----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:47:34]------------------------- Compiled with OpenMP support (max 32 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 1.767070910715129 1.020218865978535 4.848838566666661 b -1.767070910715125 1.020218865978535 4.848838566666661 c 0.000000000000002 -2.040437731957073 4.848838566666661 Atomic positions (fractional): *1 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 *2 N 0.58491117767924 0.58491117767924 0.58491117767924 14.007 3 N 0.41508882232076 0.41508882232076 0.41508882232076 14.007 *4 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.534141821430254 0.000000000000000 0.000000000000000 b -1.767070910715127 3.060656597935607 0.000000000000000 c 0.000000000000000 0.000000000000000 14.546515699999999 Atomic positions (fractional): *1 C 0.33333333333333 0.66666666666667 0.16666666666667 12.011 > 1 2 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 3 C 0.66666666666667 0.33333333333333 0.83333333333333 12.011 > 1 *4 N 0.33333333333333 0.66666666666667 0.25157784434590 14.007 > 2 5 N 0.33333333333333 0.66666666666667 0.08175548898743 14.007 > 3 6 N 0.00000000000000 0.00000000000000 0.58491117767924 14.007 > 2 7 N 0.00000000000000 0.00000000000000 0.41508882232076 14.007 > 3 8 N 0.66666666666667 0.33333333333333 0.91824451101257 14.007 > 2 9 N 0.66666666666667 0.33333333333333 0.74842215565410 14.007 > 3 *10 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 4 11 Cd 0.66666666666667 0.33333333333333 0.33333333333333 112.411 > 4 12 Cd 0.33333333333333 0.66666666666667 0.66666666666667 112.411 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.602425464290762 0.000000000000000 0.000000000000000 b -5.301212732145381 9.181969793806822 0.000000000000000 c 0.000000000000000 0.000000000000000 14.546515699999999 Atomic positions (fractional): *1 C 0.11111111111111 0.22222222222222 0.16666666666667 12.011 > 1 2 C 0.44444444444444 0.22222222222222 0.16666666666667 12.011 > 1 3 C 0.77777777777778 0.22222222222222 0.16666666666667 12.011 > 1 4 C 0.11111111111111 0.55555555555556 0.16666666666667 12.011 > 1 5 C 0.44444444444444 0.55555555555556 0.16666666666667 12.011 > 1 6 C 0.77777777777778 0.55555555555556 0.16666666666667 12.011 > 1 7 C 0.11111111111111 0.88888888888889 0.16666666666667 12.011 > 1 8 C 0.44444444444444 0.88888888888889 0.16666666666667 12.011 > 1 9 C 0.77777777777778 0.88888888888889 0.16666666666667 12.011 > 1 10 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 11 C 0.33333333333333 0.00000000000000 0.50000000000000 12.011 > 1 12 C 0.66666666666667 0.00000000000000 0.50000000000000 12.011 > 1 13 C 0.00000000000000 0.33333333333333 0.50000000000000 12.011 > 1 14 C 0.33333333333333 0.33333333333333 0.50000000000000 12.011 > 1 15 C 0.66666666666667 0.33333333333333 0.50000000000000 12.011 > 1 16 C 0.00000000000000 0.66666666666667 0.50000000000000 12.011 > 1 17 C 0.33333333333333 0.66666666666667 0.50000000000000 12.011 > 1 18 C 0.66666666666667 0.66666666666667 0.50000000000000 12.011 > 1 19 C 0.22222222222222 0.11111111111111 0.83333333333333 12.011 > 1 20 C 0.55555555555556 0.11111111111111 0.83333333333333 12.011 > 1 21 C 0.88888888888889 0.11111111111111 0.83333333333333 12.011 > 1 22 C 0.22222222222222 0.44444444444444 0.83333333333333 12.011 > 1 23 C 0.55555555555556 0.44444444444444 0.83333333333333 12.011 > 1 24 C 0.88888888888889 0.44444444444444 0.83333333333333 12.011 > 1 25 C 0.22222222222222 0.77777777777778 0.83333333333333 12.011 > 1 26 C 0.55555555555556 0.77777777777778 0.83333333333333 12.011 > 1 27 C 0.88888888888889 0.77777777777778 0.83333333333333 12.011 > 1 *28 N 0.11111111111111 0.22222222222222 0.25157784434590 14.007 > 2 29 N 0.44444444444444 0.22222222222222 0.25157784434590 14.007 > 2 30 N 0.77777777777778 0.22222222222222 0.25157784434590 14.007 > 2 31 N 0.11111111111111 0.55555555555556 0.25157784434590 14.007 > 2 32 N 0.44444444444444 0.55555555555556 0.25157784434590 14.007 > 2 33 N 0.77777777777778 0.55555555555556 0.25157784434590 14.007 > 2 34 N 0.11111111111111 0.88888888888889 0.25157784434590 14.007 > 2 35 N 0.44444444444444 0.88888888888889 0.25157784434590 14.007 > 2 36 N 0.77777777777778 0.88888888888889 0.25157784434590 14.007 > 2 37 N 0.11111111111111 0.22222222222222 0.08175548898743 14.007 > 3 38 N 0.44444444444444 0.22222222222222 0.08175548898743 14.007 > 3 39 N 0.77777777777778 0.22222222222222 0.08175548898743 14.007 > 3 40 N 0.11111111111111 0.55555555555556 0.08175548898743 14.007 > 3 41 N 0.44444444444444 0.55555555555556 0.08175548898743 14.007 > 3 42 N 0.77777777777778 0.55555555555556 0.08175548898743 14.007 > 3 43 N 0.11111111111111 0.88888888888889 0.08175548898743 14.007 > 3 44 N 0.44444444444444 0.88888888888889 0.08175548898743 14.007 > 3 45 N 0.77777777777778 0.88888888888889 0.08175548898743 14.007 > 3 46 N 0.00000000000000 0.00000000000000 0.58491117767924 14.007 > 2 47 N 0.33333333333333 0.00000000000000 0.58491117767924 14.007 > 2 48 N 0.66666666666667 0.00000000000000 0.58491117767924 14.007 > 2 49 N 0.00000000000000 0.33333333333333 0.58491117767924 14.007 > 2 50 N 0.33333333333333 0.33333333333333 0.58491117767924 14.007 > 2 51 N 0.66666666666667 0.33333333333333 0.58491117767924 14.007 > 2 52 N 0.00000000000000 0.66666666666667 0.58491117767924 14.007 > 2 53 N 0.33333333333333 0.66666666666667 0.58491117767924 14.007 > 2 54 N 0.66666666666667 0.66666666666667 0.58491117767924 14.007 > 2 55 N 0.00000000000000 0.00000000000000 0.41508882232076 14.007 > 3 56 N 0.33333333333333 0.00000000000000 0.41508882232076 14.007 > 3 57 N 0.66666666666667 0.00000000000000 0.41508882232076 14.007 > 3 58 N 0.00000000000000 0.33333333333333 0.41508882232076 14.007 > 3 59 N 0.33333333333333 0.33333333333333 0.41508882232076 14.007 > 3 60 N 0.66666666666667 0.33333333333333 0.41508882232076 14.007 > 3 61 N 0.00000000000000 0.66666666666667 0.41508882232076 14.007 > 3 62 N 0.33333333333333 0.66666666666667 0.41508882232076 14.007 > 3 63 N 0.66666666666667 0.66666666666667 0.41508882232076 14.007 > 3 64 N 0.22222222222222 0.11111111111111 0.91824451101257 14.007 > 2 65 N 0.55555555555556 0.11111111111111 0.91824451101257 14.007 > 2 66 N 0.88888888888889 0.11111111111111 0.91824451101257 14.007 > 2 67 N 0.22222222222222 0.44444444444444 0.91824451101257 14.007 > 2 68 N 0.55555555555556 0.44444444444444 0.91824451101257 14.007 > 2 69 N 0.88888888888889 0.44444444444444 0.91824451101257 14.007 > 2 70 N 0.22222222222222 0.77777777777778 0.91824451101257 14.007 > 2 71 N 0.55555555555556 0.77777777777778 0.91824451101257 14.007 > 2 72 N 0.88888888888889 0.77777777777778 0.91824451101257 14.007 > 2 73 N 0.22222222222222 0.11111111111111 0.74842215565410 14.007 > 3 74 N 0.55555555555556 0.11111111111111 0.74842215565410 14.007 > 3 75 N 0.88888888888889 0.11111111111111 0.74842215565410 14.007 > 3 76 N 0.22222222222222 0.44444444444444 0.74842215565410 14.007 > 3 77 N 0.55555555555556 0.44444444444444 0.74842215565410 14.007 > 3 78 N 0.88888888888889 0.44444444444444 0.74842215565410 14.007 > 3 79 N 0.22222222222222 0.77777777777778 0.74842215565410 14.007 > 3 80 N 0.55555555555556 0.77777777777778 0.74842215565410 14.007 > 3 81 N 0.88888888888889 0.77777777777778 0.74842215565410 14.007 > 3 *82 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 4 83 Cd 0.33333333333333 0.00000000000000 0.00000000000000 112.411 > 4 84 Cd 0.66666666666667 0.00000000000000 0.00000000000000 112.411 > 4 85 Cd 0.00000000000000 0.33333333333333 0.00000000000000 112.411 > 4 86 Cd 0.33333333333333 0.33333333333333 0.00000000000000 112.411 > 4 87 Cd 0.66666666666667 0.33333333333333 0.00000000000000 112.411 > 4 88 Cd 0.00000000000000 0.66666666666667 0.00000000000000 112.411 > 4 89 Cd 0.33333333333333 0.66666666666667 0.00000000000000 112.411 > 4 90 Cd 0.66666666666667 0.66666666666667 0.00000000000000 112.411 > 4 91 Cd 0.22222222222222 0.11111111111111 0.33333333333333 112.411 > 4 92 Cd 0.55555555555556 0.11111111111111 0.33333333333333 112.411 > 4 93 Cd 0.88888888888889 0.11111111111111 0.33333333333333 112.411 > 4 94 Cd 0.22222222222222 0.44444444444444 0.33333333333333 112.411 > 4 95 Cd 0.55555555555556 0.44444444444444 0.33333333333333 112.411 > 4 96 Cd 0.88888888888889 0.44444444444444 0.33333333333333 112.411 > 4 97 Cd 0.22222222222222 0.77777777777778 0.33333333333333 112.411 > 4 98 Cd 0.55555555555556 0.77777777777778 0.33333333333333 112.411 > 4 99 Cd 0.88888888888889 0.77777777777778 0.33333333333333 112.411 > 4 100 Cd 0.11111111111111 0.22222222222222 0.66666666666667 112.411 > 4 101 Cd 0.44444444444444 0.22222222222222 0.66666666666667 112.411 > 4 102 Cd 0.77777777777778 0.22222222222222 0.66666666666667 112.411 > 4 103 Cd 0.11111111111111 0.55555555555556 0.66666666666667 112.411 > 4 104 Cd 0.44444444444444 0.55555555555556 0.66666666666667 112.411 > 4 105 Cd 0.77777777777778 0.55555555555556 0.66666666666667 112.411 > 4 106 Cd 0.11111111111111 0.88888888888889 0.66666666666667 112.411 > 4 107 Cd 0.44444444444444 0.88888888888889 0.66666666666667 112.411 > 4 108 Cd 0.77777777777778 0.88888888888889 0.66666666666667 112.411 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4688175 -0.0000000 0.0000000 0.0000000 3.4688175 0.0000000 0.0000000 0.0000000 6.7499183 -------------------------- Born effective charges -------------------------- 1 C -0.2913952 -0.0000000 0.0000000 0.0000000 -0.2913952 0.0000000 0.0000000 0.0000000 5.5390741 2 N -1.0868744 -0.0000000 0.0000000 -0.0000000 -1.0868744 0.0000000 0.0000000 0.0000000 -4.3993671 3 N -1.0868744 -0.0000000 0.0000000 -0.0000000 -1.0868744 0.0000000 0.0000000 0.0000000 -4.3993671 4 Cd 2.4651440 0.0000000 0.0000000 0.0000000 2.4651440 0.0000000 0.0000000 0.0000000 3.2596601 ---------------------------------------------------------------------------- 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: 196 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): 0.007 Solver_block: 80 / 80 - Time: 0.094 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.102 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 196 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:47:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:47:39]------------------------- Compiled with OpenMP support (max 32 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 1.767070910715129 1.020218865978535 4.848838566666661 b -1.767070910715125 1.020218865978535 4.848838566666661 c 0.000000000000002 -2.040437731957073 4.848838566666661 Atomic positions (fractional): 1 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 2 N 0.58491117767924 0.58491117767924 0.58491117767924 14.007 3 N 0.41508882232076 0.41508882232076 0.41508882232076 14.007 4 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.602425464290762 0.000000000000000 0.000000000000000 b -5.301212732145381 9.181969793806822 0.000000000000000 c 0.000000000000000 0.000000000000000 14.546515699999999 Atomic positions (fractional): 1 C 0.11111111111111 0.22222222222222 0.16666666666667 12.011 > 1 2 C 0.44444444444444 0.22222222222222 0.16666666666667 12.011 > 1 3 C 0.77777777777778 0.22222222222222 0.16666666666667 12.011 > 1 4 C 0.11111111111111 0.55555555555556 0.16666666666667 12.011 > 1 5 C 0.44444444444444 0.55555555555556 0.16666666666667 12.011 > 1 6 C 0.77777777777778 0.55555555555556 0.16666666666667 12.011 > 1 7 C 0.11111111111111 0.88888888888889 0.16666666666667 12.011 > 1 8 C 0.44444444444444 0.88888888888889 0.16666666666667 12.011 > 1 9 C 0.77777777777778 0.88888888888889 0.16666666666667 12.011 > 1 10 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 11 C 0.33333333333333 0.00000000000000 0.50000000000000 12.011 > 1 12 C 0.66666666666667 0.00000000000000 0.50000000000000 12.011 > 1 13 C 0.00000000000000 0.33333333333333 0.50000000000000 12.011 > 1 14 C 0.33333333333333 0.33333333333333 0.50000000000000 12.011 > 1 15 C 0.66666666666667 0.33333333333333 0.50000000000000 12.011 > 1 16 C 0.00000000000000 0.66666666666667 0.50000000000000 12.011 > 1 17 C 0.33333333333333 0.66666666666667 0.50000000000000 12.011 > 1 18 C 0.66666666666667 0.66666666666667 0.50000000000000 12.011 > 1 19 C 0.22222222222222 0.11111111111111 0.83333333333333 12.011 > 1 20 C 0.55555555555556 0.11111111111111 0.83333333333333 12.011 > 1 21 C 0.88888888888889 0.11111111111111 0.83333333333333 12.011 > 1 22 C 0.22222222222222 0.44444444444444 0.83333333333333 12.011 > 1 23 C 0.55555555555556 0.44444444444444 0.83333333333333 12.011 > 1 24 C 0.88888888888889 0.44444444444444 0.83333333333333 12.011 > 1 25 C 0.22222222222222 0.77777777777778 0.83333333333333 12.011 > 1 26 C 0.55555555555556 0.77777777777778 0.83333333333333 12.011 > 1 27 C 0.88888888888889 0.77777777777778 0.83333333333333 12.011 > 1 28 N 0.11111111111111 0.22222222222222 0.25157784434590 14.007 > 28 29 N 0.44444444444444 0.22222222222222 0.25157784434590 14.007 > 28 30 N 0.77777777777778 0.22222222222222 0.25157784434590 14.007 > 28 31 N 0.11111111111111 0.55555555555556 0.25157784434590 14.007 > 28 32 N 0.44444444444444 0.55555555555556 0.25157784434590 14.007 > 28 33 N 0.77777777777778 0.55555555555556 0.25157784434590 14.007 > 28 34 N 0.11111111111111 0.88888888888889 0.25157784434590 14.007 > 28 35 N 0.44444444444444 0.88888888888889 0.25157784434590 14.007 > 28 36 N 0.77777777777778 0.88888888888889 0.25157784434590 14.007 > 28 37 N 0.11111111111111 0.22222222222222 0.08175548898743 14.007 > 37 38 N 0.44444444444444 0.22222222222222 0.08175548898743 14.007 > 37 39 N 0.77777777777778 0.22222222222222 0.08175548898743 14.007 > 37 40 N 0.11111111111111 0.55555555555556 0.08175548898743 14.007 > 37 41 N 0.44444444444444 0.55555555555556 0.08175548898743 14.007 > 37 42 N 0.77777777777778 0.55555555555556 0.08175548898743 14.007 > 37 43 N 0.11111111111111 0.88888888888889 0.08175548898743 14.007 > 37 44 N 0.44444444444444 0.88888888888889 0.08175548898743 14.007 > 37 45 N 0.77777777777778 0.88888888888889 0.08175548898743 14.007 > 37 46 N 0.00000000000000 0.00000000000000 0.58491117767924 14.007 > 28 47 N 0.33333333333333 0.00000000000000 0.58491117767924 14.007 > 28 48 N 0.66666666666667 0.00000000000000 0.58491117767924 14.007 > 28 49 N 0.00000000000000 0.33333333333333 0.58491117767924 14.007 > 28 50 N 0.33333333333333 0.33333333333333 0.58491117767924 14.007 > 28 51 N 0.66666666666667 0.33333333333333 0.58491117767924 14.007 > 28 52 N 0.00000000000000 0.66666666666667 0.58491117767924 14.007 > 28 53 N 0.33333333333333 0.66666666666667 0.58491117767924 14.007 > 28 54 N 0.66666666666667 0.66666666666667 0.58491117767924 14.007 > 28 55 N 0.00000000000000 0.00000000000000 0.41508882232076 14.007 > 37 56 N 0.33333333333333 0.00000000000000 0.41508882232076 14.007 > 37 57 N 0.66666666666667 0.00000000000000 0.41508882232076 14.007 > 37 58 N 0.00000000000000 0.33333333333333 0.41508882232076 14.007 > 37 59 N 0.33333333333333 0.33333333333333 0.41508882232076 14.007 > 37 60 N 0.66666666666667 0.33333333333333 0.41508882232076 