 -0.000 0.000 3/69984 260.0 16.034 16.034 5.460 0.000 -0.000 0.000 3/69984 270.0 15.317 15.317 5.232 0.000 -0.000 0.000 3/69984 280.0 14.663 14.663 5.024 0.000 -0.000 0.000 3/69984 290.0 14.065 14.065 4.832 0.000 -0.000 0.000 3/69984 300.0 13.515 13.515 4.655 0.000 -0.000 0.000 3/69984 310.0 13.008 13.008 4.492 0.000 -0.000 0.000 3/69984 320.0 12.539 12.539 4.339 0.000 -0.000 0.000 3/69984 330.0 12.104 12.104 4.198 0.000 -0.000 0.000 3/69984 340.0 11.700 11.700 4.065 0.000 -0.000 0.000 3/69984 350.0 11.322 11.322 3.941 0.000 -0.000 0.000 3/69984 360.0 10.969 10.969 3.825 0.000 -0.000 0.000 3/69984 370.0 10.638 10.638 3.715 0.000 -0.000 0.000 3/69984 380.0 10.327 10.327 3.612 0.000 -0.000 0.000 3/69984 390.0 10.034 10.034 3.514 0.000 -0.000 0.000 3/69984 400.0 9.758 9.758 3.422 0.000 -0.000 0.000 3/69984 410.0 9.497 9.497 3.335 0.000 -0.000 0.000 3/69984 420.0 9.250 9.250 3.252 0.000 -0.000 0.000 3/69984 430.0 9.016 9.016 3.173 0.000 -0.000 0.000 3/69984 440.0 8.794 8.794 3.098 0.000 -0.000 0.000 3/69984 450.0 8.583 8.583 3.026 0.000 -0.000 0.000 3/69984 460.0 8.382 8.382 2.958 0.000 -0.000 0.000 3/69984 470.0 8.191 8.191 2.893 0.000 -0.000 0.000 3/69984 480.0 8.008 8.008 2.831 0.000 -0.000 0.000 3/69984 490.0 7.834 7.834 2.771 0.000 -0.000 0.000 3/69984 500.0 7.667 7.667 2.714 0.000 -0.000 0.000 3/69984 510.0 7.507 7.507 2.659 0.000 -0.000 0.000 3/69984 520.0 7.354 7.354 2.607 0.000 -0.000 0.000 3/69984 530.0 7.207 7.207 2.556 0.000 -0.000 0.000 3/69984 540.0 7.066 7.066 2.508 0.000 -0.000 0.000 3/69984 550.0 6.931 6.931 2.461 0.000 -0.000 0.000 3/69984 560.0 6.800 6.800 2.416 0.000 -0.000 0.000 3/69984 570.0 6.675 6.675 2.373 0.000 -0.000 0.000 3/69984 580.0 6.554 6.554 2.331 0.000 -0.000 0.000 3/69984 590.0 6.438 6.438 2.291 0.000 -0.000 0.000 3/69984 600.0 6.326 6.326 2.252 0.000 -0.000 0.000 3/69984 610.0 6.218 6.218 2.214 0.000 -0.000 0.000 3/69984 620.0 6.113 6.113 2.178 0.000 -0.000 0.000 3/69984 630.0 6.012 6.012 2.143 0.000 -0.000 0.000 3/69984 640.0 5.914 5.914 2.109 0.000 -0.000 0.000 3/69984 650.0 5.820 5.820 2.076 0.000 -0.000 0.000 3/69984 660.0 5.728 5.728 2.044 0.000 -0.000 0.000 3/69984 670.0 5.640 5.640 2.013 0.000 -0.000 0.000 3/69984 680.0 5.554 5.554 1.983 0.000 -0.000 0.000 3/69984 690.0 5.470 5.470 1.953 0.000 -0.000 0.000 3/69984 700.0 5.390 5.390 1.925 0.000 -0.000 0.000 3/69984 710.0 5.311 5.311 1.898 0.000 -0.000 0.000 3/69984 720.0 5.235 5.235 1.871 0.000 -0.000 0.000 3/69984 730.0 5.161 5.161 1.845 0.000 -0.000 0.000 3/69984 740.0 5.089 5.089 1.820 0.000 -0.000 0.000 3/69984 750.0 5.019 5.019 1.795 0.000 -0.000 0.000 3/69984 760.0 4.952 4.952 1.771 0.000 -0.000 0.000 3/69984 770.0 4.885 4.885 1.748 0.000 -0.000 0.000 3/69984 780.0 4.821 4.821 1.725 0.000 -0.000 0.000 3/69984 790.0 4.758 4.758 1.703 0.000 -0.000 0.000 3/69984 800.0 4.697 4.697 1.682 0.000 -0.000 0.000 3/69984 810.0 4.638 4.638 1.661 0.000 -0.000 0.000 3/69984 820.0 4.580 4.580 1.640 0.000 -0.000 0.000 3/69984 830.0 4.524 4.524 1.620 0.000 -0.000 0.000 3/69984 840.0 4.468 4.468 1.601 0.000 -0.000 0.000 3/69984 850.0 4.415 4.415 1.582 0.000 -0.000 0.000 3/69984 860.0 4.362 4.362 1.563 0.000 -0.000 0.000 3/69984 870.0 4.311 4.311 1.545 0.000 -0.000 0.000 3/69984 880.0 4.261 4.261 1.528 0.000 -0.000 0.000 3/69984 890.0 4.212 4.212 1.510 0.000 -0.000 0.000 3/69984 900.0 4.164 4.164 1.493 0.000 -0.000 0.000 3/69984 910.0 4.118 4.118 1.477 0.000 -0.000 0.000 3/69984 920.0 4.072 4.072 1.461 0.000 -0.000 0.000 3/69984 930.0 4.027 4.027 1.445 0.000 -0.000 0.000 3/69984 940.0 3.984 3.984 1.429 0.000 -0.000 0.000 3/69984 950.0 3.941 3.941 1.414 0.000 -0.000 0.000 3/69984 960.0 3.899 3.899 1.399 0.000 -0.000 0.000 3/69984 970.0 3.858 3.858 1.385 0.000 -0.000 0.000 3/69984 980.0 3.818 3.818 1.371 0.000 -0.000 0.000 3/69984 990.0 3.779 3.779 1.357 0.000 -0.000 0.000 3/69984 1000.0 3.741 3.741 1.343 0.000 -0.000 0.000 3/69984 Thermal conductivity related properties were written into "kappa-m181818.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:42:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|