14.007 > 37 61 N 0.00000000000000 0.66666666666667 0.41508882232076 14.007 > 37 62 N 0.33333333333333 0.66666666666667 0.41508882232076 14.007 > 37 63 N 0.66666666666667 0.66666666666667 0.41508882232076 14.007 > 37 64 N 0.22222222222222 0.11111111111111 0.91824451101257 14.007 > 28 65 N 0.55555555555556 0.11111111111111 0.91824451101257 14.007 > 28 66 N 0.88888888888889 0.11111111111111 0.91824451101257 14.007 > 28 67 N 0.22222222222222 0.44444444444444 0.91824451101257 14.007 > 28 68 N 0.55555555555556 0.44444444444444 0.91824451101257 14.007 > 28 69 N 0.88888888888889 0.44444444444444 0.91824451101257 14.007 > 28 70 N 0.22222222222222 0.77777777777778 0.91824451101257 14.007 > 28 71 N 0.55555555555556 0.77777777777778 0.91824451101257 14.007 > 28 72 N 0.88888888888889 0.77777777777778 0.91824451101257 14.007 > 28 73 N 0.22222222222222 0.11111111111111 0.74842215565410 14.007 > 37 74 N 0.55555555555556 0.11111111111111 0.74842215565410 14.007 > 37 75 N 0.88888888888889 0.11111111111111 0.74842215565410 14.007 > 37 76 N 0.22222222222222 0.44444444444444 0.74842215565410 14.007 > 37 77 N 0.55555555555556 0.44444444444444 0.74842215565410 14.007 > 37 78 N 0.88888888888889 0.44444444444444 0.74842215565410 14.007 > 37 79 N 0.22222222222222 0.77777777777778 0.74842215565410 14.007 > 37 80 N 0.55555555555556 0.77777777777778 0.74842215565410 14.007 > 37 81 N 0.88888888888889 0.77777777777778 0.74842215565410 14.007 > 37 82 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 82 83 Cd 0.33333333333333 0.00000000000000 0.00000000000000 112.411 > 82 84 Cd 0.66666666666667 0.00000000000000 0.00000000000000 112.411 > 82 85 Cd 0.00000000000000 0.33333333333333 0.00000000000000 112.411 > 82 86 Cd 0.33333333333333 0.33333333333333 0.00000000000000 112.411 > 82 87 Cd 0.66666666666667 0.33333333333333 0.00000000000000 112.411 > 82 88 Cd 0.00000000000000 0.66666666666667 0.00000000000000 112.411 > 82 89 Cd 0.33333333333333 0.66666666666667 0.00000000000000 112.411 > 82 90 Cd 0.66666666666667 0.66666666666667 0.00000000000000 112.411 > 82 91 Cd 0.22222222222222 0.11111111111111 0.33333333333333 112.411 > 82 92 Cd 0.55555555555556 0.11111111111111 0.33333333333333 112.411 > 82 93 Cd 0.88888888888889 0.11111111111111 0.33333333333333 112.411 > 82 94 Cd 0.22222222222222 0.44444444444444 0.33333333333333 112.411 > 82 95 Cd 0.55555555555556 0.44444444444444 0.33333333333333 112.411 > 82 96 Cd 0.88888888888889 0.44444444444444 0.33333333333333 112.411 > 82 97 Cd 0.22222222222222 0.77777777777778 0.33333333333333 112.411 > 82 98 Cd 0.55555555555556 0.77777777777778 0.33333333333333 112.411 > 82 99 Cd 0.88888888888889 0.77777777777778 0.33333333333333 112.411 > 82 100 Cd 0.11111111111111 0.22222222222222 0.66666666666667 112.411 > 82 101 Cd 0.44444444444444 0.22222222222222 0.66666666666667 112.411 > 82 102 Cd 0.77777777777778 0.22222222222222 0.66666666666667 112.411 > 82 103 Cd 0.11111111111111 0.55555555555556 0.66666666666667 112.411 > 82 104 Cd 0.44444444444444 0.55555555555556 0.66666666666667 112.411 > 82 105 Cd 0.77777777777778 0.55555555555556 0.66666666666667 112.411 > 82 106 Cd 0.11111111111111 0.88888888888889 0.66666666666667 112.411 > 82 107 Cd 0.44444444444444 0.88888888888889 0.66666666666667 112.411 > 82 108 Cd 0.77777777777778 0.88888888888889 0.66666666666667 112.411 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4688175 -0.0000000 0.0000000 0.0000000 3.4688175 0.0000000 0.0000000 0.0000000 6.7499183 -------------------------- Born effective charges -------------------------- 1 C -0.2913952 -0.0000000 0.0000000 0.0000000 -0.2913952 0.0000000 0.0000000 0.0000000 5.5390741 2 N -1.0868744 -0.0000000 0.0000000 -0.0000000 -1.0868744 0.0000000 0.0000000 0.0000000 -4.3993671 3 N -1.0868744 -0.0000000 0.0000000 -0.0000000 -1.0868744 0.0000000 0.0000000 0.0000000 -4.3993671 4 Cd 2.4651440 0.0000000 0.0000000 0.0000000 2.4651440 0.0000000 0.0000000 0.0000000 3.2596601 ---------------------------------------------------------------------------- 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[ 82, 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:47:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:47:44]------------------------- Compiled with OpenMP support (max 32 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 1.767070910715129 1.020218865978535 4.848838566666661 b -1.767070910715125 1.020218865978535 4.848838566666661 c 0.000000000000002 -2.040437731957073 4.848838566666661 Atomic positions (fractional): 1 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 2 N 0.58491117767924 0.58491117767924 0.58491117767924 14.007 3 N 0.41508882232076 0.41508882232076 0.41508882232076 14.007 4 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.602425464290762 0.000000000000000 0.000000000000000 b -5.301212732145381 9.181969793806822 0.000000000000000 c 0.000000000000000 0.000000000000000 14.546515699999999 Atomic positions (fractional): 1 C 0.11111111111111 0.22222222222222 0.16666666666667 12.011 > 1 2 C 0.44444444444444 0.22222222222222 0.16666666666667 12.011 > 1 3 C 0.77777777777778 0.22222222222222 0.16666666666667 12.011 > 1 4 C 0.11111111111111 0.55555555555556 0.16666666666667 12.011 > 1 5 C 0.44444444444444 0.55555555555556 0.16666666666667 12.011 > 1 6 C 0.77777777777778 0.55555555555556 0.16666666666667 12.011 > 1 7 C 0.11111111111111 0.88888888888889 0.16666666666667 12.011 > 1 8 C 0.44444444444444 0.88888888888889 0.16666666666667 12.011 > 1 9 C 0.77777777777778 0.88888888888889 0.16666666666667 12.011 > 1 10 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 11 C 0.33333333333333 0.00000000000000 0.50000000000000 12.011 > 1 12 C 0.66666666666667 0.00000000000000 0.50000000000000 12.011 > 1 13 C 0.00000000000000 0.33333333333333 0.50000000000000 12.011 > 1 14 C 0.33333333333333 0.33333333333333 0.50000000000000 12.011 > 1 15 C 0.66666666666667 0.33333333333333 0.50000000000000 12.011 > 1 16 C 0.00000000000000 0.66666666666667 0.50000000000000 12.011 > 1 17 C 0.33333333333333 0.66666666666667 0.50000000000000 12.011 > 1 18 C 0.66666666666667 0.66666666666667 0.50000000000000 12.011 > 1 19 C 0.22222222222222 0.11111111111111 0.83333333333333 12.011 > 1 20 C 0.55555555555556 0.11111111111111 0.83333333333333 12.011 > 1 21 C 0.88888888888889 0.11111111111111 0.83333333333333 12.011 > 1 22 C 0.22222222222222 0.44444444444444 0.83333333333333 12.011 > 1 23 C 0.55555555555556 0.44444444444444 0.83333333333333 12.011 > 1 24 C 0.88888888888889 0.44444444444444 0.83333333333333 12.011 > 1 25 C 0.22222222222222 0.77777777777778 0.83333333333333 12.011 > 1 26 C 0.55555555555556 0.77777777777778 0.83333333333333 12.011 > 1 27 C 0.88888888888889 0.77777777777778 0.83333333333333 12.011 > 1 28 N 0.11111111111111 0.22222222222222 0.25157784434590 14.007 > 28 29 N 0.44444444444444 0.22222222222222 0.25157784434590 14.007 > 28 30 N 0.77777777777778 0.22222222222222 0.25157784434590 14.007 > 28 31 N 0.11111111111111 0.55555555555556 0.25157784434590 14.007 > 28 32 N 0.44444444444444 0.55555555555556 0.25157784434590 14.007 > 28 33 N 0.77777777777778 0.55555555555556 0.25157784434590 14.007 > 28 34 N 0.11111111111111 0.88888888888889 0.25157784434590 14.007 > 28 35 N 0.44444444444444 0.88888888888889 0.25157784434590 14.007 > 28 36 N 0.77777777777778 0.88888888888889 0.25157784434590 14.007 > 28 37 N 0.11111111111111 0.22222222222222 0.08175548898743 14.007 > 37 38 N 0.44444444444444 0.22222222222222 0.08175548898743 14.007 > 37 39 N 0.77777777777778 0.22222222222222 0.08175548898743 14.007 > 37 40 N 0.11111111111111 0.55555555555556 0.08175548898743 14.007 > 37 41 N 0.44444444444444 0.55555555555556 0.08175548898743 14.007 > 37 42 N 0.77777777777778 0.55555555555556 0.08175548898743 14.007 > 37 43 N 0.11111111111111 0.88888888888889 0.08175548898743 14.007 > 37 44 N 0.44444444444444 0.88888888888889 0.08175548898743 14.007 > 37 45 N 0.77777777777778 0.88888888888889 0.08175548898743 14.007 > 37 46 N 0.00000000000000 0.00000000000000 0.58491117767924 14.007 > 28 47 N 0.33333333333333 0.00000000000000 0.58491117767924 14.007 > 28 48 N 0.66666666666667 0.00000000000000 0.58491117767924 14.007 > 28 49 N 0.00000000000000 0.33333333333333 0.58491117767924 14.007 > 28 50 N 0.33333333333333 0.33333333333333 0.58491117767924 14.007 > 28 51 N 0.66666666666667 0.33333333333333 0.58491117767924 14.007 > 28 52 N 0.00000000000000 0.66666666666667 0.58491117767924 14.007 > 28 53 N 0.33333333333333 0.66666666666667 0.58491117767924 14.007 > 28 54 N 0.66666666666667 0.66666666666667 0.58491117767924 14.007 > 28 55 N 0.00000000000000 0.00000000000000 0.41508882232076 14.007 > 37 56 N 0.33333333333333 0.00000000000000 0.41508882232076 14.007 > 37 57 N 0.66666666666667 0.00000000000000 0.41508882232076 14.007 > 37 58 N 0.00000000000000 0.33333333333333 0.41508882232076 14.007 > 37 59 N 0.33333333333333 0.33333333333333 0.41508882232076 14.007 > 37 60 N 0.66666666666667 0.33333333333333 0.41508882232076 14.007 > 37 61 N 0.00000000000000 0.66666666666667 0.41508882232076 14.007 > 37 62 N 0.33333333333333 0.66666666666667 0.41508882232076 14.007 > 37 63 N 0.66666666666667 0.66666666666667 0.41508882232076 14.007 > 37 64 N 0.22222222222222 0.11111111111111 0.91824451101257 14.007 > 28 65 N 0.55555555555556 0.11111111111111 0.91824451101257 14.007 > 28 66 N 0.88888888888889 0.11111111111111 0.91824451101257 14.007 > 28 67 N 0.22222222222222 0.44444444444444 0.91824451101257 14.007 > 28 68 N 0.55555555555556 0.44444444444444 0.91824451101257 14.007 > 28 69 N 0.88888888888889 0.44444444444444 0.91824451101257 14.007 > 28 70 N 0.22222222222222 0.77777777777778 0.91824451101257 14.007 > 28 71 N 0.55555555555556 0.77777777777778 0.91824451101257 14.007 > 28 72 N 0.88888888888889 0.77777777777778 0.91824451101257 14.007 > 28 73 N 0.22222222222222 0.11111111111111 0.74842215565410 14.007 > 37 74 N 0.55555555555556 0.11111111111111 0.74842215565410 14.007 > 37 75 N 0.88888888888889 0.11111111111111 0.74842215565410 14.007 > 37 76 N 0.22222222222222 0.44444444444444 0.74842215565410 14.007 > 37 77 N 0.55555555555556 0.44444444444444 0.74842215565410 14.007 > 37 78 N 0.88888888888889 0.44444444444444 0.74842215565410 14.007 > 37 79 N 0.22222222222222 0.77777777777778 0.74842215565410 14.007 > 37 80 N 0.55555555555556 0.77777777777778 0.74842215565410 14.007 > 37 81 N 0.88888888888889 0.77777777777778 0.74842215565410 14.007 > 37 82 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 82 83 Cd 0.33333333333333 0.00000000000000 0.00000000000000 112.411 > 82 84 Cd 0.66666666666667 0.00000000000000 0.00000000000000 112.411 > 82 85 Cd 0.00000000000000 0.33333333333333 0.00000000000000 112.411 > 82 86 Cd 0.33333333333333 0.33333333333333 0.00000000000000 112.411 > 82 87 Cd 0.66666666666667 0.33333333333333 0.00000000000000 112.411 > 82 88 Cd 0.00000000000000 0.66666666666667 0.00000000000000 112.411 > 82 89 Cd 0.33333333333333 0.66666666666667 0.00000000000000 112.411 > 82 90 Cd 0.66666666666667 0.66666666666667 0.00000000000000 112.411 > 82 91 Cd 0.22222222222222 0.11111111111111 0.33333333333333 112.411 > 82 92 Cd 0.55555555555556 0.11111111111111 0.33333333333333 112.411 > 82 93 Cd 0.88888888888889 0.11111111111111 0.33333333333333 112.411 > 82 94 Cd 0.22222222222222 0.44444444444444 0.33333333333333 112.411 > 82 95 Cd 0.55555555555556 0.44444444444444 0.33333333333333 112.411 > 82 96 Cd 0.88888888888889 0.44444444444444 0.33333333333333 112.411 > 82 97 Cd 0.22222222222222 0.77777777777778 0.33333333333333 112.411 > 82 98 Cd 0.55555555555556 0.77777777777778 0.33333333333333 112.411 > 82 99 Cd 0.88888888888889 0.77777777777778 0.33333333333333 112.411 > 82 100 Cd 0.11111111111111 0.22222222222222 0.66666666666667 112.411 > 82 101 Cd 0.44444444444444 0.22222222222222 0.66666666666667 112.411 > 82 102 Cd 0.77777777777778 0.22222222222222 0.66666666666667 112.411 > 82 103 Cd 0.11111111111111 0.55555555555556 0.66666666666667 112.411 > 82 104 Cd 0.44444444444444 0.55555555555556 0.66666666666667 112.411 > 82 105 Cd 0.77777777777778 0.55555555555556 0.66666666666667 112.411 > 82 106 Cd 0.11111111111111 0.88888888888889 0.66666666666667 112.411 > 82 107 Cd 0.44444444444444 0.88888888888889 0.66666666666667 112.411 > 82 108 Cd 0.77777777777778 0.88888888888889 0.66666666666667 112.411 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4688175 -0.0000000 0.0000000 0.0000000 3.4688175 0.0000000 0.0000000 0.0000000 6.7499183 -------------------------- Born effective charges -------------------------- 1 C -0.2913952 -0.0000000 0.0000000 0.0000000 -0.2913952 0.0000000 0.0000000 0.0000000 5.5390741 2 N -1.0868744 -0.0000000 0.0000000 -0.0000000 -1.0868744 0.0000000 0.0000000 0.0000000 -4.3993671 3 N -1.0868744 -0.0000000 0.0000000 -0.0000000 -1.0868744 0.0000000 0.0000000 0.0000000 -4.3993671 4 Cd 2.4651440 0.0000000 0.0000000 0.0000000 2.4651440 0.0000000 0.0000000 0.0000000 3.2596601 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 17 17 17 ] 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: 1.11, Number of G-points: 293, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/489) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 489 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 5.754 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 18.840 ( 0.000 0.000 0.000) 0.000 18.840 ( 0.000 0.000 0.000) 0.000 38.865 ( 0.000 0.000 0.000) 0.000 61.400 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/489) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 10.989 6.345 24.558) 27.643 0.449 ( 19.320 11.155 3.937) 22.654 0.970 ( 40.321 23.279 15.768) 49.156 5.534 ( -10.441 -6.028 -12.921) 17.672 6.171 ( 2.188 1.263 -23.816) 23.950 6.209 ( 12.891 7.443 4.094) 15.439 6.301 ( 13.939 8.048 12.167) 20.177 8.994 ( -3.220 -1.859 29.212) 29.447 18.842 ( 0.202 0.117 -0.153) 0.279 19.077 ( 2.218 1.281 -10.386) 10.697 38.854 ( -0.478 -0.276 -2.872) 2.925 61.717 ( -41.102 -23.731 184.045) 190.066 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 15.759 9.098 25.222) 31.101 0.885 ( 18.562 10.717 3.527) 21.722 1.905 ( 38.190 22.049 14.498) 46.420 5.270 ( -8.249 -4.762 -13.094) 16.192 6.085 ( -4.913 -2.837 0.177) 5.676 6.647 ( 24.726 14.276 -1.987) 28.620 6.674 ( 14.825 8.559 11.742) 20.758 9.065 ( 2.022 1.168 12.270) 12.490 18.847 ( 0.377 0.218 -0.294) 0.525 19.088 ( 1.634 0.943 -5.086) 5.425 38.822 ( -0.853 -0.493 -5.467) 5.555 61.474 ( -31.194 -18.010 94.105) 100.763 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 18.425 10.637 25.360) 33.102 1.298 ( 17.329 10.005 3.026) 20.237 2.770 ( 34.603 19.978 11.992) 41.717 5.068 ( -5.412 -3.125 -12.180) 13.690 5.965 ( -7.876 -4.547 12.276) 15.278 7.043 ( 14.175 8.184 10.435) 19.412 7.249 ( 29.323 16.930 -1.652) 33.900 9.183 ( 5.452 3.148 5.400) 8.294 18.856 ( 0.502 0.290 -0.408) 0.708 19.109 ( 1.695 0.979 -3.073) 3.643 38.774 ( -1.076 -0.621 -7.513) 7.615 61.109 ( -30.210 -17.442 64.139) 73.012 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 15.609 9.012 2.580) 18.207 1.701 ( 18.496 10.678 23.384) 31.669 3.526 ( 29.657 17.122 8.267) 35.228 4.929 ( -3.016 -1.741 -10.841) 11.387 5.846 ( -8.921 -5.151 22.170) 24.446 7.381 ( 12.656 7.307 8.864) 17.092 7.901 ( 28.756 16.602 1.842) 33.255 9.349 ( 8.393 4.845 -0.165) 9.692 18.866 ( 0.557 0.322 -0.479) 0.802 19.138 ( 1.846 1.066 -1.808) 2.795 38.716 ( -1.152 -0.665 -8.746) 8.847 60.672 ( -29.167 -16.839 48.150) 58.760 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 13.320 7.691 2.216) 15.540 2.176 ( 16.287 9.403 18.500) 26.381 4.146 ( 23.881 13.788 4.420) 27.928 4.840 ( -1.453 -0.839 -9.220) 9.371 5.756 ( -8.434 -4.870 28.723) 30.329 7.671 ( 10.505 6.065 7.146) 14.078 8.517 ( 24.323 14.043 9.226) 29.562 9.547 ( 10.594 6.116 -7.310) 14.250 18.876 ( 0.537 0.310 -0.490) 0.790 19.175 ( 1.874 1.082 -0.902) 2.345 38.654 ( -1.109 -0.640 -8.909) 9.001 60.224 ( -26.145 -15.095 36.664) 47.494 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 10.349 5.975 1.831) 12.089 2.557 ( 12.244 7.069 11.712) 18.359 4.626 ( 18.389 10.617 2.051) 21.333 4.784 ( -0.668 -0.386 -7.230) 7.271 5.699 ( -7.441 -4.296 28.930) 30.179 7.901 ( 7.872 4.545 5.285) 10.514 9.043 ( 17.700 10.219 19.232) 28.064 9.743 ( 10.959 6.327 -16.471) 20.771 18.885 ( 0.444 0.256 -0.428) 0.668 19.212 ( 1.652 0.954 -0.314) 1.934 38.597 ( -0.948 -0.547 -7.796) 7.872 59.827 ( -20.773 -11.993 26.415) 35.680 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 6.634 3.830 1.269) 7.765 2.808 ( 7.281 4.203 5.539) 10.067 4.750 ( -0.330 -0.190 -4.708) 4.723 4.988 ( 13.870 8.008 0.444) 16.022 5.644 ( -7.075 -4.085 22.052) 23.517 8.060 ( 4.878 2.817 3.264) 6.510 9.451 ( 10.427 6.020 27.358) 29.890 9.880 ( 8.470 4.890 -24.680) 26.547 18.892 ( 0.292 0.169 -0.293) 0.447 19.243 ( 1.143 0.660 -0.031) 1.320 38.552 ( -0.652 -0.376 -5.371) 5.423 59.531 ( -13.364 -7.716 16.117) 22.314 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 2.296 1.325 0.463) 2.691 2.928 ( 2.363 1.364 1.485) 3.106 4.732 ( -0.111 -0.064 -1.648) 1.653 5.236 ( 7.713 4.453 -1.603) 9.050 5.563 ( -5.363 -3.096 9.869) 11.651 8.142 ( 1.653 0.954 1.106) 2.206 9.713 ( 3.297 1.904 22.949) 23.263 9.913 ( 3.312 1.912 -21.827) 22.159 18.896 ( 0.102 0.059 -0.105) 0.157 19.260 ( 0.409 0.236 0.019) 0.473 38.527 ( -0.234 -0.135 -1.921) 1.940 59.374 ( -4.611 -2.662 5.435) 7.608 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -0.000 11.302 27.475) 29.709 0.430 ( -0.000 21.848 1.091) 21.875 1.083 ( -0.000 41.393 33.736) 53.399 5.689 ( -0.000 -10.056 12.406) 15.970 5.900 ( 0.000 10.739 -31.828) 33.591 6.153 ( 0.000 14.482 -12.119) 18.884 6.481 ( -0.000 20.610 16.024) 26.106 9.074 ( -0.000 -16.740 30.763) 35.023 18.842 ( 0.000 0.285 -0.068) 0.293 19.025 ( 0.000 5.747 -13.159) 14.359 38.839 ( 0.000 -1.012 -4.018) 4.144 62.612 ( -0.000 -107.522 236.720) 259.995 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 8.448 12.599 26.865) 30.852 0.777 ( 12.912 17.995 3.578) 22.436 1.777 ( 19.429 35.877 27.510) 49.208 5.525 ( -18.305 10.025 -7.908) 22.318 5.918 ( 11.452 -7.197 -5.478) 14.592 6.326 ( 7.160 5.267 7.428) 11.584 6.868 ( 8.957 29.976 7.842) 32.253 9.052 ( 2.280 -8.114 14.088) 16.417 18.846 ( 0.103 0.485 -0.202) 0.536 19.047 ( 1.837 2.860 -7.584) 8.311 38.802 ( -0.577 -1.225 -6.478) 6.618 62.203 ( -31.912 -55.140 137.833) 151.845 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 14.033 12.325 26.978) 32.812 1.187 ( 14.165 16.950 3.389) 22.348 2.563 ( 24.811 28.885 20.282) 43.143 5.288 ( -18.676 14.656 -11.277) 26.282 5.990 ( 4.569 -9.683 8.712) 13.803 6.622 ( 20.921 -1.543 15.368) 26.005 7.359 ( 9.337 36.097 0.952) 37.297 9.108 ( 6.054 -3.631 6.242) 9.424 18.853 ( 0.221 0.706 -0.352) 0.820 19.075 ( 1.869 1.824 -4.473) 5.179 38.747 ( -0.771 -1.264 -8.654) 8.779 61.700 ( -31.355 -35.871 89.311) 101.224 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 13.362 13.621 9.021) 21.106 1.625 ( 15.772 14.009 18.897) 28.322 3.295 ( 24.923 22.170 13.248) 35.891 5.106 ( -15.112 15.105 -10.126) 23.644 5.972 ( -2.391 -9.299 21.741) 23.766 7.063 ( 25.405 -2.449 14.439) 29.324 7.876 ( 11.278 35.857 -1.693) 37.627 9.228 ( 8.736 -1.059 2.122) 9.052 18.864 ( 0.254 0.927 -0.448) 1.061 19.109 ( 1.967 1.468 -2.548) 3.538 38.685 ( -0.752 -1.202 -9.831) 9.933 61.187 ( -30.310 -28.645 64.225) 76.577 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 11.036 13.964 4.207) 18.289 2.086 ( 15.168 10.761 18.587) 26.294 3.915 ( 22.691 15.525 6.919) 28.351 4.991 ( -11.979 15.425 -8.246) 21.200 5.924 ( -4.933 -9.204 29.511) 31.304 7.496 ( 19.640 1.837 12.567) 23.389 8.407 ( 15.229 28.781 0.699) 32.569 9.387 ( 10.301 0.789 -2.164) 10.556 18.875 ( 0.192 1.125 -0.476) 1.237 19.148 ( 2.048 1.216 -1.196) 2.665 38.622 ( -0.602 -1.041 -9.727) 9.801 60.669 ( -28.410 -23.983 48.151) 60.835 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 8.195 13.155 3.031) 15.793 2.468 ( 12.322 7.378 12.534) 19.062 4.404 ( 19.498 9.181 2.704) 21.721 4.933 ( -9.848 16.414 -6.253) 20.137 5.868 ( -5.858 -9.451 31.021) 32.954 7.840 ( 11.071 7.236 9.154) 16.085 8.929 ( 17.562 18.625 8.075) 26.843 9.553 ( 10.237 1.779 -8.573) 13.470 18.887 ( 0.043 1.273 -0.428) 1.343 19.189 ( 1.953 0.885 -0.275) 2.161 38.569 ( -0.356 -0.800 -8.231) 8.278 60.185 ( -24.661 -19.379 35.506) 47.374 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 4.531 11.906 2.097) 12.911 2.732 ( 8.617 3.521 6.130) 11.146 4.750 ( 11.696 4.981 -0.009) 12.713 4.940 ( -4.247 16.613 -3.959) 17.598 5.789 ( -6.609 -10.048 26.179) 28.810 8.077 ( 3.783 10.283 5.394) 12.212 9.398 ( 15.906 9.601 16.805) 25.052 9.675 ( 8.239 1.271 -16.758) 18.717 18.897 ( -0.169 1.347 -0.306) 1.391 19.225 ( 1.594 0.435 0.248) 1.671 38.531 ( -0.013 -0.507 -5.463) 5.487 59.778 ( -18.833 -14.265 24.013) 33.686 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 0.029 10.184 0.982) 10.231 2.876 ( 4.975 -0.153 1.621) 5.234 4.856 ( -5.275 12.647 -1.156) 13.752 5.108 ( 9.424 5.605 -3.544) 11.523 5.662 ( -7.346 -10.333 17.177) 21.349 8.209 ( -1.725 10.600 2.032) 10.930 9.703 ( 4.222 -0.864 -22.321) 22.733 9.763 ( 11.096 2.801 21.191) 24.084 18.905 ( -0.413 1.333 -0.130) 1.402 19.250 ( 0.982 -0.089 0.439) 1.079 38.516 ( 0.416 -0.203 -1.859) 1.915 59.489 ( -11.235 -8.761 12.891) 19.214 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -4.786 7.586 -0.343) 8.976 2.913 ( 1.038 -2.778 -1.028) 3.139 4.873 ( -7.285 13.428 0.562) 15.288 5.243 ( 3.771 -0.523 -4.880) 6.189 5.507 ( -4.205 -7.670 4.685) 9.923 8.241 ( -5.917 8.737 -1.099) 10.609 9.614 ( -0.121 -3.363 -27.939) 28.141 9.982 ( 3.579 -2.570 24.970) 25.356 18.908 ( -0.655 1.229 0.064) 1.394 19.259 ( 0.220 -0.598 0.427) 0.767 38.526 ( 0.873 0.054 1.871) 2.065 59.346 ( -2.513 -3.265 2.155) 4.650 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -9.006 4.149 -1.569) 10.039 2.844 ( -4.362 -4.333 -3.748) 7.201 4.871 ( -6.411 7.899 1.259) 10.251 5.138 ( -10.582 -2.781 1.383) 11.029 5.471 ( 5.217 -1.335 -12.918) 13.996 8.171 ( -8.959 4.710 -4.366) 11.023 9.416 ( -5.195 -4.891 -27.515) 28.425 10.031 ( -4.096 -6.695 23.796) 25.057 18.907 ( -0.861 1.046 0.237) 1.375 19.250 ( -0.538 -0.992 0.378) 1.190 38.560 ( 1.268 0.219 4.955) 5.120 59.361 ( 6.473 1.719 -7.807) 10.286 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -12.345 0.584 -2.578) 12.625 2.645 ( -11.030 -5.475 -8.192) 14.790 4.746 ( -10.378 -9.575 0.424) 14.127 4.990 ( -10.743 12.074 3.016) 16.440 5.500 ( 5.923 1.311 -18.977) 19.923 7.996 ( -10.608 -2.005 -7.896) 13.375 9.135 ( -11.329 -3.777 -21.668) 24.741 9.918 ( -10.041 -9.687 19.136) 23.682 18.901 ( -1.002 0.810 0.355) 1.337 19.227 ( -1.136 -1.199 0.437) 1.708 38.610 ( 1.534 0.290 6.861) 7.036 59.526 ( 14.742 5.682 -16.570) 22.895 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -14.795 -3.607 -4.774) 15.960 2.312 ( -17.276 -5.088 -12.079) 21.685 4.381 ( -19.988 -12.173 -0.390) 23.406 4.999 ( -5.602 13.405 3.349) 14.909 5.552 ( 6.583 3.708 -17.184) 18.772 7.716 ( -10.653 -11.393 -11.136) 19.165 8.793 ( -19.779 0.467 -11.947) 23.112 9.688 ( -11.991 -11.309 11.508) 20.103 18.892 ( -1.058 0.556 0.403) 1.262 19.195 ( -1.473 -1.194 0.676) 2.013 38.669 ( 1.655 0.300 7.438) 7.626 59.815 ( 21.298 8.172 -23.889) 33.032 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -18.028 -9.381 -15.482) 25.549 1.924 ( -20.130 -1.494 -5.281) 20.865 3.852 ( -28.431 -12.407 -3.037) 31.169 5.078 ( -3.298 14.692 5.520) 16.038 5.656 ( 7.903 4.385 -10.626) 13.950 7.338 ( -9.586 -21.564 -13.150) 27.015 8.383 ( -29.827 5.866 -2.542) 30.504 9.424 ( -9.547 -10.948 2.914) 14.815 18.881 ( -1.021 0.321 0.380) 1.136 19.162 ( -1.530 -1.006 1.070) 2.120 38.729 ( 1.649 0.287 6.833) 7.035 60.181 ( 25.243 8.855 -29.683) 39.958 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -20.611 -8.499 -18.188) 28.772 1.551 ( -20.961 -2.554 -2.501) 21.263 3.182 ( -35.872 -11.683 -4.975) 38.053 5.216 ( -2.037 17.471 7.747) 19.220 5.806 ( 8.685 3.099 -2.240) 9.489 6.888 ( -8.312 -28.828 -13.899) 33.066 7.896 ( -36.868 9.235 2.053) 38.063 9.200 ( -5.921 -8.427 -3.204) 10.786 18.868 ( -0.896 0.137 0.298) 0.954 19.135 ( -1.355 -0.699 1.493) 2.133 38.783 ( 1.525 0.253 5.288) 5.509 60.563 ( 25.832 7.561 -33.476) 42.954 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -20.417 -5.571 -13.765) 25.246 1.156 ( -22.123 -2.819 -1.710) 22.368 2.411 ( -42.116 -8.578 -4.511) 43.216 5.404 ( -0.360 18.221 8.060) 19.928 5.974 ( 7.915 0.627 6.355) 10.170 6.424 ( -6.748 -27.253 -14.536) 31.616 7.364 ( -37.720 8.115 1.899) 38.630 9.040 ( -3.699 -4.621 -5.360) 7.985 18.856 ( -0.699 0.027 0.168) 0.720 19.117 ( -1.015 -0.340 1.621) 1.943 38.825 ( 1.272 0.169 2.981) 3.246 60.893 ( 22.324 4.339 -31.640) 38.965 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -17.865 0.000 0.000) 17.865 0.759 ( -22.847 0.000 0.000) 22.847 1.609 ( -46.604 0.000 0.000) 46.604 5.558 ( 2.735 -0.000 -0.000) 2.735 6.118 ( -4.456 0.000 0.000) 4.456 6.121 ( 6.031 -0.000 -0.000) 6.031 6.818 ( -33.148 0.000 0.000) 33.148 8.949 ( -2.768 0.000 0.000) 2.768 18.847 ( -0.460 0.000 0.000) 0.460 19.106 ( -0.589 0.000 0.000) 0.589 38.850 ( 0.893 -0.000 -0.000) 0.893 61.141 ( 14.912 -0.000 -0.000) 14.912 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.000 21.136 1.528) 21.191 0.887 ( -0.000 14.425 28.576) 32.010 2.116 ( -0.000 38.746 29.741) 48.844 5.611 ( -0.000 -9.179 14.906) 17.506 5.949 ( 0.000 13.204 -14.017) 19.257 6.359 ( 0.000 17.544 -14.369) 22.678 7.097 ( -0.000 25.991 23.040) 34.733 8.988 ( -0.000 -8.514 10.060) 13.179 18.850 ( -0.000 0.556 -0.051) 0.558 19.035 ( 0.000 3.626 -6.646) 7.571 38.763 ( 0.000 -1.933 -7.641) 7.881 62.393 ( -0.000 -65.613 121.144) 137.772 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 10.665 19.377 3.644) 22.416 1.198 ( 6.438 14.607 26.437) 30.883 2.675 ( 10.066 34.126 24.046) 42.943 5.656 ( 1.415 -1.545 11.052) 11.249 5.873 ( -10.667 12.401 -12.066) 20.326 6.523 ( 5.600 8.808 6.775) 12.444 7.544 ( 9.570 31.011 12.543) 34.794 8.993 ( 4.339 -4.723 5.726) 8.598 18.857 ( 0.147 0.776 -0.109) 0.797 19.054 ( 1.066 3.023 -4.733) 5.716 38.705 ( -0.420 -2.023 -9.213) 9.442 62.077 ( -18.405 -52.185 93.093) 108.297 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 11.153 17.209 7.532) 21.847 1.591 ( 13.025 14.070 20.591) 28.136 3.258 ( 14.493 26.555 15.712) 34.089 5.572 ( -20.233 21.141 -7.369) 30.176 5.899 ( 7.182 -7.537 11.213) 15.301 6.799 ( 14.471 3.916 19.986) 24.984 8.053 ( 9.615 34.158 1.611) 35.522 9.080 ( 7.254 -2.099 4.268) 8.674 18.869 ( 0.248 1.120 -0.228) 1.169 19.086 ( 1.476 2.421 -2.940) 4.084 38.640 ( -0.457 -1.760 -10.107) 10.269 61.595 ( -24.599 -41.107 71.304) 85.902 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 10.085 14.872 9.878) 20.505 2.027 ( 14.104 13.345 13.898) 23.878 3.776 ( 16.106 17.965 7.320) 25.213 5.425 ( -19.247 24.477 -8.141) 32.184 5.962 ( 2.066 -10.395 23.004) 25.328 7.227 ( 21.480 3.910 20.044) 29.638 8.519 ( 8.412 32.574 -4.362) 33.925 9.220 ( 8.895 -0.745 4.109) 9.826 18.884 ( 0.210 1.520 -0.311) 1.566 19.125 ( 1.702 1.861 -1.458) 2.913 38.578 ( -0.257 -1.334 -9.726) 9.821 61.066 ( -26.261 -33.410 55.072) 69.561 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 8.726 12.929 8.417) 17.724 2.406 ( 10.997 11.615 8.831) 18.271 4.198 ( 16.591 9.920 1.343) 19.377 5.341 ( -16.479 25.798 -6.508) 31.296 5.956 ( -2.376 -11.802 28.412) 30.858 7.706 ( 19.680 7.030 16.436) 26.587 8.924 ( 9.403 25.543 -6.869) 28.072 9.383 ( 8.821 0.013 3.868) 9.632 18.902 ( 0.022 1.912 -0.328) 1.940 19.165 ( 1.786 1.218 -0.339) 2.189 38.530 ( 0.056 -0.848 -7.953) 7.998 60.540 ( -25.215 -26.926 41.867) 55.800 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 6.805 10.593 6.475) 14.158 2.676 ( 6.101 9.564 3.380) 11.838 4.537 ( 16.320 4.050 -1.474) 16.880 5.311 ( -14.508 26.130 -5.709) 30.427 5.886 ( -5.411 -13.009 28.057) 31.396 8.115 ( 10.979 12.165 11.056) 19.768 9.261 ( 12.857 13.109 -13.390) 22.725 9.540 ( 6.623 1.131 9.470) 11.612 18.918 ( -0.288 2.225 -0.274) 2.261 19.203 ( 1.664 0.476 0.384) 1.773 38.501 ( 0.432 -0.387 -5.025) 5.058 60.062 ( -21.779 -20.644 30.058) 42.473 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 4.616 7.655 4.371) 9.950 2.821 ( 0.825 7.696 -0.815) 7.783 4.809 ( 14.441 1.002 -2.921) 14.768 5.298 ( -13.065 23.225 -6.571) 27.446 5.758 ( -7.895 -11.901 24.241) 28.136 8.380 ( 0.368 16.119 5.123) 16.918 9.439 ( 10.728 -0.443 -28.336) 30.302 9.740 ( 7.385 2.092 23.711) 24.923 18.932 ( -0.667 2.391 -0.161) 2.487 19.231 ( 1.303 -0.283 0.732) 1.521 38.497 ( 0.851 -0.027 -1.493) 1.719 59.674 ( -16.200 -14.401 18.975) 28.808 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 2.498 -2.957 -1.687) 4.223 2.864 ( -4.766 13.601 0.903) 14.440 5.001 ( 9.143 -0.560 -4.136) 10.051 5.248 ( -9.419 11.648 -10.070) 18.050 5.619 ( -10.536 -1.682 20.189) 22.835 8.476 ( -8.029 15.260 -0.888) 17.267 9.420 ( 5.113 -4.403 -29.446) 30.209 9.962 ( 6.777 -3.197 24.532) 25.651 18.940 ( -1.049 2.363 -0.018) 2.585 19.246 ( 0.744 -0.932 0.794) 1.433 38.516 ( 1.274 0.182 1.892) 2.288 59.409 ( -8.932 -8.453 8.645) 15.032 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -5.389 -1.234 -4.496) 7.126 2.894 ( -5.671 7.433 0.540) 9.365 5.001 ( -5.354 -4.900 -2.100) 7.556 5.176 ( 2.542 -0.767 -17.398) 17.599 5.566 ( -12.108 14.269 17.148) 25.382 8.395 ( -12.888 7.765 -7.963) 17.023 9.314 ( 0.032 -2.491 -25.002) 25.126 10.074 ( 1.428 -8.038 22.237) 23.688 18.942 ( -1.368 2.129 0.119) 2.534 19.245 ( 0.094 -1.353 0.705) 1.529 38.556 ( 1.641 0.237 4.420) 4.720 59.289 ( -0.660 -3.230 -0.492) 3.333 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -9.338 -3.610 -5.667) 11.504 2.807 ( -12.140 5.415 -1.902) 13.429 4.809 ( -7.515 -9.355 0.546) 12.012 5.119 ( 1.114 -1.195 -21.927) 21.988 5.611 ( -11.219 20.800 15.166) 28.081 8.136 ( -14.410 -4.292 -14.560) 20.930 9.186 ( -5.398 3.380 -17.710) 18.820 10.027 ( -5.745 -11.489 18.487) 22.512 18.936 ( -1.572 1.722 0.217) 2.341 19.230 ( -0.514 -1.477 0.599) 1.674 38.608 ( 1.900 0.190 5.675) 5.988 59.320 ( 7.711 0.810 -7.844) 11.029 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -13.375 -5.932 -7.688) 16.528 2.582 ( -18.346 3.874 -3.869) 19.145 4.565 ( -13.382 -9.459 3.990) 16.867 5.056 ( 3.988 0.894 -22.681) 23.046 5.699 ( -10.682 22.311 14.944) 28.900 7.733 ( -14.038 -15.784 -17.868) 27.667 9.055 ( -11.261 9.675 -10.893) 18.414 9.818 ( -11.862 -14.185 13.397) 22.835 18.925 ( -1.628 1.209 0.255) 2.044 19.206 ( -0.963 -1.308 0.556) 1.717 38.666 ( 2.037 0.121 5.629) 5.987 59.490 ( 15.136 3.271 -12.813) 20.099 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -17.943 -6.395 -9.763) 21.405 2.262 ( -21.374 2.237 -3.239) 21.734 4.187 ( -23.311 -7.857 1.292) 24.633 5.111 ( 9.017 3.397 -14.601) 17.494 5.804 ( -9.779 21.955 16.131) 28.946 7.240 ( -12.883 -23.868 -18.342) 32.743 8.890 ( -19.823 14.375 -4.499) 24.896 9.496 ( -12.801 -15.989 6.511) 21.492 18.908 ( -1.535 0.689 0.228) 1.697 19.179 ( -1.191 -0.925 0.566) 1.611 38.722 ( 2.054 0.083 4.508) 4.954 59.770 ( 20.556 3.909 -14.659) 25.548 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -21.458 -4.226 -7.982) 23.281 1.899 ( -22.383 0.466 -1.540) 22.441 3.661 ( -31.920 -5.010 -0.863) 32.322 5.280 ( 10.477 5.092 -6.008) 13.107 5.924 ( -7.787 19.076 16.501) 26.398 6.721 ( -11.212 -25.573 -16.877) 32.627 8.578 ( -32.246 10.314 0.944) 33.869 9.207 ( -6.692 -10.148 -0.379) 12.161 18.890 ( -1.317 0.260 0.139) 1.350 19.154 ( -1.200 -0.448 0.492) 1.372 38.771 ( 1.943 0.063 2.574) 3.226 60.116 ( 23.130 2.720 -11.815) 26.115 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -22.518 0.000 0.000) 22.518 1.520 ( -22.809 0.000 0.000) 22.809 3.043 ( -38.564 0.000 0.000) 38.564 5.464 ( 7.462 -0.000 -0.000) 7.462 5.991 ( -2.759 0.000 0.000) 2.759 6.342 ( -8.975 0.000 0.000) 8.975 8.039 ( -37.462 0.000 0.000) 37.462 9.072 ( -4.415 0.000 0.000) 4.415 18.871 ( -1.022 0.000 0.000) 1.022 19.135 ( -1.065 0.000 0.000) 1.065 38.807 ( 1.682 -0.000 -0.000) 1.682 60.487 ( 22.776 -0.000 -0.000) 22.776 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -0.000 19.652 1.904) 19.744 1.399 ( -0.000 14.400 27.452) 31.000 3.019 ( -0.000 32.865 20.787) 38.887 5.584 ( -0.000 -6.475 15.606) 16.896 6.160 ( -0.000 14.783 -1.753) 14.886 6.583 ( 0.000 17.876 -14.782) 23.196 7.798 ( -0.000 24.613 25.166) 35.201 8.957 ( -0.000 1.422 3.511) 3.788 18.863 ( -0.000 0.774 0.059) 0.776 19.060 ( 0.000 3.574 -4.003) 5.366 38.649 ( 0.000 -2.308 -9.759) 10.028 62.063 ( -0.000 -54.105 82.647) 98.782 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 10.296 18.332 2.440) 21.166 1.677 ( 4.651 12.464 24.941) 28.267 3.425 ( 4.862 27.112 13.417) 30.639 5.673 ( 8.760 -6.003 16.359) 19.503 6.134 ( -17.429 20.985 -9.999) 29.054 6.760 ( 6.826 10.458 5.394) 13.603 8.199 ( 9.296 21.913 17.130) 29.326 9.040 ( 1.971 8.589 3.049) 9.325 18.874 ( 0.303 0.964 0.051) 1.012 19.086 ( 0.574 3.454 -2.825) 4.499 38.586 ( -0.175 -1.975 -9.865) 10.063 61.762 ( -12.589 -47.954 69.103) 85.049 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 12.267 16.770 5.888) 21.596 1.986 ( 9.704 10.047 17.795) 22.623 3.788 ( 7.291 19.010 4.829) 20.925 5.838 ( 7.533 -6.265 21.082) 23.247 5.990 ( -18.888 24.375 -13.954) 33.847 7.059 ( 14.020 6.178 18.116) 23.726 8.616 ( 11.318 18.433 4.191) 22.033 9.197 ( 1.555 13.750 5.775) 14.994 18.892 ( 0.520 1.340 -0.026) 1.437 19.120 ( 0.835 2.946 -1.587) 3.449 38.530 ( -0.055 -1.291 -8.970) 9.062 61.319 ( -19.234 -40.407 56.209) 71.848 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 8.101 7.291 14.488) 18.130 2.372 ( 13.457 15.989 3.814) 21.243 4.073 ( 9.642 10.446 -2.092) 14.369 5.873 ( -18.491 27.927 -10.885) 35.218 5.951 ( 2.875 -9.755 25.624) 27.568 7.487 ( 21.024 6.169 17.223) 27.869 8.942 ( 10.066 12.916 -7.082) 17.841 9.392 ( 0.527 15.898 10.118) 18.852 18.916 ( 0.506 1.851 -0.103) 1.922 19.156 ( 0.974 2.121 -0.504) 2.388 38.490 ( 0.233 -0.533 -6.919) 6.943 60.823 ( -21.890 -33.027 44.363) 59.481 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 8.089 3.010 9.618) 12.922 2.724 ( 7.781 17.122 2.046) 18.918 4.307 ( 12.923 3.249 -5.542) 14.432 5.794 ( -14.656 20.762 -10.912) 27.658 5.975 ( -5.169 -3.612 30.224) 30.875 7.984 ( 22.004 8.450 12.535) 26.696 9.134 ( 7.253 6.961 -16.905) 19.668 9.593 ( 0.513 13.324 14.599) 19.771 18.942 ( 0.219 2.418 -0.154) 2.433 19.188 ( 1.038 1.041 0.312) 1.503 38.472 ( 0.585 0.098 -3.991) 4.034 60.331 ( -21.548 -25.826 33.257) 47.300 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 7.120 -0.319 4.228) 8.287 2.966 ( 0.866 17.046 0.849) 17.089 4.529 ( 15.567 -1.433 -6.472) 16.919 5.662 ( -12.334 4.633 -6.047) 14.497 5.983 ( -11.147 11.212 25.040) 29.613 8.448 ( 15.028 13.219 8.019) 21.561 9.180 ( 4.833 0.048 -25.646) 26.097 9.777 ( 1.962 6.614 18.430) 19.678 18.966 ( -0.313 2.907 -0.170) 2.928 19.212 ( 1.015 -0.131 0.812) 1.306 38.478 ( 0.955 0.484 -0.769) 1.318 59.892 ( -18.674 -18.838 22.752) 34.946 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 4.796 -2.668 -0.385) 5.501 3.094 ( -4.361 15.620 0.551) 16.226 4.735 ( 15.024 -4.012 -7.129) 17.107 5.427 ( -12.080 -5.756 -4.861) 14.237 6.024 ( -13.940 21.173 20.801) 32.792 8.745 ( -2.758 17.382 1.789) 17.690 9.127 ( 8.792 -6.270 -29.574) 31.484 9.929 ( 3.813 -1.746 20.547) 20.971 18.984 ( -0.980 3.145 -0.141) 3.297 19.225 ( 0.873 -1.138 0.999) 1.748 38.506 ( 1.320 0.590 2.038) 2.499 59.543 ( -13.653 -12.329 13.081) 22.573 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 0.629 -3.964 -3.308) 5.201 3.134 ( -7.721 13.228 0.575) 15.328 4.873 ( 10.056 -6.025 -7.131) 13.722 5.136 ( -9.967 -8.884 -8.473) 15.813 6.091 ( -15.357 26.130 20.169) 36.406 8.631 ( -14.110 0.404 -17.345) 22.363 9.188 ( 6.340 6.869 -15.962) 18.498 10.026 ( 3.779 -8.943 19.996) 22.228 18.992 ( -1.614 2.977 -0.069) 3.387 19.227 ( 0.588 -1.717 0.936) 2.042 38.548 ( 1.655 0.479 3.841) 4.210 59.315 ( -6.988 -6.708 4.780) 10.802 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -4.823 -4.451 -4.514) 7.966 3.089 ( -11.705 9.995 -0.161) 15.392 4.825 ( -5.316 -10.510 2.352) 12.011 4.950 ( 3.211 -4.146 -20.018) 20.694 6.175 ( -16.048 28.510 20.765) 38.750 8.238 ( -15.305 -12.090 -23.130) 30.256 9.266 ( -2.321 13.079 -10.942) 17.210 10.029 ( -0.118 -12.998 16.889) 21.312 18.987 ( -2.044 2.370 0.021) 3.130 19.220 ( 0.165 -1.734 0.727) 1.888 38.599 ( 1.932 0.273 4.371) 4.787 59.224 ( 0.619 -2.404 -1.472) 2.886 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -10.422 -4.275 -4.766) 12.232 2.922 ( -17.206 6.019 -1.510) 18.291 4.668 ( -5.776 -7.399 7.960) 12.307 4.875 ( 2.773 -2.855 -22.564) 22.912 6.268 ( -16.293 28.941 21.102) 39.349 7.726 ( -15.650 -20.279 -23.217) 34.571 9.279 ( -6.980 14.310 -8.283) 17.948 9.898 ( -7.246 -14.379 12.421) 20.336 18.970 ( -2.179 1.489 0.084) 2.641 19.206 ( -0.323 -1.284 0.483) 1.410 38.651 ( 2.131 0.101 3.714) 4.283 59.276 ( 8.270 0.236 -4.960) 9.646 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -15.620 -2.939 -3.845) 16.352 2.632 ( -21.088 2.412 -1.526) 21.280 4.471 ( -15.847 -3.827 4.135) 16.819 4.887 ( 10.135 -0.765 -12.034) 15.752 6.352 ( -16.078 26.620 19.751) 36.841 7.162 ( -14.907 -24.017 -20.453) 34.891 9.253 ( -9.140 14.772 -5.897) 18.344 9.609 ( -15.308 -14.920 7.734) 22.732 18.945 ( -2.042 0.620 0.080) 2.135 19.189 ( -0.758 -0.624 0.261) 1.016 38.700 ( 2.228 0.022 2.162) 3.105 59.457 ( 14.984 1.029 -4.876) 15.791 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -19.663 0.000 0.000) 19.663 2.275 ( -22.429 0.000 0.000) 22.429 4.115 ( -24.983 0.000 0.000) 24.983 5.067 ( 13.497 -0.000 -0.000) 13.497 6.320 ( -14.802 0.000 0.000) 14.802 6.710 ( -12.924 0.000 0.000) 12.924 9.151 ( -27.346 0.000 0.000) 27.346 9.235 ( -5.404 0.000 0.000) 5.404 18.917 ( -1.722 0.000 0.000) 1.722 19.172 ( -1.047 0.000 0.000) 1.047 38.742 ( 2.180 -0.000 -0.000) 2.180 59.746 ( 19.969 -0.000 -0.000) 19.969 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -0.000 17.237 1.940) 17.346 1.850 ( -0.000 10.349 23.457) 25.639 3.679 ( -0.000 23.290 7.334) 24.418 5.612 ( -0.000 -3.792 15.381) 15.842 6.459 ( -0.000 14.585 3.793) 15.070 6.802 ( 0.000 16.949 -14.139) 22.072 8.351 ( -0.000 9.180 27.327) 28.828 9.191 ( -0.000 22.154 1.504) 22.205 18.880 ( -0.000 0.880 0.186) 0.900 19.108 ( 0.000 3.950 -2.255) 4.548 38.531 ( 0.000 -1.591 -9.090) 9.229 61.666 ( -0.000 -47.561 61.883) 78.049 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 10.710 15.753 2.185) 19.174 2.052 ( 3.254 7.184 19.970) 21.471 3.904 ( 1.678 16.877 -0.147) 16.960 5.710 ( 7.462 -3.734 15.620) 17.708 6.466 ( -14.547 19.786 -6.431) 25.386 6.996 ( 8.836 10.312 2.383) 13.787 8.590 ( 8.061 4.761 20.075) 22.151 9.436 ( -1.464 27.876 3.066) 28.082 18.894 ( 0.525 0.998 0.185) 1.143 19.139 ( 0.133 3.834 -1.454) 4.102 38.486 ( 0.033 -0.757 -7.564) 7.602 61.378 ( -9.512 -42.765 52.797) 68.606 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 5.557 3.783 14.437) 15.926 2.283 ( 15.789 14.824 3.419) 21.925 4.054 ( 2.842 9.727 -6.582) 12.083 5.864 ( 6.987 -5.547 16.221) 18.512 6.388 ( -15.532 24.171 -7.203) 29.620 7.297 ( 15.163 6.098 10.022) 19.171 8.839 ( 9.458 3.268 8.477) 13.115 9.679 ( -3.712 27.103 5.345) 27.874 18.918 ( 0.969 1.306 0.129) 1.631 19.171 ( 0.045 3.202 -0.638) 3.265 38.459 ( 0.229 0.174 -5.265) 5.273 60.980 ( -15.455 -36.085 43.127) 58.317 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 6.304 0.695 9.439) 11.372 2.705 ( 14.937 15.011 3.318) 21.435 4.148 ( 5.742 3.032 -10.169) 12.065 5.916 ( -1.048 -6.837 11.449) 13.376 6.380 ( -12.705 25.043 2.613) 28.203 7.704 ( 22.617 5.432 7.449) 24.424 9.015 ( 6.794 1.726 -2.262) 7.366 9.865 ( -5.651 21.995 7.988) 24.073 18.951 ( 1.132 1.792 0.050) 2.120 19.196 ( -0.094 2.128 0.067) 2.131 38.454 ( 0.491 0.888 -2.506) 2.703 60.538 ( -18.274 -28.724 33.348) 47.656 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 6.302 -1.473 4.259) 7.748 3.065 ( 8.323 15.585 2.958) 17.914 4.244 ( 11.144 -2.474 -10.678) 15.632 5.796 ( -8.460 -7.559 4.745) 12.297 6.452 ( -11.448 24.659 12.308) 29.843 8.193 ( 26.164 6.242 1.913) 26.967 9.066 ( 1.582 -0.427 -11.450) 11.567 9.977 ( -6.347 14.036 11.126) 19.002 18.989 ( 0.880 2.428 -0.061) 2.583 19.209 ( -0.151 0.713 0.603) 0.947 38.471 ( 0.767 1.211 0.175) 1.444 60.104 ( -18.382 -21.302 23.797) 36.850 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 5.364 -2.677 0.186) 5.998 3.289 ( -0.100 14.815 1.932) 14.941 4.393 ( 15.891 -5.444 -9.367) 19.233 5.546 ( -12.579 -9.177 0.085) 15.571 6.561 ( -12.192 26.050 17.441) 33.637 8.669 ( 23.953 4.325 -9.318) 26.063 8.972 ( -4.976 0.051 -12.473) 13.429 10.017 ( -5.350 4.474 13.647) 15.326 19.024 ( 0.119 3.108 -0.204) 3.117 19.210 ( 0.007 -0.832 0.945) 1.259 38.502 ( 1.050 1.139 2.198) 2.689 59.722 ( -16.089 -14.329 14.946) 26.221 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 3.157 -3.100 -2.164) 4.925 3.374 ( -5.554 12.205 1.070) 13.452 4.570 ( 15.289 -5.758 -7.944) 18.166 5.223 ( -13.811 -9.603 -3.387) 17.160 6.684 ( -13.553 27.889 20.801) 37.338 8.636 ( -5.490 -13.654 -29.451) 32.923 9.140 ( 10.894 16.450 -0.891) 19.750 10.000 ( -2.870 -5.609 14.832) 16.115 19.047 ( -1.107 3.459 -0.304) 3.645 19.203 ( 0.442 -2.019 1.033) 2.311 38.543 ( 1.347 0.803 3.160) 3.528 59.425 ( -11.722 -8.315 7.430) 16.179 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -0.755 -2.900 -2.746) 4.065 3.357 ( -9.067 8.757 0.463) 12.614 4.702 ( 9.588 -5.281 -5.521) 12.260 4.908 ( -10.819 -7.252 -5.711) 14.222 6.809 ( -15.146 29.089 23.112) 40.122 8.210 ( -11.977 -18.867 -28.281) 36.045 9.410 ( 1.802 19.358 -6.792) 20.594 9.942 ( 0.527 -14.266 14.662) 20.464 19.048 ( -2.269 2.758 -0.221) 3.578 19.197 ( 0.779 -2.021 0.780) 2.302 38.587 ( 1.656 0.407 2.963) 3.419 59.239 ( -5.733 -3.722 1.968) 7.113 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -6.020 -1.950 -1.991) 6.634 3.232 ( -13.842 4.321 -0.215) 14.503 4.699 ( -3.339 -6.302 8.598) 11.171 4.751 ( 1.678 -0.322 -15.729) 15.821 6.918 ( -16.844 28.494 23.583) 40.642 7.669 ( -14.600 -23.544 -25.752) 37.824 9.505 ( -6.856 15.348 -6.749) 18.114 9.867 ( 0.456 -13.777 10.055) 17.062 19.025 ( -2.668 1.240 -0.050) 2.942 19.196 ( 0.479 -0.995 0.349) 1.158 38.629 ( 1.949 0.120 1.801) 2.657 59.182 ( 1.238 -0.894 -0.733) 1.694 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -11.370 0.000 0.000) 11.370 2.978 ( -18.716 0.000 0.000) 18.716 4.662 ( -7.533 0.000 0.000) 7.533 4.715 ( 5.527 -0.000 -0.000) 5.527 6.895 ( -18.947 0.000 0.000) 18.947 7.171 ( -13.996 0.000 0.000) 13.996 9.443 ( -7.364 0.000 0.000) 7.364 9.759 ( -8.222 0.000 0.000) 8.222 18.987 ( -2.472 0.000 0.000) 2.472 19.194 ( -0.167 0.000 0.000) 0.167 38.668 ( 2.168 -0.000 -0.000) 2.168 59.257 ( 8.399 -0.000 -0.000) 8.399 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -0.000 13.999 1.599) 14.090 2.158 ( -0.000 4.146 17.697) 18.176 4.024 ( 0.000 12.334 -5.935) 13.687 5.679 ( -0.000 -1.744 13.950) 14.059 6.750 ( -0.000 11.710 3.977) 12.367 7.003 ( 0.000 15.006 -12.251) 19.372 8.648 ( -0.000 2.378 24.178) 24.295 9.750 ( -0.000 30.581 3.148) 30.742 18.898 ( -0.000 0.840 0.245) 0.874 19.173 ( 0.000 4.094 -1.076) 4.233 38.455 ( 0.000 0.156 -5.592) 5.595 61.253 ( -0.000 -40.640 46.659) 61.877 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 11.037 12.130 1.417) 16.461 2.270 ( 2.757 1.263 14.244) 14.563 4.084 ( -0.019 7.191 -10.715) 12.905 5.773 ( 5.740 -2.022 13.125) 14.467 6.771 ( -9.423 15.532 -3.148) 18.438 7.182 ( 9.011 8.666 -1.795) 12.630 8.801 ( 4.357 2.451 17.197) 17.909 10.028 ( -2.941 28.455 3.960) 28.880 18.914 ( 0.759 0.868 0.222) 1.174 19.205 ( -0.273 3.755 -0.595) 3.812 38.445 ( 0.125 1.106 -3.243) 3.429 60.993 ( -7.618 -35.472 39.042) 53.297 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 4.258 -0.889 8.072) 9.170 2.560 ( 17.776 10.766 3.660) 21.102 4.082 ( 0.429 2.539 -13.195) 13.444 5.884 ( 3.480 -4.132 11.239) 12.470 6.777 ( -8.105 19.432 -1.480) 21.107 7.444 ( 15.564 4.482 1.247) 16.245 8.945 ( 4.113 1.383 7.263) 8.461 10.220 ( -6.406 23.590 5.048) 24.960 18.942 ( 1.457 1.048 0.171) 1.803 19.228 ( -0.732 2.938 -0.130) 3.031 38.454 ( 0.281 1.742 -0.876) 1.970 60.651 ( -12.836 -28.655 30.691) 43.907 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 5.068 -2.480 4.059) 6.951 2.986 ( 17.975 11.001 4.051) 21.460 4.056 ( 2.962 -1.726 -13.398) 13.830 5.862 ( -4.716 -6.319 6.541) 10.245 6.868 ( -6.110 21.474 6.538) 23.264 7.806 ( 23.566 2.983 -2.379) 23.873 9.006 ( 1.266 -0.928 -1.357) 2.075 10.305 ( -9.572 16.967 6.352) 20.490 18.983 ( 1.889 1.366 0.093) 2.333 19.235 ( -1.216 1.766 0.257) 2.160 38.478 ( 0.439 1.877 1.056) 2.198 60.278 ( -15.640 -21.234 22.194) 34.468 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 5.245 -2.819 0.711) 5.997 3.361 ( 10.158 12.134 4.512) 16.455 4.065 ( 9.819 -5.885 -12.037) 16.611 5.672 ( -11.483 -7.322 1.850) 13.744 7.023 ( -6.265 22.850 14.220) 27.633 8.223 ( 25.291 0.048 -10.868) 27.528 8.971 ( -0.786 -1.972 -4.350) 4.840 10.281 ( -11.675 9.442 7.356) 16.720 19.030 ( 1.901 1.831 -0.049) 2.640 19.224 ( -1.571 0.357 0.549) 1.702 38.510 ( 0.622 1.544 2.168) 2.734 59.915 ( -16.125 -14.031 14.172) 25.646 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 4.500 -2.349 -1.062) 5.186 3.553 ( -1.830 10.218 2.764) 10.742 4.200 ( 17.925 -6.202 -8.116) 20.631 5.379 ( -15.123 -6.738 -1.020) 16.588 7.205 ( -7.691 24.348 19.901) 32.374 8.385 ( 5.781 -12.269 -25.465) 28.851 9.050 ( 12.251 5.630 1.826) 13.605 10.164 ( -12.336 1.934 7.356) 14.492 19.078 ( 1.260 2.544 -0.302) 2.855 19.196 ( -1.511 -1.264 0.771) 2.115 38.544 ( 0.872 0.952 2.278) 2.619 59.597 ( -14.415 -7.743 7.325) 17.927 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 2.430 -1.391 -1.162) 3.031 3.555 ( -6.566 5.059 0.767) 8.324 4.428 ( 16.137 -2.956 -3.776) 16.834 5.059 ( -15.323 -4.183 -1.637) 15.967 7.389 ( -9.985 25.583 24.043) 36.500 8.069 ( -8.447 -20.438 -27.511) 35.298 9.389 ( 16.375 8.508 -1.249) 18.495 9.976 ( -11.739 -4.480 6.219) 14.020 19.109 ( -1.361 3.224 -0.570) 3.546 19.164 ( 0.403 -2.701 0.852) 2.861 38.576 ( 1.209 0.371 1.465) 1.936 59.354 ( -10.696 -2.937 2.379) 11.345 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -1.267 0.000 0.000) 1.267 3.448 ( -9.537 0.000 0.000) 9.537 4.622 ( 9.432 -0.000 -0.000) 9.432 4.809 ( -11.005 0.000 0.000) 11.005 7.527 ( -18.068 0.000 0.000) 18.068 7.568 ( -8.616 0.000 0.000) 8.616 9.686 ( 11.856 -0.000 -0.000) 11.856 9.753 ( -11.605 0.000 0.000) 11.605 19.079 ( -3.031 0.000 0.000) 3.031 19.175 ( 1.383 -0.000 -0.000) 1.383 38.604 ( 1.600 -0.000 -0.000) 1.600 59.210 ( -5.305 0.000 0.000) 5.305 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -0.000 10.233 1.074) 10.289 2.298 ( -0.000 -1.484 11.389) 11.486 4.090 ( 0.000 3.991 -13.426) 14.006 5.761 ( -0.000 -0.508 11.120) 11.132 6.955 ( -0.000 6.603 2.532) 7.072 7.176 ( 0.000 11.963 -9.235) 15.113 8.867 ( -0.000 3.293 16.356) 16.684 10.334 ( -0.000 26.086 3.729) 26.351 18.915 ( -0.000 0.666 0.211) 0.699 19.242 ( -0.000 3.642 -0.412) 3.665 38.449 ( 0.000 1.933 -1.187) 2.268 60.876 ( -0.000 -31.650 33.054) 45.764 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 2.215 -1.709 5.986) 6.607 2.399 ( 11.958 6.915 3.096) 14.156 4.052 ( -0.764 1.274 -13.969) 14.047 5.835 ( 3.644 -1.128 9.200) 9.960 6.995 ( -2.107 8.618 0.087) 8.872 7.303 ( 6.660 6.919 -4.657) 10.673 8.964 ( 0.782 2.841 10.022) 10.446 10.546 ( -4.038 21.497 3.820) 22.204 18.930 ( 0.959 0.619 0.170) 1.154 19.269 ( -0.600 3.019 -0.177) 3.083 38.470 ( 0.091 2.335 0.528) 2.395 60.664 ( -6.410 -25.629 25.939) 37.023 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 3.548 -3.188 3.480) 5.904 2.752 ( 20.080 6.561 2.693) 21.296 3.984 ( -1.107 -0.780 -12.465) 12.538 5.884 ( -0.415 -3.106 5.986) 6.756 7.094 ( 1.440 12.453 3.153) 12.926 7.497 ( 13.808 2.612 -4.289) 14.692 9.008 ( -1.118 0.747 3.141) 3.417 10.637 ( -8.348 15.533 3.929) 18.066 18.960 ( 1.848 0.659 0.124) 1.966 19.277 ( -1.328 2.074 0.039) 2.463 38.499 ( 0.147 2.167 1.574) 2.682 60.392 ( -11.155 -18.507 18.377) 28.366 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 4.596 -2.639 0.961) 5.386 3.186 ( 22.281 6.276 3.668) 23.437 3.906 ( -0.528 -2.810 -10.193) 10.586 5.792 ( -8.127 -4.125 2.245) 9.386 7.292 ( 2.404 15.198 10.056) 18.382 7.779 ( 21.421 -1.208 -8.774) 23.180 8.968 ( -3.019 -1.521 -1.171) 3.577 10.600 ( -12.126 9.090 3.692) 15.598 19.003 ( 2.483 0.722 0.059) 2.587 19.264 ( -2.042 1.013 0.188) 2.287 38.527 ( 0.229 1.529 1.779) 2.357 60.096 ( -14.041 -11.302 11.054) 21.144 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 4.907 -1.404 -0.208) 5.108 3.608 ( 14.229 8.854 6.616) 18.017 3.847 ( 6.348 -7.144 -9.733) 13.641 5.574 ( -13.706 -3.014 0.107) 14.034 7.526 ( 1.433 15.323 14.624) 21.230 8.029 ( 15.285 -7.289 -15.084) 22.678 8.930 ( 3.284 -0.642 -0.333) 3.362 10.446 ( -14.666 3.300 2.610) 15.257 19.055 ( 2.769 0.688 -0.027) 2.853 19.231 ( -2.647 0.095 0.222) 2.658 38.549 ( 0.417 0.701 1.181) 1.436 59.807 ( -14.959 -4.900 4.690) 16.424 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 4.272 -0.000 -0.000) 4.272 3.682 ( -5.389 0.000 0.000) 5.389 4.086 ( 21.744 -0.000 -0.000) 21.744 5.305 ( -16.215 0.000 0.000) 16.215 7.697 ( 0.759 -0.000 -0.000) 0.759 7.985 ( -5.728 0.000 0.000) 5.728 9.117 ( 17.329 -0.000 -0.000) 17.329 10.212 ( -15.340 0.000 0.000) 15.340 19.105 ( 2.690 -0.000 -0.000) 2.690 19.183 ( -3.070 0.000 0.000) 3.070 38.564 ( 0.756 -0.000 -0.000) 0.756 59.551 ( -13.837 0.000 0.000) 13.837 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -0.000 -4.033 5.557) 6.866 2.359 ( -0.000 6.210 0.575) 6.237 4.012 ( 0.000 0.071 -12.622) 12.622 5.832 ( -0.000 0.015 7.125) 7.125 7.046 ( -0.000 1.831 0.815) 2.004 7.307 ( 0.000 7.776 -5.609) 9.588 9.030 ( -0.000 3.312 7.730) 8.410 10.783 ( -0.000 17.167 3.106) 17.445 18.927 ( -0.000 0.415 0.126) 0.434 19.301 ( -0.000 2.520 -0.124) 2.523 38.497 ( -0.000 2.403 1.389) 2.776 60.588 ( -0.000 -20.258 19.794) 28.323 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 1.787 -3.254 2.666) 4.570 2.523 ( 12.964 3.982 0.972) 13.597 3.954 ( -1.110 -0.580 -9.407) 9.490 5.874 ( 1.502 -0.607 4.578) 4.856 7.100 ( 4.984 2.300 0.883) 5.560 7.381 ( 3.750 4.710 -3.746) 7.091 9.067 ( -1.902 2.027 3.731) 4.653 10.893 ( -4.767 11.496 2.439) 12.681 18.940 ( 1.091 0.315 0.084) 1.139 19.314 ( -0.811 1.683 -0.034) 1.868 38.524 ( 0.001 1.889 1.537) 2.435 60.442 ( -5.719 -13.498 12.951) 19.561 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 3.455 -1.735 0.769) 3.942 2.853 ( 21.710 2.217 1.050) 21.848 3.891 ( -2.207 -0.720 -5.091) 5.595 5.870 ( -3.150 -1.258 1.711) 3.799 7.290 ( 12.983 4.389 3.905) 14.250 7.488 ( 7.650 0.734 -4.420) 8.865 9.031 ( -4.597 0.229 0.600) 4.641 10.864 ( -9.398 5.410 1.512) 10.949 18.969 ( 2.061 0.222 0.043) 2.073 19.305 ( -1.645 0.748 0.030) 1.807 38.543 ( 0.002 0.975 1.004) 1.400 60.250 ( -10.325 -6.409 6.114) 13.604 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 4.535 -0.000 -0.000) 4.535 3.267 ( 25.530 -0.000 -0.000) 25.530 3.828 ( -3.424 0.000 0.000) 3.424 5.758 ( -9.503 0.000 0.000) 9.503 7.572 ( 5.508 -0.000 -0.000) 5.508 7.642 ( 20.768 -0.000 -0.000) 20.768 8.946 ( -4.579 0.000 0.000) 4.579 10.703 ( -13.025 0.000 0.000) 13.025 19.011 ( 2.703 -0.000 -0.000) 2.703 19.275 ( -2.341 0.000 0.000) 2.341 38.551 ( 0.117 -0.000 -0.000) 0.117 60.031 ( -13.504 0.000 0.000) 13.504 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -0.000 -2.131 1.437) 2.571 2.442 ( -0.000 2.080 0.176) 2.088 3.930 ( 0.000 -0.400 -5.051) 5.066 5.872 ( -0.000 0.062 2.446) 2.447 7.061 ( 0.000 0.005 -0.019) 0.020 7.379 ( 0.000 2.703 -1.862) 3.282 9.115 ( -0.000 1.405 2.024) 2.463 11.026 ( -0.000 5.984 1.234) 6.110 18.933 ( -0.000 0.139 0.039) 0.145 19.333 ( -0.000 0.900 -0.025) 0.901 38.544 ( -0.000 1.079 0.948) 1.436 60.430 ( -0.000 -6.990 6.592) 9.608 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 1.865 -0.000 -0.000) 1.865 2.566 ( 13.171 -0.000 -0.000) 13.171 3.907 ( -1.235 0.000 0.000) 1.235 5.887 ( 0.516 -0.000 -0.000) 0.516 7.121 ( 7.546 -0.000 -0.000) 7.546 7.413 ( 2.952 -0.000 -0.000) 2.952 9.101 ( -2.926 0.000 0.000) 2.926 11.015 ( -5.026 0.000 0.000) 5.026 18.943 ( 1.137 -0.000 -0.000) 1.137 19.330 ( -0.882 0.000 0.000) 0.882 38.551 ( -0.044 0.000 0.000) 0.044 60.364 ( -5.492 0.000 0.000) 5.492 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.165 ( -0.000 0.000 13.638) 13.638 0.165 ( -0.000 0.000 13.638) 13.638 0.906 ( -0.000 0.000 73.753) 73.753 5.682 ( 0.000 -0.000 -9.919) 9.919 5.682 ( 0.000 -0.000 -9.919) 9.919 6.113 ( -0.000 0.000 9.417) 9.417 6.113 ( -0.000 0.000 9.417) 9.417 9.578 ( -0.000 0.000 0.529) 0.529 18.838 ( 0.000 -0.000 -0.233) 0.233 18.838 ( 0.000 -0.000 -0.233) 0.233 38.853 ( 0.000 -0.000 -2.079) 2.079 66.290 ( -0.000 0.000 0.906) 0.906 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 17.550 10.132 7.218) 21.512 0.554 ( 17.924 10.348 14.126) 25.058 1.449 ( 22.067 12.740 56.120) 61.634 5.378 ( -10.861 -6.271 -12.682) 17.836 6.010 ( 9.848 5.686 -3.023) 11.767 6.186 ( 16.085 9.287 -5.171) 19.280 6.446 ( 14.099 8.140 11.564) 19.970 9.327 ( -13.396 -7.734 17.819) 23.597 18.838 ( 0.165 0.095 -0.389) 0.433 18.941 ( 5.899 3.406 -7.717) 10.294 38.807 ( -2.169 -1.253 -4.045) 4.757 64.217 (-113.392 -65.467 148.014) 197.615 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 17.724 10.233 4.978) 21.063 1.014 ( 17.240 9.954 23.325) 30.665 2.222 ( 29.067 16.782 36.201) 49.366 5.118 ( -7.982 -4.609 -12.039) 15.163 6.141 ( 2.051 1.184 8.675) 8.993 6.633 ( 24.552 14.175 -2.969) 28.506 6.809 ( 14.385 8.305 10.566) 19.686 9.212 ( -3.249 -1.876 11.402) 12.004 18.842 ( 0.353 0.204 -0.517) 0.659 19.015 ( 3.606 2.082 -5.862) 7.190 38.738 ( -1.908 -1.101 -7.350) 7.673 62.868 ( -64.776 -37.398 114.570) 136.824 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 16.787 9.692 3.772) 19.747 1.505 ( 17.729 10.236 25.209) 32.474 2.988 ( 28.549 16.483 22.980) 40.185 4.929 ( -4.942 -2.853 -10.700) 12.127 6.186 ( -3.202 -1.849 21.448) 21.764 7.161 ( 13.585 7.843 9.090) 18.130 7.233 ( 29.902 17.264 -2.180) 34.596 9.243 ( 2.558 1.477 5.206) 5.985 18.850 ( 0.496 0.287 -0.595) 0.826 19.066 ( 2.861 1.652 -3.569) 4.863 38.666 ( -1.496 -0.864 -9.318) 9.477 62.042 ( -47.882 -27.645 81.954) 98.860 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 15.241 8.799 2.976) 17.849 1.983 ( 16.246 9.380 22.244) 29.098 3.660 ( 25.304 14.609 13.049) 32.000 4.808 ( -2.450 -1.414 -9.033) 9.466 6.183 ( -6.402 -3.696 30.454) 31.338 7.480 ( 11.995 6.925 7.423) 15.715 7.913 ( 31.329 18.088 -1.013) 36.190 9.350 ( 5.534 3.195 1.305) 6.522 18.859 ( 0.576 0.333 -0.601) 0.897 19.115 ( 2.596 1.499 -1.805) 3.499 38.599 ( -1.016 -0.587 -9.551) 9.623 61.355 ( -40.471 -23.366 60.784) 76.672 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 13.038 7.527 2.371) 15.240 2.388 ( 12.976 7.492 16.119) 22.007 4.214 ( 21.210 12.246 6.047) 25.227 4.741 ( -0.775 -0.447 -7.072) 7.128 6.147 ( -8.574 -4.950 33.427) 34.863 7.749 ( 9.783 5.648 5.614) 12.615 8.590 ( 29.222 16.872 0.703) 33.751 9.484 ( 6.278 3.625 -1.392) 7.382 18.870 ( 0.582 0.336 -0.526) 0.853 19.166 ( 2.318 1.338 -0.517) 2.726 38.546 ( -0.488 -0.282 -8.077) 8.096 60.734 ( -34.711 -20.041 45.278) 60.470 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 10.053 5.804 1.746) 11.738 2.683 ( 8.946 5.165 9.040) 13.727 4.653 ( 17.011 9.821 1.423) 19.694 4.712 ( 0.201 0.116 -4.675) 4.680 6.065 ( -10.597 -6.118 30.045) 32.441 7.956 ( 7.082 4.089 3.648) 8.954 9.189 ( 24.194 13.968 -2.427) 28.042 9.608 ( 5.055 2.919 0.710) 5.880 18.880 ( 0.512 0.296 -0.374) 0.700 19.212 ( 1.832 1.058 0.315) 2.139 38.514 ( 0.064 0.037 -5.194) 5.195 60.190 ( -28.163 -16.260 32.245) 45.797 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 6.260 3.614 0.943) 7.289 2.861 ( 4.980 2.875 3.196) 6.579 4.710 ( 0.767 0.443 -1.738) 1.951 4.980 ( 12.600 7.275 -2.685) 14.795 5.915 ( -12.470 -7.199 22.014) 26.305 8.090 ( 4.025 2.324 1.536) 4.895 9.540 ( 10.290 5.941 -28.616) 30.985 9.789 ( 8.845 5.107 25.206) 27.197 18.889 ( 0.376 0.217 -0.168) 0.466 19.247 ( 1.114 0.643 0.735) 1.481 38.508 ( 0.603 0.348 -1.528) 1.679 59.756 ( -20.259 -11.697 20.386) 31.029 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 1.867 1.078 -0.024) 2.156 2.932 ( 1.027 0.593 -0.785) 1.422 4.731 ( 1.115 0.644 1.576) 2.036 5.184 ( 7.304 4.217 -7.198) 11.089 5.696 ( -13.002 -7.507 11.961) 19.196 8.145 ( 0.767 0.443 -0.660) 1.105 9.527 ( 1.074 0.620 -29.652) 29.678 10.074 ( 5.569 3.215 24.581) 25.408 18.895 ( 0.189 0.109 0.053) 0.225 19.266 ( 0.256 0.148 0.852) 0.902 38.528 ( 1.069 0.617 2.055) 2.397 59.465 ( -11.251 -6.496 9.471) 16.078 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -2.677 -1.546 -0.945) 3.233 2.895 ( -3.710 -2.142 -4.054) 5.897 4.771 ( 1.261 0.728 4.834) 5.049 5.215 ( -3.406 -1.966 -6.246) 7.381 5.478 ( -6.613 -3.818 -2.073) 7.912 8.118 ( -2.526 -1.459 -2.840) 4.071 9.375 ( -3.915 -2.260 -28.257) 28.617 10.205 ( -2.508 -1.448 22.542) 22.728 18.898 ( -0.025 -0.014 0.246) 0.248 19.265 ( -0.584 -0.337 0.821) 1.062 38.569 ( 1.394 0.805 4.717) 4.984 59.338 ( -1.831 -1.057 -0.163) 2.121 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -6.895 -3.981 -1.595) 8.120 2.724 ( -9.588 -5.536 -8.323) 13.851 4.824 ( 1.243 0.717 7.605) 7.739 4.988 ( -14.130 -8.158 0.204) 16.317 5.403 ( 1.734 1.001 -15.399) 15.528 8.011 ( -5.700 -3.291 -4.915) 8.215 9.132 ( -8.276 -4.778 -24.419) 26.223 10.148 ( -10.074 -5.816 19.320) 22.552 18.896 ( -0.236 -0.136 0.379) 0.466 19.248 ( -1.240 -0.716 0.781) 1.632 38.625 ( 1.559 0.900 5.960) 6.226 59.381 ( 7.056 4.074 -7.983) 11.407 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -10.511 -6.069 -1.923) 12.289 2.403 ( -15.233 -8.795 -13.209) 21.997 4.618 ( -19.506 -11.262 0.358) 22.527 4.887 ( 1.327 0.766 9.744) 9.863 5.417 ( 5.220 3.014 -14.241) 15.464 7.828 ( -8.625 -4.980 -6.848) 12.087 8.811 ( -13.028 -7.522 -17.768) 23.281 9.932 ( -14.853 -8.576 13.833) 22.034 18.890 ( -0.414 -0.239 0.435) 0.646 19.219 ( -1.603 -0.925 0.803) 2.017 38.684 ( 1.598 0.923 5.758) 6.047 59.578 ( 14.359 8.290 -13.445) 21.347 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -18.883 -10.902 -15.735) 26.889 1.981 ( -13.468 -7.776 -2.035) 15.684 4.115 ( -25.782 -14.885 -0.983) 29.787 4.965 ( 1.940 1.120 11.369) 11.587 5.527 ( 8.192 4.730 -5.722) 11.055 7.576 ( -11.193 -6.462 -8.648) 15.551 8.402 ( -19.161 -11.063 -8.954) 23.869 9.631 ( -15.131 -8.736 5.779) 18.403 18.882 ( -0.532 -0.307 0.419) 0.744 19.186 ( -1.642 -0.948 0.845) 2.076 38.740 ( 1.561 0.901 4.411) 4.765 59.895 ( 19.087 11.020 -15.847) 27.145 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -20.245 -11.689 -13.600) 27.046 1.647 ( -15.816 -9.131 -2.049) 18.377 3.470 ( -31.808 -18.364 -0.984) 36.741 5.071 ( 3.405 1.966 12.648) 13.244 5.721 ( 9.186 5.304 3.719) 11.240 7.265 ( -13.280 -7.667 -10.325) 18.486 7.887 ( -25.374 -14.650 0.108) 29.300 9.334 ( -11.684 -6.746 -2.970) 13.814 18.871 ( -0.573 -0.331 0.346) 0.746 19.155 ( -1.414 -0.816 0.718) 1.783 38.787 ( 1.459 0.842 2.276) 2.831 60.279 ( 20.509 11.841 -13.388) 27.204 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -19.500 -11.258 -5.324) 23.137 1.267 ( -17.608 -10.166 -1.943) 20.425 2.708 ( -36.666 -21.169 1.744) 42.374 5.224 ( 5.683 3.281 13.606) 15.106 5.941 ( 7.748 4.473 8.351) 12.238 6.908 ( -14.700 -8.487 -11.830) 20.690 7.304 ( -27.879 -16.096 8.710) 33.350 9.098 ( -7.374 -4.257 -8.767) 12.221 18.860 ( -0.532 -0.307 0.232) 0.656 19.129 ( -1.043 -0.602 -0.064) 1.206 38.822 ( 1.254 0.724 -0.412) 1.505 60.687 ( 18.684 10.787 0.471) 21.579 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -15.697 -9.062 12.795) 22.186 0.855 ( -18.817 -10.864 -1.388) 21.772 1.876 ( -39.682 -22.910 9.162) 46.728 5.435 ( 8.237 4.756 14.048) 16.965 6.077 ( 1.714 0.990 -5.236) 5.597 6.524 ( -15.108 -8.723 -12.960) 21.733 6.785 ( -22.544 -13.016 22.957) 34.709 8.950 ( -2.588 -1.494 -4.381) 5.302 18.850 ( -0.417 -0.241 0.091) 0.490 19.103 ( -0.937 -0.541 -3.159) 3.340 38.838 ( 0.916 0.529 -3.337) 3.501 61.171 ( 19.177 11.072 53.656) 58.046 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -0.000 18.541 6.363) 19.602 0.652 ( -0.000 21.900 14.790) 26.426 1.690 ( -0.000 20.796 59.346) 62.884 5.594 ( 0.000 11.692 -19.541) 22.772 5.815 ( -0.000 0.512 5.836) 5.859 6.026 ( 0.000 4.304 -6.208) 7.554 6.631 ( -0.000 27.980 10.496) 29.884 9.351 ( -0.000 -18.858 14.414) 23.736 18.840 ( 0.000 0.361 -0.236) 0.431 18.911 ( 0.000 5.801 -5.599) 8.062 38.790 ( 0.000 -3.257 -4.136) 5.264 64.724 ( -0.000 -115.976 104.929) 156.399 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 13.914 16.451 5.363) 22.203 1.000 ( 9.107 17.814 20.067) 28.337 2.239 ( 12.806 23.429 45.647) 52.882 5.378 ( -20.880 14.478 -13.900) 28.963 5.966 ( 12.984 -9.329 9.911) 18.811 6.311 ( 19.769 12.316 -7.817) 24.569 6.979 ( 2.861 30.645 9.331) 32.161 9.228 ( -1.028 -12.736 13.557) 18.629 18.842 ( -0.054 0.613 -0.381) 0.723 18.965 ( 2.627 3.904 -5.353) 7.127 38.722 ( -1.520 -3.024 -6.206) 7.069 63.737 ( -43.586 -75.195 103.279) 134.983 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 13.832 16.150 4.526) 21.740 1.439 ( 14.346 13.512 23.512) 30.679 2.879 ( 18.664 21.208 30.350) 41.464 5.144 ( -17.882 15.246 -11.888) 26.335 6.139 ( 11.316 -9.164 14.407) 20.484 6.746 ( 22.768 6.521 3.799) 23.986 7.386 ( 5.456 34.207 3.447) 34.811 9.201 ( 3.079 -6.216 9.083) 11.429 18.848 ( 0.107 0.831 -0.522) 0.987 19.023 ( 2.777 2.699 -3.870) 5.475 38.641 ( -1.484 -2.258 -8.119) 8.557 62.800 ( -43.306 -49.441 85.083) 107.513 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 11.975 16.023 4.036) 20.407 1.900 ( 15.431 10.254 22.187) 28.905 3.485 ( 20.249 16.663 17.225) 31.374 4.983 ( -14.027 15.605 -9.692) 23.113 6.258 ( 4.203 -9.238 23.654) 25.739 7.213 ( 23.647 3.122 8.897) 25.457 7.848 ( 10.405 34.639 -2.951) 36.289 9.272 ( 6.074 -1.930 5.539) 8.444 18.857 ( 0.194 1.040 -0.572) 1.202 19.079 ( 2.724 2.104 -2.204) 4.087 38.568 ( -0.925 -1.511 -8.506) 8.689 62.004 ( -39.734 -37.422 66.729) 86.209 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 9.846 15.314 3.473) 18.535 2.306 ( 13.239 7.126 17.258) 22.889 4.005 ( 19.915 11.549 7.263) 24.140 4.894 ( -11.010 16.207 -7.216) 20.880 6.294 ( -1.688 -10.162 29.731) 31.465 7.629 ( 16.256 5.828 8.714) 19.343 8.374 ( 18.504 27.981 -7.058) 34.280 9.397 ( 7.135 0.487 4.282) 8.335 18.869 ( 0.183 1.224 -0.526) 1.345 19.136 ( 2.594 1.643 -0.784) 3.169 38.515 ( -0.228 -0.833 -7.099) 7.151 61.287 ( -36.118 -30.305 51.422) 69.765 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 7.114 14.083 2.703) 16.008 2.608 ( 9.771 3.925 10.572) 14.921 4.428 ( 18.270 6.791 0.529) 19.499 4.866 ( -8.844 17.047 -4.519) 19.729 6.245 ( -6.284 -11.490 29.840) 32.587 7.932 ( 7.726 9.809 5.796) 13.766 8.905 ( 22.054 17.824 -13.521) 31.414 9.550 ( 7.021 1.942 8.566) 11.245 18.882 ( 0.081 1.356 -0.395) 1.414 19.189 ( 2.266 1.120 0.249) 2.540 38.489 ( 0.458 -0.260 -4.247) 4.280 60.640 ( -31.484 -24.476 38.213) 55.232 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 3.565 12.394 1.652) 13.002 2.795 ( 6.515 0.930 4.376) 7.903 4.732 ( 10.730 5.171 -3.202) 12.334 4.900 ( -2.833 15.218 -2.886) 15.747 6.103 ( -10.112 -12.553 24.971) 29.721 8.126 ( 1.434 11.298 2.618) 11.685 9.265 ( 15.414 6.592 -27.568) 32.265 9.771 ( 9.575 4.106 21.020) 23.460 18.894 ( -0.096 1.410 -0.203) 1.427 19.232 ( 1.688 0.505 0.866) 1.963 38.491 ( 1.060 0.165 -0.710) 1.286 60.088 ( -25.232 -18.708 26.312) 40.976 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -0.759 10.137 0.321) 10.171 2.885 ( 3.645 -1.460 -0.019) 3.927 4.848 ( -3.777 12.522 0.129) 13.080 5.040 ( 8.396 3.983 -8.116) 12.337 5.877 ( -12.831 -12.182 17.958) 25.210 8.220 ( -3.270 10.393 -0.437) 10.904 9.345 ( 6.376 -0.112 -30.544) 31.202 10.068 ( 9.432 2.149 23.132) 25.074 18.904 ( -0.321 1.371 0.008) 1.408 19.260 ( 0.913 -0.141 1.129) 1.459 38.520 ( 1.524 0.418 2.542) 2.993 59.664 ( -17.368 -12.768 15.606) 26.612 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -5.178 6.899 -1.085) 8.694 2.888 ( -0.274 -2.829 -3.017) 4.145 4.889 ( -5.456 11.148 2.380) 12.638 5.134 ( 5.558 -0.839 -12.628) 13.822 5.613 ( -13.366 -8.133 12.534) 20.047 8.213 ( -6.809 7.284 -3.602) 10.602 9.267 ( 0.606 -2.648 -27.777) 27.910 10.266 ( 3.278 -2.630 21.041) 21.456 18.910 ( -0.562 1.239 0.196) 1.374 19.269 ( 0.074 -0.719 1.157) 1.364 38.567 ( 1.816 0.507 4.646) 5.014 59.399 ( -8.361 -6.882 6.488) 12.624 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -8.889 2.922 -2.230) 9.619 2.784 ( -6.752 -3.631 -6.128) 9.814 4.895 ( -3.690 2.948 3.371) 5.802 5.085 ( -3.212 -3.668 -12.126) 13.069 5.430 ( -9.105 2.537 8.924) 12.999 8.103 ( -9.061 1.656 -6.917) 11.519 9.106 ( -4.257 -2.453 -22.862) 23.384 10.286 ( -4.759 -7.340 18.233) 20.223 18.910 ( -0.782 1.028 0.327) 1.333 19.259 ( -0.670 -1.132 1.074) 1.698 38.624 ( 1.942 0.493 5.165) 5.540 59.309 ( 0.963 -1.498 -0.404) 1.827 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -11.865 -1.909 -3.725) 12.582 2.540 ( -14.475 -3.370 -8.623) 17.183 4.777 ( -11.774 -10.313 3.256) 15.987 4.963 ( -0.836 2.320 -6.341) 6.803 5.424 ( -4.761 10.870 8.853) 14.805 7.888 ( -9.812 -6.487 -9.929) 15.392 8.901 ( -9.595 0.593 -16.648) 19.225 10.120 ( -11.971 -11.129 14.268) 21.696 18.906 ( -0.947 0.767 0.384) 1.278 19.235 ( -1.187 -1.320 0.949) 2.013 38.681 ( 1.957 0.459 4.184) 4.642 59.396 ( 9.558 2.854 -4.336) 10.876 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -16.406 -8.661 -8.991) 20.616 2.214 ( -18.334 0.218 -4.171) 18.803 4.387 ( -21.831 -11.743 -0.146) 24.790 5.016 ( 3.567 3.155 2.982) 5.619 5.531 ( -1.690 12.672 13.575) 18.647 7.575 ( -9.282 -16.007 -11.977) 22.041 8.660 ( -16.753 5.467 -9.853) 20.190 9.810 ( -15.740 -13.413 8.373) 22.310 18.897 ( -1.027 0.492 0.371) 1.198 19.204 ( -1.419 -1.275 0.751) 2.049 38.730 ( 1.916 0.462 2.135) 2.906 59.638 ( 16.352 5.708 -4.333) 17.854 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -20.554 -8.577 -6.634) 23.239 1.888 ( -19.426 -1.015 -1.816) 19.537 3.840 ( -29.608 -12.590 0.637) 32.180 5.146 ( 3.154 7.083 8.148) 11.247 5.714 ( 2.007 10.448 18.977) 21.756 7.181 ( -8.070 -25.114 -12.684) 29.270 8.353 ( -26.517 9.572 -2.264) 28.283 9.444 ( -13.874 -12.869 0.192) 18.925 18.885 ( -1.011 0.238 0.298) 1.080 19.171 ( -1.399 -1.040 0.314) 1.771 38.770 ( 1.820 0.492 -0.511) 1.953 60.002 ( 20.612 6.814 1.569) 21.766 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -21.336 -6.436 3.478) 22.555 1.530 ( -21.044 -2.068 -0.982) 21.168 3.178 ( -36.239 -12.258 4.190) 38.485 5.318 ( 2.074 11.527 10.541) 15.757 5.929 ( 3.770 6.009 19.638) 20.880 6.736 ( -6.416 -31.007 -10.407) 33.331 7.933 ( -35.160 9.319 4.447) 36.644 9.140 ( -8.515 -7.537 -6.508) 13.102 18.871 ( -0.899 0.035 0.176) 0.917 19.140 ( -1.275 -0.698 -0.734) 1.629 38.795 ( 1.621 0.481 -3.397) 3.794 60.465 ( 22.846 6.386 18.430) 30.040 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -18.943 -2.756 18.999) 26.970 1.147 ( -22.346 -1.610 0.169) 22.405 2.454 ( -41.079 -9.365 11.421) 43.654 5.512 ( 1.942 11.220 10.767) 15.672 6.014 ( -0.699 -8.256 -6.631) 10.613 6.382 ( -2.331 -17.541 10.580) 20.617 7.417 ( -36.336 3.327 7.406) 37.232 8.983 ( -3.533 1.036 -3.163) 4.853 18.858 ( -0.709 -0.102 0.009) 0.716 19.106 ( -1.467 -0.356 -3.165) 3.507 38.805 ( 1.315 0.368 -5.983) 6.137 61.081 ( 28.668 5.374 59.138) 65.939 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -0.000 19.692 4.754) 20.258 1.198 ( -0.000 19.034 22.363) 29.366 2.559 ( -0.000 25.588 41.134) 48.443 5.766 ( 0.000 20.010 -15.535) 25.332 5.795 ( -0.000 -8.848 15.349) 17.717 6.176 ( 0.000 17.672 -15.665) 23.615 7.306 ( -0.000 32.218 12.192) 34.448 9.152 ( -0.000 -13.987 14.958) 20.479 18.849 ( -0.000 0.660 -0.135) 0.674 18.964 ( 0.000 4.445 -4.691) 6.463 38.674 ( 0.000 -3.926 -6.570) 7.654 63.702 ( -0.000 -78.639 88.973) 118.745 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 11.170 18.462 4.553) 22.053 1.514 ( 5.695 16.185 24.084) 29.571 3.009 ( 7.236 23.504 29.854) 38.679 5.637 ( -22.510 22.423 -12.877) 34.283 5.883 ( 11.421 -8.256 12.403) 18.773 6.518 ( 18.680 14.626 -6.297) 24.547 7.684 ( 1.776 33.786 9.622) 35.174 9.117 ( 2.671 -9.102 13.281) 16.320 18.855 ( -0.008 0.926 -0.205) 0.948 19.002 ( 1.511 3.835 -3.687) 5.530 38.602 ( -0.808 -3.405 -7.284) 8.082 63.138 ( -22.369 -63.227 77.734) 102.667 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 12.944 18.297 4.486) 22.857 1.876 ( 9.903 11.642 22.830) 27.474 3.462 ( 11.095 18.276 17.128) 27.395 5.441 ( -21.123 24.252 -11.939) 34.306 6.080 ( 13.567 -9.154 16.349) 23.133 6.948 ( 19.486 10.086 3.921) 22.289 8.080 ( 3.140 34.198 2.608) 34.441 9.174 ( 5.508 -3.561 10.531) 12.407 18.865 ( 0.096 1.296 -0.330) 1.340 19.054 ( 2.069 3.105 -2.354) 4.411 38.531 ( -0.669 -2.345 -7.101) 7.508 62.441 ( -29.901 -49.812 65.275) 87.385 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 9.918 18.740 4.933) 21.769 2.233 ( 11.681 7.017 17.931) 22.521 3.860 ( 13.673 11.839 5.945) 19.038 5.313 ( -17.659 25.163 -9.079) 32.053 6.246 ( 7.485 -10.607 22.617) 26.078 7.399 ( 21.417 7.954 7.086) 23.920 8.455 ( 4.914 30.793 -5.870) 31.731 9.307 ( 6.927 0.864 9.495) 11.786 18.880 ( 0.111 1.683 -0.380) 1.729 19.109 ( 2.258 2.363 -1.028) 3.426 38.482 ( -0.070 -1.264 -5.487) 5.631 61.731 ( -31.736 -40.238 52.757) 73.550 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 6.442 17.670 5.330) 19.548 2.526 ( 9.755 4.056 10.691) 15.030 4.198 ( 15.813 6.136 -1.752) 17.052 5.257 ( -14.827 25.421 -6.312) 30.099 6.296 ( -0.247 -12.316 26.604) 29.317 7.847 ( 18.233 9.366 6.040) 21.369 8.775 ( 8.024 21.603 -16.110) 28.118 9.494 ( 7.376 4.290 12.293) 14.964 18.897 ( -0.011 2.036 -0.339) 2.064 19.164 ( 2.199 1.529 0.062) 2.679 38.462 ( 0.629 -0.397 -2.668) 2.769 61.049 ( -30.617 -32.549 40.850) 60.543 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 3.613 15.035 4.896) 16.219 2.716 ( 5.842 2.596 3.551) 7.313 4.493 ( 16.562 2.363 -5.962) 17.761 5.244 ( -13.053 23.966 -4.791) 27.707 6.220 ( -6.782 -12.935 26.225) 30.017 8.207 ( 8.629 13.666 3.944) 16.636 8.989 ( 10.401 8.584 -26.658) 29.875 9.737 ( 8.647 5.543 17.666) 20.435 18.915 ( -0.258 2.296 -0.227) 2.321 19.210 ( 1.888 0.612 0.808) 2.144 38.473 ( 1.238 0.146 0.605) 1.386 60.429 ( -27.092 -25.491 29.711) 47.608 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 1.704 10.525 3.809) 11.322 2.804 ( 1.175 3.072 -1.798) 3.749 4.741 ( 14.920 0.191 -8.348) 17.098 5.226 ( -11.987 18.798 -5.229) 22.899 6.053 ( -11.689 -9.515 23.874) 28.233 8.414 ( -2.548 16.529 0.487) 16.731 9.075 ( 9.817 -0.732 -30.535) 32.083 10.010 ( 9.605 2.125 19.937) 22.232 18.930 ( -0.589 2.406 -0.077) 2.478 19.243 ( 1.351 -0.290 1.205) 1.833 38.508 ( 1.676 0.351 3.370) 3.780 59.911 ( -21.363 -18.655 19.631) 34.493 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -1.277 -0.708 -4.190) 4.437 2.884 ( -2.766 10.547 1.578) 11.018 4.913 ( 10.932 -1.994 -10.807) 15.500 5.143 ( -10.658 7.683 -6.586) 14.697 5.881 ( -14.676 1.937 23.075) 27.415 8.435 ( -10.127 12.134 -6.216) 16.983 9.078 ( 6.367 -1.890 -25.728) 26.572 10.227 ( 7.016 -3.528 19.003) 20.562 18.940 ( -0.947 2.329 0.073) 2.515 19.259 ( 0.671 -1.047 1.317) 1.811 38.559 ( 1.924 0.295 4.821) 5.199 59.530 ( -13.796 -12.145 11.173) 21.509 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -5.274 -2.237 -5.559) 7.982 2.894 ( -7.620 8.456 -0.598) 11.398 4.957 ( 3.345 -4.123 -18.472) 19.220 4.990 ( -5.838 -3.821 0.828) 7.026 5.811 ( -15.453 15.921 23.457) 32.287 8.266 ( -12.637 1.057 -13.123) 18.249 9.053 ( 0.462 3.071 -17.690) 17.960 10.310 ( 0.964 -8.722 16.622) 18.796 18.944 ( -1.267 2.062 0.191) 2.427 19.257 ( -0.024 -1.540 1.239) 1.977 38.613 ( 2.021 0.132 4.615) 5.040 59.316 ( -5.040 -6.331 5.071) 9.550 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -9.597 -4.268 -6.359) 12.279 2.779 ( -14.256 6.839 -2.604) 16.024 4.858 ( -5.344 -7.954 8.206) 12.616 4.868 ( 1.198 -4.578 -18.848) 19.433 5.847 ( -14.671 22.838 23.812) 36.109 7.946 ( -12.813 -10.422 -16.249) 23.170 9.008 ( -5.316 8.383 -11.985) 15.562 10.219 ( -6.712 -12.744 13.370) 19.652 18.939 ( -1.491 1.632 0.258) 2.226 19.240 ( -0.611 -1.703 1.042) 2.088 38.664 ( 2.037 0.021 2.946) 3.582 59.284 ( 3.994 -1.675 2.124) 4.824 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -14.537 -5.334 -5.943) 16.586 2.543 ( -19.138 5.149 -2.449) 19.970 4.596 ( -14.862 -8.019 -3.816) 17.314 4.906 ( 8.086 -2.969 3.792) 9.412 5.940 ( -13.338 24.074 24.840) 37.074 7.522 ( -12.309 -19.811 -16.581) 28.617 8.939 ( -10.325 12.796 -8.427) 18.476 9.955 ( -13.736 -15.719 9.301) 22.854 18.928 ( -1.578 1.105 0.264) 1.944 19.214 ( -1.016 -1.541 0.732) 1.986 38.704 ( 2.025 0.049 0.344) 2.055 59.430 ( 12.293 1.422 3.248) 12.794 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -18.773 -4.150 -1.282) 19.269 2.237 ( -21.276 3.124 -0.841) 21.520 4.190 ( -23.410 -7.467 -1.487) 24.617 5.087 ( 10.787 0.374 11.109) 15.489 6.058 ( -11.301 21.392 25.593) 35.218 7.036 ( -11.429 -25.795 -15.057) 31.980 8.832 ( -16.883 16.305 -4.985) 23.995 9.560 ( -16.561 -17.384 4.024) 24.344 18.911 ( -1.515 0.568 0.205) 1.631 19.184 ( -1.239 -1.129 0.220) 1.691 38.734 ( 1.972 0.183 -2.633) 3.294 59.740 ( 19.106 2.736 9.843) 21.665 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -20.645 -1.212 8.507) 22.362 1.894 ( -22.434 1.455 0.596) 22.489 3.674 ( -30.934 -5.371 2.783) 31.520 5.337 ( 10.119 3.501 14.476) 18.006 6.133 ( -9.082 5.217 13.872) 17.382 6.583 ( -9.637 -16.325 -2.107) 19.074 8.583 ( -29.850 10.309 -0.017) 31.580 9.189 ( -9.450 -9.543 -2.192) 13.608 18.891 ( -1.321 0.118 0.078) 1.329 19.153 ( -1.378 -0.583 -0.689) 1.647 38.752 ( 1.813 0.302 -5.545) 5.842 60.196 ( 24.660 2.249 24.478) 34.819 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -19.830 2.647 20.368) 28.550 1.531 ( -22.899 1.153 1.849) 23.002 3.101 ( -36.384 -0.826 9.417) 37.592 5.542 ( 3.244 -6.240 9.825) 12.083 5.896 ( -2.829 -13.230 -9.329) 16.433 6.518 ( -7.358 12.805 23.086) 27.406 8.041 ( -36.711 -3.759 0.459) 36.906 9.064 ( -3.839 4.803 -0.710) 6.190 18.871 ( -1.041 -0.157 -0.117) 1.059 19.120 ( -1.671 -0.000 -2.265) 2.815 38.755 ( 1.553 0.276 -7.879) 8.036 60.819 ( 31.706 -0.405 51.081) 60.123 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -0.000 18.603 4.186) 19.068 1.722 ( -0.000 14.642 25.315) 29.244 3.285 ( -0.000 22.228 22.321) 31.501 5.765 ( -0.000 -6.192 13.355) 14.720 6.076 ( 0.000 22.398 -10.662) 24.806 6.406 ( 0.000 18.189 -13.542) 22.676 8.034 ( -0.000 31.455 13.113) 34.079 9.076 ( -0.000 -5.260 14.337) 15.272 18.863 ( -0.000 0.882 0.007) 0.882 19.016 ( 0.000 4.367 -3.175) 5.399 38.546 ( 0.000 -3.417 -6.662) 7.487 62.998 ( -0.000 -62.747 68.880) 93.175 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 10.700 17.450 4.039) 20.864 1.978 ( 3.405 10.961 24.329) 26.900 3.582 ( 3.507 17.819 11.874) 21.698 5.849 ( 8.486 -4.125 8.670) 12.814 5.999 ( -19.483 22.972 -7.403) 31.018 6.754 ( 17.934 14.428 -5.377) 23.637 8.377 ( 1.057 27.379 10.514) 29.347 9.140 ( 2.618 2.711 12.198) 12.767 18.874 ( 0.192 1.095 -0.024) 1.112 19.055 ( 0.878 4.154 -2.277) 4.818 38.490 ( -0.246 -2.476 -5.521) 6.056 62.556 ( -14.563 -55.370 59.822) 82.805 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 14.509 17.151 3.989) 22.816 2.230 ( 5.589 6.407 20.669) 22.349 3.829 ( 5.867 11.744 1.696) 13.237 5.823 ( -16.680 22.913 -12.905) 31.141 6.082 ( 9.536 -3.100 18.930) 21.422 7.164 ( 18.755 10.028 0.280) 21.269 8.663 ( 1.702 21.282 2.274) 21.471 9.305 ( 3.447 10.760 10.881) 15.686 18.891 ( 0.388 1.496 -0.118) 1.550 19.103 ( 1.274 3.471 -1.219) 3.893 38.451 ( 0.058 -1.233 -3.453) 3.667 61.973 ( -22.292 -46.885 50.153) 72.183 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 10.740 17.764 5.675) 21.520 2.448 ( 7.901 2.138 13.067) 15.419 4.027 ( 9.295 5.679 -5.710) 12.298 5.736 ( -15.442 24.115 -10.213) 30.403 6.257 ( 4.962 -5.591 23.546) 24.704 7.589 ( 21.999 8.070 0.232) 23.434 8.852 ( 1.294 15.065 -8.354) 17.275 9.532 ( 3.288 14.343 11.985) 18.978 18.914 ( 0.400 1.997 -0.179) 2.044 19.151 ( 1.413 2.447 -0.222) 2.834 38.442 ( 0.599 -0.191 -0.641) 0.898 61.342 ( -25.523 -38.734 40.136) 61.341 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 5.742 -0.751 9.568) 11.184 2.747 ( 6.585 17.986 1.896) 19.247 4.217 ( 13.768 0.849 -9.311) 16.643 5.672 ( -13.789 20.011 -9.094) 25.948 6.322 ( -3.542 -3.779 26.736) 27.233 8.044 ( 22.796 8.791 -2.257) 24.537 8.924 ( -0.583 9.498 -17.535) 19.951 9.772 ( 3.662 11.927 13.937) 18.706 18.940 ( 0.164 2.508 -0.193) 2.521 19.193 ( 1.379 1.191 0.566) 1.908 38.461 ( 1.115 0.390 2.254) 2.545 60.721 ( -25.453 -30.900 30.249) 50.177 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 4.919 -3.086 3.047) 6.558 2.979 ( -0.047 17.777 1.481) 17.839 4.426 ( 16.448 -2.107 -10.497) 19.626 5.559 ( -13.185 9.615 -9.279) 18.772 6.313 ( -10.304 5.031 27.405) 29.708 8.474 ( 17.507 12.020 -3.939) 21.598 8.872 ( -2.762 2.908 -24.061) 24.392 9.987 ( 4.796 5.363 15.473) 17.064 18.964 ( -0.299 2.911 -0.165) 2.931 19.223 ( 1.201 -0.113 1.072) 1.614 38.501 ( 1.481 0.477 4.394) 4.661 60.161 ( -22.598 -23.327 21.081) 38.720 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 2.936 -3.723 -1.745) 5.052 3.105 ( -4.614 15.746 1.314) 16.461 4.621 ( 14.987 -3.525 -11.572) 19.261 5.338 ( -12.982 -1.899 -8.481) 15.623 6.322 ( -14.094 16.680 26.927) 34.669 8.675 ( -10.589 3.502 -18.204) 21.349 8.827 ( 13.971 7.776 -13.772) 21.103 10.151 ( 5.539 -2.721 15.851) 17.010 18.983 ( -0.899 3.069 -0.104) 3.200 19.239 ( 0.902 -1.224 1.287) 1.992 38.551 ( 1.678 0.214 5.126) 5.398 59.705 ( -17.323 -16.210 13.358) 27.227 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -0.614 -3.578 -4.339) 5.658 3.143 ( -8.070 13.067 0.931) 15.387 4.740 ( 9.260 -3.921 -14.644) 17.765 5.063 ( -9.995 -7.825 -2.796) 12.998 6.380 ( -15.972 24.350 26.918) 39.656 8.375 ( -11.484 -8.248 -22.824) 26.849 9.042 ( 3.629 14.341 -9.431) 17.544 10.236 ( 3.984 -9.730 14.613) 18.002 18.991 ( -1.495 2.864 -0.018) 3.231 19.241 ( 0.513 -1.909 1.249) 2.338 38.599 ( 1.763 -0.148 4.249) 4.602 59.392 ( -10.113 -9.935 7.888) 16.223 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -5.589 -3.135 -4.988) 8.121 3.086 ( -12.683 10.041 -0.224) 16.178 4.721 ( 1.952 -3.803 -17.427) 17.943 4.887 ( -3.394 -8.135 8.192) 12.033 6.467 ( -16.963 27.718 27.269) 42.422 7.962 ( -13.088 -16.077 -21.552) 29.904 9.152 ( -3.007 15.584 -8.468) 17.989 10.203 ( -0.853 -14.228 11.915) 18.578 18.988 ( -1.934 2.265 0.074) 2.979 19.231 ( 0.064 -2.028 1.025) 2.274 38.639 ( 1.815 -0.369 2.052) 2.764 59.248 ( -1.671 -4.952 5.459) 7.558 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -10.872 -2.156 -3.510) 11.626 2.907 ( -17.922 6.632 -0.765) 19.125 4.641 ( -1.510 -3.222 -15.213) 15.623 4.832 ( 0.111 -5.338 18.125) 18.895 6.559 ( -17.341 27.376 26.770) 42.033 7.469 ( -13.842 -22.002 -18.765) 32.060 9.185 ( -6.828 15.808 -7.350) 18.722 10.023 ( -8.143 -16.420 8.410) 20.166 18.972 ( -2.113 1.394 0.131) 2.535 19.213 ( -0.405 -1.632 0.679) 1.814 38.669 ( 1.874 -0.335 -0.881) 2.098 59.287 ( 7.138 -1.650 6.821) 10.010 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -15.196 -0.162 1.177) 15.243 2.627 ( -21.093 3.465 0.577) 21.383 4.436 ( -13.484 -2.598 -7.896) 15.840 4.968 ( 9.028 -1.661 22.205) 24.027 6.587 ( -16.977 12.362 14.999) 25.808 6.980 ( -13.567 -13.296 -5.409) 19.751 9.180 ( -9.000 16.522 -6.330) 19.850 9.685 ( -15.843 -17.524 4.965) 24.140 18.947 ( -2.024 0.508 0.108) 2.089 19.192 ( -0.847 -0.942 0.224) 1.287 38.689 ( 1.906 -0.102 -3.962) 4.398 59.507 ( 15.525 -0.276 12.787) 20.115 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -17.630 2.714 9.109) 20.029 2.290 ( -22.423 1.105 2.366) 22.575 4.101 ( -22.473 0.158 -1.580) 22.529 5.235 ( 11.622 -0.619 24.912) 27.496 6.214 ( -13.933 -24.494 -13.517) 31.254 6.875 ( -13.720 20.002 23.003) 33.428 9.112 ( -22.256 11.441 -5.600) 25.644 9.254 ( -10.489 -11.741 2.603) 15.958 18.917 ( -1.739 -0.143 -0.016) 1.745 19.169 ( -1.250 -0.208 -0.412) 1.332 38.698 ( 1.822 0.148 -6.756) 6.999 59.898 ( 23.207 -0.983 24.332) 33.639 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -17.978 5.696 17.393) 25.655 1.932 ( -22.611 0.604 4.110) 22.989 3.697 ( -28.925 4.634 5.026) 29.722 5.427 ( 0.979 -15.870 11.417) 19.575 5.793 ( -0.623 -10.237 -0.931) 10.298 6.961 ( -12.206 22.257 21.980) 33.578 8.559 ( -33.229 -9.540 -2.298) 34.648 9.203 ( -4.810 9.904 -0.398) 11.018 18.887 ( -1.352 -0.409 -0.221) 1.429 19.143 ( -1.679 0.424 -1.346) 2.193 38.697 ( 1.602 0.219 -8.881) 9.027 60.457 ( 30.911 -4.242 42.135) 52.429 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -0.000 16.277 3.544) 16.659 2.142 ( -0.000 7.524 24.368) 25.504 3.748 ( -0.000 14.752 3.778) 15.229 5.772 ( -0.000 -2.922 9.549) 9.986 6.425 ( 0.000 20.744 -7.168) 21.948 6.650 ( 0.000 16.807 -9.496) 19.304 8.626 ( -0.000 14.733 15.181) 21.155 9.256 ( -0.000 16.791 8.765) 18.941 18.882 ( -0.000 0.965 0.090) 0.969 19.082 ( 0.000 4.614 -1.859) 4.974 38.452 ( 0.000 -1.760 -3.565) 3.975 62.371 ( -0.000 -54.038 52.930) 75.642 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 11.009 14.844 3.223) 18.760 2.307 ( 2.046 3.488 21.962) 22.331 3.878 ( 1.169 10.179 -4.304) 11.113 5.853 ( 7.349 -1.830 6.133) 9.745 6.385 ( -15.601 21.506 -4.034) 26.873 6.973 ( 15.762 12.276 -4.574) 20.496 8.792 ( 1.601 7.206 10.310) 12.680 9.499 ( -0.240 25.378 6.945) 26.312 18.895 ( 0.466 1.087 0.053) 1.184 19.123 ( 0.340 4.364 -1.191) 4.536 38.431 ( 0.105 -0.627 -1.120) 1.288 61.979 ( -10.749 -48.714 45.194) 67.314 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 15.593 12.673 2.623) 20.264 2.454 ( 3.981 1.359 17.802) 18.292 3.953 ( 2.675 5.448 -10.170) 11.844 5.959 ( 2.472 1.170 -1.963) 3.366 6.390 ( -7.494 18.884 8.594) 22.060 7.325 ( 17.458 7.778 -3.128) 19.367 8.905 ( 1.810 5.592 0.092) 5.878 9.760 ( -1.722 25.106 7.501) 26.260 18.919 ( 0.891 1.409 -0.020) 1.667 19.164 ( 0.359 3.540 -0.455) 3.587 38.435 ( 0.437 0.352 1.566) 1.664 61.470 ( -17.499 -41.637 36.807) 58.263 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 4.963 -2.598 8.632) 10.290 2.757 ( 13.701 14.618 5.750) 20.844 4.008 ( 6.435 0.946 -12.795) 14.353 5.924 ( -6.265 3.090 -7.247) 10.065 6.531 ( -3.729 15.180 19.222) 24.776 7.702 ( 22.481 6.001 -5.788) 23.977 8.952 ( -0.112 4.808 -9.219) 10.398 9.972 ( -3.007 19.925 8.784) 21.982 18.951 ( 1.046 1.889 -0.094) 2.161 19.197 ( 0.249 2.268 0.217) 2.292 38.463 ( 0.791 0.807 3.929) 4.088 60.915 ( -20.785 -33.872 28.185) 48.721 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 4.359 -4.163 4.124) 7.303 3.106 ( 7.061 16.089 3.984) 18.016 4.101 ( 12.596 -3.054 -12.740) 18.174 5.760 ( -10.831 -0.921 -8.620) 13.873 6.686 ( -7.077 17.685 23.711) 30.415 8.128 ( 25.057 4.989 -10.769) 27.726 8.916 ( -3.359 3.972 -13.836) 14.782 10.110 ( -3.398 11.876 10.060) 15.931 18.987 ( 0.797 2.475 -0.174) 2.606 19.217 ( 0.152 0.700 0.745) 1.033 38.505 ( 1.041 0.673 5.327) 5.470 60.372 ( -21.033 -25.984 19.972) 38.941 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 3.746 -3.945 0.073) 5.441 3.317 ( -1.292 15.180 2.790) 15.488 4.265 ( 16.928 -4.555 -11.513) 20.973 5.487 ( -13.604 -5.228 -8.657) 16.951 6.834 ( -10.296 22.424 26.152) 35.955 8.446 ( 14.367 -3.995 -22.331) 26.852 8.871 ( 0.224 10.510 -7.997) 13.208 10.169 ( -2.563 2.184 10.995) 11.499 19.021 ( 0.085 3.049 -0.254) 3.061 19.222 ( 0.197 -0.925 1.071) 1.429 38.550 ( 1.174 0.146 5.328) 5.458 59.892 ( -18.541 -18.460 12.951) 29.194 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 2.044 -2.896 -2.173) 4.158 3.392 ( -6.159 12.100 2.008) 13.725 4.455 ( 14.770 -3.111 -11.169) 18.777 5.166 ( -13.281 -7.188 -5.133) 15.950 6.985 ( -12.933 26.344 28.061) 40.603 8.296 ( -4.862 -14.162 -25.774) 29.808 9.090 ( 7.778 17.513 -7.208) 20.473 10.160 ( -0.687 -7.741 11.359) 13.763 19.043 ( -1.017 3.300 -0.274) 3.464 19.216 ( 0.444 -2.166 1.139) 2.487 38.588 ( 1.257 -0.440 3.897) 4.119 59.518 ( -13.627 -11.824 7.947) 19.714 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -1.428 -1.456 -2.715) 3.396 3.367 ( -9.627 8.429 1.335) 12.865 4.575 ( 6.655 -0.062 -13.440) 14.998 4.915 ( -6.841 -7.270 5.529) 11.412 7.129 ( -15.566 28.338 29.007) 43.437 7.895 ( -10.698 -20.014 -23.021) 32.326 9.312 ( 1.110 18.957 -9.504) 21.236 10.093 ( 0.785 -15.393 10.423) 18.607 19.046 ( -2.105 2.675 -0.153) 3.407 19.207 ( 0.660 -2.355 0.906) 2.608 38.614 ( 1.366 -0.780 1.403) 2.108 59.286 ( -6.753 -6.586 5.712) 11.027 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -6.168 0.357 -1.535) 6.366 3.235 ( -14.319 4.350 0.635) 14.978 4.575 ( 0.186 1.787 -11.938) 12.073 4.861 ( 0.317 -4.373 16.475) 17.048 7.199 ( -18.864 14.845 14.608) 28.100 7.429 ( -12.255 -11.906 -5.739) 18.024 9.412 ( -5.095 17.009 -8.823) 19.827 9.969 ( -1.268 -17.405 7.052) 18.822 19.024 ( -2.590 1.240 0.016) 2.871 19.201 ( 0.412 -1.469 0.511) 1.609 38.630 ( 1.523 -0.740 -1.575) 2.313 59.219 ( 1.434 -3.158 6.854) 7.681 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -10.558 2.580 1.890) 11.032 2.986 ( -18.446 0.602 1.249) 18.498 4.532 ( -3.938 2.861 -9.063) 10.287 4.954 ( 3.939 -0.862 25.850) 26.162 6.737 ( -16.665 -26.087 -17.169) 35.398 7.392 ( -16.501 23.376 27.152) 39.445 9.415 ( -6.753 10.578 -4.643) 13.382 9.763 ( -8.501 -12.219 0.948) 14.915 18.987 ( -2.476 -0.058 0.046) 2.477 19.195 ( -0.203 -0.406 0.157) 0.480 38.639 ( 1.664 -0.409 -4.495) 4.810 59.330 ( 10.196 -1.801 11.812) 15.707 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -13.460 4.876 7.318) 16.078 2.660 ( -20.483 -1.680 2.836) 20.747 4.403 ( -12.682 5.027 -4.791) 14.459 5.176 ( 8.292 -0.223 31.265) 32.347 6.132 ( -14.975 -28.277 -16.590) 36.042 7.444 ( -16.500 22.251 25.440) 37.611 9.328 ( -8.780 -10.217 6.662) 15.028 9.495 ( -15.195 9.854 -11.117) 21.250 18.944 ( -2.082 -0.741 -0.076) 2.211 19.187 ( -0.866 0.367 -0.175) 0.957 38.641 ( 1.672 -0.023 -6.989) 7.186 59.618 ( 18.910 -2.672 20.801) 28.238 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -15.011 5.866 11.601) 19.857 2.317 ( -20.541 -0.533 5.896) 21.378 4.181 ( -20.210 8.307 0.763) 21.864 5.334 ( -3.046 -16.739 13.387) 21.649 5.707 ( 1.074 -9.041 5.163) 10.466 7.476 ( -14.520 19.175 20.142) 31.372 8.938 ( -24.076 -10.655 2.844) 26.481 9.411 ( -7.920 13.301 -6.546) 16.807 18.905 ( -1.587 -0.815 -0.276) 1.805 19.171 ( -1.482 0.852 -0.609) 1.815 38.637 ( 1.487 0.166 -8.815) 8.941 60.072 ( 27.263 -6.038 33.490) 43.604 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -0.000 13.108 2.753) 13.394 2.392 ( -0.000 -0.608 20.847) 20.856 3.928 ( 0.000 7.412 -9.824) 12.306 5.800 ( -0.000 -0.235 4.565) 4.571 6.735 ( 0.000 15.796 -4.218) 16.350 6.894 ( 0.000 14.246 -4.370) 14.901 8.864 ( -0.000 3.215 9.063) 9.616 9.801 ( -0.000 29.682 4.991) 30.098 18.900 ( -0.000 0.895 0.063) 0.897 19.160 ( -0.000 4.550 -0.901) 4.638 38.429 ( -0.000 0.271 1.354) 1.381 61.777 ( -0.000 -46.249 38.878) 60.419 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 10.975 11.197 2.211) 15.833 2.464 ( 2.101 -3.643 17.742) 18.234 3.937 ( -0.064 4.592 -13.197) 13.973 5.868 ( 5.509 0.031 1.364) 5.675 6.741 ( -9.022 16.672 -0.176) 18.957 7.145 ( 11.825 8.715 -2.878) 14.969 8.927 ( 0.735 3.523 1.844) 4.044 10.082 ( -2.281 27.732 4.678) 28.216 18.915 ( 0.740 0.924 0.009) 1.184 19.199 ( -0.137 4.071 -0.472) 4.101 38.447 ( 0.212 0.981 3.638) 3.774 61.425 ( -8.458 -40.867 31.692) 52.403 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 5.434 -1.411 6.217) 8.376 2.632 ( 15.444 6.200 8.816) 18.833 3.916 ( 0.542 2.086 -13.857) 14.024 5.934 ( 1.700 -1.064 -3.348) 3.903 6.819 ( -3.076 17.539 8.172) 19.593 7.413 ( 15.211 4.679 -4.367) 16.503 8.960 ( -0.268 3.580 -5.986) 6.980 10.283 ( -5.208 22.634 4.899) 23.736 18.943 ( 1.426 1.113 -0.053) 1.810 19.227 ( -0.521 3.085 -0.023) 3.129 38.481 ( 0.417 1.142 5.280) 5.418 60.986 ( -14.192 -33.823 24.085) 43.880 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 3.625 -5.188 4.930) 8.022 3.044 ( 18.197 10.331 5.436) 21.620 3.894 ( 3.012 -0.885 -12.859) 13.236 5.852 ( -6.567 -2.633 -7.411) 10.246 7.019 ( -0.795 18.208 17.049) 24.956 7.727 ( 21.381 2.706 -8.795) 23.277 8.934 ( -2.068 2.531 -11.160) 11.629 10.378 ( -7.928 15.543 5.204) 18.207 18.982 ( 1.830 1.434 -0.128) 2.328 19.239 ( -0.971 1.743 0.369) 2.028 38.522 ( 0.540 0.700 5.866) 5.933 60.515 ( -17.182 -26.078 16.672) 35.401 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 3.928 -4.283 1.704) 6.056 3.423 ( 9.290 12.870 5.771) 16.889 3.919 ( 10.724 -4.913 -11.825) 16.703 5.625 ( -12.335 -3.728 -8.918) 15.671 7.256 ( -2.693 19.925 23.143) 30.657 8.054 ( 19.748 -1.661 -15.062) 24.892 8.880 ( 0.122 3.238 -11.445) 11.895 10.361 ( -9.744 7.269 5.401) 13.302 19.028 ( 1.790 1.888 -0.239) 2.613 19.231 ( -1.310 0.180 0.660) 1.478 38.557 ( 0.599 -0.106 5.208) 5.243 60.064 ( -17.500 -18.437 10.206) 27.392 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 3.611 -2.388 -0.067) 4.330 3.591 ( -3.800 9.723 3.564) 11.031 4.101 ( 19.381 -2.912 -8.202) 21.246 5.325 ( -14.744 -3.440 -7.122) 16.732 7.494 ( -5.111 21.758 27.023) 35.068 8.099 ( 1.148 -11.597 -20.851) 23.887 9.005 ( 12.852 8.954 -9.135) 18.132 10.243 ( -10.118 -1.437 5.520) 11.615 19.073 ( 1.093 2.544 -0.397) 2.797 19.206 ( -1.244 -1.528 0.840) 2.142 38.580 ( 0.671 -0.885 3.434) 3.609 59.675 ( -15.258 -11.624 5.480) 19.948 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 1.937 -0.281 -0.415) 2.001 3.570 ( -6.880 3.839 1.710) 8.062 4.369 ( 14.927 2.474 -5.884) 16.234 5.043 ( -12.784 -2.271 -0.675) 13.002 7.703 ( -4.889 9.192 17.720) 20.553 7.789 ( -13.518 -4.889 -8.869) 16.891 9.310 ( 14.029 12.110 -11.313) 21.713 10.052 ( -8.630 -9.954 5.902) 14.436 19.102 ( -1.130 3.069 -0.472) 3.304 19.175 ( 0.231 -2.924 0.812) 3.043 38.591 ( 0.828 -1.295 0.947) 1.806 59.388 ( -10.662 -6.263 3.205) 12.773 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -1.365 1.838 0.249) 2.303 3.455 ( -9.569 -0.895 1.006) 9.663 4.560 ( 4.446 7.491 -7.440) 11.455 4.898 ( -3.545 -1.608 11.761) 12.389 7.263 ( -13.827 -26.152 -19.757) 35.573 7.903 ( -13.133 24.916 31.257) 42.075 9.562 ( 5.276 15.926 -14.655) 22.276 9.831 ( -4.045 -18.166 7.158) 19.940 19.079 ( -2.994 0.311 0.002) 3.010 19.176 ( 1.381 -0.753 0.173) 1.582 38.592 ( 1.072 -1.208 -1.741) 2.375 59.235 ( -4.086 -2.811 3.908) 6.315 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -5.403 3.937 2.054) 6.994 3.239 ( -13.427 -4.619 0.828) 14.224 4.613 ( -2.967 9.270 -5.238) 11.053 4.983 ( 4.357 0.688 21.176) 21.631 6.665 ( -16.158 -29.323 -17.750) 37.895 8.009 ( -16.231 21.893 29.412) 40.098 9.570 ( -7.899 -4.675 2.302) 9.463 9.732 ( 2.883 1.661 -10.311) 10.835 19.025 ( -2.734 -1.234 0.059) 3.001 19.193 ( 0.556 0.548 -0.059) 0.782 38.591 ( 1.309 -0.749 -4.201) 4.463 59.235 ( 3.905 -1.532 7.853) 8.903 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -8.846 5.603 5.188) 11.686 2.941 ( -16.150 -6.053 1.433) 17.306 4.611 ( -6.772 9.639 -2.472) 12.037 5.190 ( 6.406 1.627 28.457) 29.214 6.044 ( -15.541 -29.034 -16.034) 36.628 8.018 ( -17.419 16.063 24.088) 33.788 9.395 ( -6.836 -10.870 11.304) 17.108 9.717 ( -6.109 11.686 -17.384) 21.819 18.970 ( -2.253 -1.581 -0.086) 2.754 19.203 ( -0.297 1.009 -0.094) 1.057 38.588 ( 1.394 -0.208 -6.181) 6.339 59.400 ( 12.618 -2.528 14.958) 19.732 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -12.210 4.202 7.341) 14.853 2.631 ( -15.740 -2.045 4.015) 16.372 4.542 ( -12.556 10.660 -0.237) 16.473 5.315 ( -7.782 -17.089 11.922) 22.243 5.620 ( 3.413 -6.976 7.848) 11.041 7.945 ( -15.478 9.612 16.477) 24.565 9.206 ( -13.956 -4.739 13.412) 19.927 9.634 ( -8.562 12.117 -16.259) 22.011 18.922 ( -1.701 -1.301 -0.269) 2.158 19.201 ( -1.057 1.186 -0.134) 1.594 38.582 ( 1.233 0.123 -7.560) 7.661 59.724 ( 21.308 -5.859 24.634) 33.094 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -0.000 9.456 2.017) 9.669 2.461 ( -0.000 -7.043 15.383) 16.919 3.923 ( 0.000 3.409 -13.833) 14.247 5.830 ( 0.000 1.541 -0.778) 1.726 6.944 ( 0.000 8.646 -3.085) 9.180 7.119 ( -0.000 10.544 0.701) 10.567 8.963 ( 0.000 4.560 -1.378) 4.763 10.378 ( -0.000 25.667 3.346) 25.884 18.916 ( -0.000 0.711 -0.039) 0.712 19.238 ( -0.000 3.879 -0.313) 3.891 38.475 ( -0.000 1.321 5.226) 5.390 61.234 ( -0.000 -36.947 25.430) 44.852 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 6.363 3.404 2.793) 7.738 2.484 ( 7.362 -4.024 10.690) 13.589 3.892 ( -0.726 2.506 -12.036) 12.316 5.871 ( 3.129 1.160 -3.809) 5.065 6.993 ( -0.015 8.954 -0.151) 8.956 7.272 ( 6.397 5.993 0.855) 8.807 8.990 ( -1.055 5.113 -6.020) 7.968 10.587 ( -3.625 20.999 2.575) 21.465 18.930 ( 0.958 0.669 -0.094) 1.173 19.267 ( -0.517 3.143 -0.077) 3.186 38.511 ( 0.128 1.105 6.013) 6.115 60.936 ( -6.926 -30.816 18.570) 36.639 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 2.600 -5.831 5.353) 8.331 2.793 ( 20.585 4.637 3.906) 21.460 3.853 ( -1.363 1.766 -8.685) 8.967 5.874 ( -1.584 -0.317 -7.350) 7.526 7.160 ( 7.315 10.884 6.013) 14.427 7.449 ( 10.506 2.325 -1.348) 10.844 8.968 ( -3.271 4.191 -9.720) 11.079 10.675 ( -7.651 14.725 1.946) 16.708 18.960 ( 1.840 0.717 -0.145) 1.980 19.278 ( -1.204 2.071 0.150) 2.401 38.545 ( 0.155 0.341 5.823) 5.835 60.576 ( -11.861 -23.501 11.723) 28.817 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 3.664 -4.377 2.996) 6.446 3.227 ( 23.817 4.681 2.837) 24.438 3.810 ( -2.053 0.851 -5.158) 5.616 5.745 ( -8.763 -0.661 -9.393) 12.863 7.461 ( 7.597 12.844 16.484) 22.235 7.662 ( 17.487 -2.040 -9.010) 19.777 8.892 ( -4.070 3.129 -11.312) 12.422 10.631 ( -11.279 7.728 1.260) 13.731 19.003 ( 2.451 0.791 -0.206) 2.584 19.267 ( -1.908 0.873 0.305) 2.121 38.568 ( 0.140 -0.683 4.693) 4.745 60.198 ( -14.589 -15.994 5.599) 22.360 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 4.332 -1.924 1.598) 5.002 3.679 ( 23.556 4.374 1.698) 24.019 3.756 ( -3.367 0.044 -1.855) 3.845 5.518 ( -13.334 0.720 -8.785) 15.984 7.692 ( 4.177 -1.492 7.175) 8.435 7.915 ( 12.071 6.229 1.686) 13.687 8.860 ( 3.873 4.197 -10.990) 12.386 10.465 ( -13.818 0.980 0.382) 13.858 19.053 ( 2.705 0.809 -0.271) 2.836 19.235 ( -2.518 -0.219 0.347) 2.551 38.575 ( 0.180 -1.551 2.874) 3.271 59.841 ( -14.989 -9.197 0.945) 17.611 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 4.077 0.375 1.257) 4.283 3.676 ( -3.935 -2.986 -1.029) 5.046 4.100 ( 19.662 6.143 2.336) 20.731 5.270 ( -14.539 3.103 -5.409) 15.819 7.571 ( -3.715 -20.031 -12.601) 23.954 8.186 ( -0.918 18.789 24.837) 31.157 9.042 ( 17.356 3.631 -12.092) 21.463 10.207 ( -14.692 -4.208 -0.908) 15.310 19.103 ( 2.654 0.460 -0.257) 2.706 19.184 ( -2.998 -0.755 0.217) 3.100 38.569 ( 0.348 -1.925 0.747) 2.094 59.541 ( -13.011 -3.859 -1.561) 13.661 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 2.524 2.280 1.482) 3.710 3.550 ( -5.901 -6.091 -0.124) 8.481 4.461 ( 14.310 7.861 1.811) 16.427 5.077 ( -11.568 5.221 1.039) 12.734 7.147 ( -11.810 -26.765 -15.403) 33.062 8.426 ( -7.162 20.604 30.654) 37.623 9.328 ( 19.263 -1.400 -11.562) 22.510 9.914 ( -13.075 -4.420 -3.656) 14.278 19.115 ( -1.599 -3.308 0.452) 3.702 19.155 ( 0.669 2.427 -0.624) 2.594 38.558 ( 0.629 -1.705 -1.308) 2.239 59.331 ( -8.734 -0.501 -1.418) 8.863 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -0.300 3.970 2.030) 4.469 3.355 ( -8.743 -9.275 0.120) 12.746 4.719 ( 4.180 11.336 -1.028) 12.126 5.029 ( -1.582 4.521 11.833) 12.765 6.579 ( -15.602 -29.840 -14.552) 36.683 8.560 ( -13.366 16.055 28.337) 35.205 9.475 ( 7.724 -15.450 2.792) 17.497 9.745 ( -2.687 10.405 -16.349) 19.564 19.050 ( -2.412 -2.798 0.154) 3.697 19.189 ( 0.958 1.692 -0.398) 1.984 38.548 ( 0.909 -1.067 -3.031) 3.339 59.237 ( -2.445 0.620 1.597) 2.985 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -3.726 5.348 3.320) 7.315 3.090 ( -11.222 -10.429 0.044) 15.320 4.812 ( -4.758 12.565 -0.570) 13.447 5.197 ( 7.367 3.242 20.039) 21.595 5.966 ( -16.094 -29.302 -13.411) 36.021 8.498 ( -16.870 4.561 18.669) 25.572 9.430 ( -0.995 -7.181 16.467) 17.992 9.790 ( 0.731 11.683 -22.554) 25.411 18.987 ( -2.145 -2.441 -0.042) 3.250 19.214 ( 0.299 1.486 -0.178) 1.527 38.543 ( 1.026 -0.346 -4.313) 4.447 59.279 ( 5.310 -0.530 7.332) 9.068 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -9.147 2.134 4.939) 10.612 2.822 ( -9.626 -4.203 0.585) 10.520 4.818 ( -8.279 10.783 0.928) 13.627 5.344 ( -11.097 -18.537 6.829) 22.658 5.517 ( 6.705 -3.280 7.163) 10.345 8.288 ( -14.801 -2.666 10.127) 18.131 9.437 ( -6.383 2.394 22.981) 23.970 9.770 ( -4.327 9.984 -23.748) 26.123 18.934 ( -1.660 -1.774 -0.195) 2.437 19.226 ( -0.442 1.322 0.063) 1.395 38.539 ( 0.864 0.138 -5.137) 5.211 59.463 ( 13.727 -3.848 15.180) 20.825 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -0.000 5.545 1.471) 5.737 2.399 ( -0.000 -8.924 9.549) 13.070 3.882 ( 0.000 2.568 -8.329) 8.715 5.842 ( 0.000 2.355 -5.727) 6.192 7.023 ( 0.000 3.199 -4.054) 5.164 7.301 ( -0.000 5.896 4.832) 7.623 9.029 ( 0.000 6.030 -7.618) 9.716 10.810 ( -0.000 16.765 1.037) 16.797 18.927 ( 0.000 0.469 -0.148) 0.492 19.300 ( -0.000 2.592 -0.016) 2.592 38.543 ( -0.000 0.539 5.975) 6.000 60.783 ( -0.000 -25.446 12.242) 28.237 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.940 -6.193 5.765) 8.512 2.543 ( 13.460 2.303 2.349) 13.856 3.874 ( -1.138 2.718 -3.572) 4.631 5.851 ( 1.029 1.907 -8.237) 8.517 7.083 ( 6.647 3.099 -3.816) 8.268 7.396 ( 3.177 3.153 6.494) 7.887 9.029 ( -2.622 5.314 -9.437) 11.143 10.908 ( -4.559 10.991 -0.164) 11.900 18.939 ( 1.093 0.375 -0.190) 1.171 19.314 ( -0.769 1.684 0.078) 1.853 38.567 ( -0.020 -0.459 5.203) 5.224 60.556 ( -5.906 -18.619 5.732) 20.357 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 2.877 -3.946 3.808) 6.193 2.865 ( 21.743 0.806 1.021) 21.782 3.867 ( -2.407 3.050 1.370) 4.120 5.815 ( -3.448 1.797 -10.250) 10.963 7.290 ( 16.384 2.422 -4.611) 17.192 7.517 ( 5.323 0.854 9.346) 10.789 8.969 ( -5.036 4.288 -10.229) 12.181 10.866 ( -9.145 4.638 -1.255) 10.331 18.968 ( 2.057 0.285 -0.232) 2.090 19.306 ( -1.601 0.668 0.133) 1.740 38.574 ( -0.094 -1.563 3.906) 4.208 60.285 ( -10.355 -11.371 -0.275) 15.382 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 4.286 -1.365 2.492) 5.142 3.254 ( 24.367 -1.972 -1.982) 24.527 3.870 ( -2.903 4.415 6.600) 8.455 5.691 ( -9.005 3.410 -10.648) 14.356 7.498 ( 9.210 -8.847 -5.991) 14.106 7.752 ( 17.683 5.370 10.942) 21.477 8.888 ( -4.360 5.087 -8.728) 11.003 10.688 ( -12.931 -1.282 -2.444) 13.222 19.009 ( 2.705 0.077 -0.266) 2.719 19.276 ( -2.331 -0.180 0.094) 2.340 38.566 ( -0.104 -2.362 2.391) 3.363 60.000 ( -13.027 -4.716 -5.065) 14.751 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 5.051 0.618 1.807) 5.400 3.534 ( 13.418 -7.886 -5.573) 16.532 3.974 ( 6.354 8.444 11.016) 15.265 5.514 ( -12.246 6.095 -9.504) 16.656 7.391 ( -2.163 -19.045 -6.902) 20.372 8.208 ( 22.606 6.499 11.572) 26.214 8.884 ( 1.042 6.481 -5.973) 8.874 10.404 ( -15.078 -5.569 -4.145) 16.600 19.053 ( 2.847 -0.545 -0.218) 2.907 19.229 ( -2.739 -0.419 -0.094) 2.773 38.548 ( 0.029 -2.561 0.957) 2.734 59.729 ( -13.644 0.488 -7.970) 15.808 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 4.969 1.906 1.500) 5.529 3.522 ( 0.107 -10.156 -2.333) 10.421 4.296 ( 15.352 8.102 7.646) 18.967 5.342 ( -12.437 8.852 -6.937) 16.768 7.027 ( -10.531 -26.246 -9.097) 29.708 8.682 ( 16.800 9.077 19.732) 27.459 8.973 ( 7.033 1.421 -7.678) 10.508 10.072 ( -14.104 -6.124 -7.460) 17.090 19.080 ( 1.519 -2.438 0.095) 2.874 19.188 ( -1.782 0.924 -0.533) 2.077 38.529 ( 0.283 -2.117 -0.198) 2.145 59.500 ( -11.996 3.655 -8.470) 15.133 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 3.844 2.874 1.295) 4.972 3.364 ( -4.960 -12.288 -0.600) 13.265 4.649 ( 14.111 7.546 5.047) 16.779 5.231 ( -9.361 10.445 -2.543) 14.255 6.499 ( -15.112 -29.786 -9.234) 34.653 8.957 ( -8.165 3.767 15.385) 17.820 9.135 ( 19.945 -3.181 5.022) 20.812 9.814 ( -6.500 0.638 -14.839) 16.213 19.050 ( -1.157 -3.554 0.189) 3.742 19.192 ( 0.512 1.862 -0.645) 2.036 38.517 ( 0.536 -1.258 -1.014) 1.702 59.341 ( -8.046 4.527 -6.305) 11.180 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 1.711 3.939 1.285) 4.483 3.129 ( -7.739 -13.437 -0.199) 15.508 4.925 ( 6.937 8.454 1.970) 11.112 5.229 ( -1.331 8.340 5.117) 9.875 5.910 ( -16.231 -29.187 -8.445) 34.448 8.767 ( -11.732 -11.696 5.182) 17.357 9.437 ( 7.134 4.147 23.719) 25.114 9.755 ( 2.462 7.255 -23.909) 25.107 18.993 ( -1.711 -3.026 0.034) 3.476 19.219 ( 0.745 1.538 -0.344) 1.743 38.514 ( 0.624 -0.355 -1.537) 1.697 59.276 ( -2.053 3.142 -1.586) 4.074 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -4.958 0.782 3.256) 5.983 2.880 ( -4.615 -7.376 -1.726) 8.870 5.021 ( -4.679 6.163 0.464) 7.751 5.370 ( -12.100 -20.067 1.600) 23.487 5.404 ( 8.056 2.837 3.547) 9.248 8.462 ( -11.508 -12.294 3.212) 17.143 9.637 ( -0.527 5.126 26.294) 26.794 9.774 ( 1.748 8.067 -26.139) 27.412 18.941 ( -1.460 -2.141 -0.072) 2.593 19.240 ( 0.261 1.198 0.048) 1.227 38.516 ( 0.430 0.261 -1.825) 1.893 59.324 ( 5.357 -0.263 5.139) 7.429 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -0.000 -5.844 5.868) 8.282 2.450 ( -0.000 1.473 1.091) 1.834 3.908 ( -0.000 3.200 1.666) 3.608 5.824 ( 0.000 2.370 -9.902) 10.181 7.030 ( 0.000 1.950 -5.055) 5.418 7.418 ( -0.000 0.760 7.857) 7.894 9.061 ( 0.000 4.418 -10.391) 11.291 11.024 ( 0.000 5.594 -1.613) 5.822 18.932 ( 0.000 0.203 -0.226) 0.304 19.334 ( -0.000 0.890 0.072) 0.893 38.577 ( -0.000 -1.533 4.200) 4.471 60.466 ( 0.000 -12.184 -0.657) 12.202 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 1.549 -3.053 4.030) 5.288 2.571 ( 13.030 -0.948 0.906) 13.096 3.947 ( -1.302 3.507 6.449) 7.455 5.812 ( 0.531 2.386 -11.646) 11.900 7.087 ( 7.403 1.724 -5.597) 9.440 7.474 ( 3.237 -1.944 9.206) 9.951 9.028 ( -2.612 2.943 -11.315) 11.980 10.999 ( -5.011 -0.409 -2.700) 5.707 18.941 ( 1.135 0.062 -0.260) 1.166 19.331 ( -0.880 -0.034 0.062) 0.883 38.571 ( -0.108 -2.537 3.115) 4.019 60.322 ( -5.337 -5.189 -6.764) 10.058 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 3.467 -0.845 2.381) 4.290 2.842 ( 20.753 -3.352 -0.685) 21.033 3.985 ( -2.152 3.790 10.193) 11.086 5.777 ( -2.617 3.773 -12.809) 13.607 7.234 ( 11.079 -3.377 -5.247) 12.716 7.572 ( 8.846 -3.145 7.992) 12.330 8.960 ( -2.963 3.031 -10.063) 10.919 10.832 ( -9.569 -5.995 -3.658) 11.870 18.967 ( 2.060 -0.161 -0.295) 2.088 19.305 ( -1.676 -0.819 -0.003) 1.865 38.551 ( -0.171 -3.103 2.233) 3.827 60.139 ( -9.670 1.307 -11.886) 15.378 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 5.011 0.378 1.047) 5.133 3.144 ( 20.637 -6.886 -3.190) 21.988 4.046 ( -0.109 4.721 12.494) 13.357 5.692 ( -6.897 6.432 -13.569) 16.524 7.226 ( -0.350 -16.267 -1.231) 16.317 7.840 ( 22.944 -0.444 -0.439) 22.953 8.940 ( -0.051 5.228 -4.204) 6.709 10.547 ( -12.815 -10.139 -4.842) 17.043 19.001 ( 2.524 -0.643 -0.287) 2.620 19.262 ( -2.147 -1.139 -0.156) 2.435 38.527 ( -0.106 -3.010 1.719) 3.468 59.935 ( -12.558 6.359 -15.343) 20.822 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 6.065 0.823 0.027) 6.121 3.313 ( 10.896 -11.451 -3.557) 16.202 4.207 ( 7.952 5.935 11.134) 14.914 5.574 ( -9.276 9.301 -13.996) 19.194 6.927 ( -9.863 -25.079 -1.727) 27.004 8.258 ( 28.768 -2.263 -7.339) 29.776 9.027 ( 2.508 6.885 6.712) 9.937 10.192 ( -13.597 -11.549 -7.082) 19.194 19.029 ( 2.047 -1.726 -0.137) 2.681 19.218 ( -1.786 -0.537 -0.423) 1.912 38.507 ( 0.072 -2.291 1.568) 2.777 59.726 ( -13.547 9.302 -16.560) 23.330 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 6.463 0.937 -0.753) 6.574 3.268 ( 1.011 -14.404 -1.521) 14.519 4.490 ( 14.044 5.266 6.674) 16.417 5.464 ( -8.888 11.532 -13.409) 19.793 6.440 ( -15.028 -29.566 -2.152) 33.235 8.619 ( 23.317 -8.566 -15.006) 29.022 9.202 ( 3.645 7.462 22.346) 23.839 9.854 ( -9.322 -8.079 -12.550) 17.597 19.026 ( 0.205 -3.095 0.081) 3.103 19.200 ( -0.114 0.729 -0.634) 0.973 38.499 ( 0.246 -1.220 1.641) 2.059 59.537 ( -12.267 9.860 -15.184) 21.869 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 6.044 1.073 -1.491) 6.317 3.091 ( -3.993 -15.236 -0.124) 15.751 4.795 ( 14.331 3.558 2.877) 15.044 5.401 ( -6.252 12.127 -10.980) 17.514 5.877 ( -16.345 -29.707 -1.155) 33.926 8.673 ( 4.419 -16.436 -10.051) 19.765 9.478 ( 7.971 7.095 27.175) 29.196 9.670 ( 0.450 -0.763 -20.880) 20.898 18.986 ( -1.026 -3.148 0.100) 3.313 19.216 ( 0.948 1.051 -0.455) 1.487 38.504 ( 0.261 -0.183 1.761) 1.789 59.394 ( -8.614 8.138 -11.222) 16.321 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -0.000 -1.845 3.267) 3.752 2.445 ( -0.000 -2.698 0.770) 2.806 4.026 ( -0.000 3.388 10.614) 11.142 5.772 ( 0.000 1.935 -13.138) 13.280 7.023 ( 0.000 2.080 -6.737) 7.051 7.456 ( -0.000 -4.276 10.063) 10.933 9.015 ( 0.000 0.610 -13.513) 13.527 10.997 ( 0.000 -6.190 -3.534) 7.128 18.931 ( 0.000 -0.081 -0.286) 0.297 19.334 ( 0.000 -0.898 0.024) 0.899 38.555 ( -0.000 -3.282 2.615) 4.196 60.309 ( 0.000 1.643 -13.183) 13.285 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 1.964 -0.712 1.224) 2.421 2.519 ( 12.329 -4.978 0.253) 13.298 4.094 ( -1.263 2.695 13.193) 13.525 5.753 ( 1.679 2.409 -14.436) 14.731 7.055 ( 5.308 -0.022 -7.596) 9.267 7.467 ( 2.651 -6.679 9.487) 11.901 8.949 ( -0.347 -0.503 -14.237) 14.250 10.853 ( -4.921 -11.650 -4.065) 13.283 18.937 ( 1.087 -0.263 -0.318) 1.163 19.314 ( -0.843 -1.653 -0.026) 1.856 38.531 ( -0.099 -3.502 2.597) 4.361 60.247 ( -5.222 8.069 -18.828) 21.140 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 4.072 -0.531 -0.908) 4.206 2.728 ( 18.983 -7.581 -1.337) 20.485 4.145 ( -1.332 1.725 13.828) 13.999 5.742 ( -0.026 4.584 -16.260) 16.893 7.077 ( 2.291 -10.201 -1.476) 10.559 7.519 ( 10.671 -5.327 -1.211) 11.988 8.915 ( 3.022 0.838 -10.070) 10.547 10.585 ( -8.883 -15.849 -4.558) 18.732 18.957 ( 1.862 -0.600 -0.330) 1.984 19.276 ( -1.427 -2.033 -0.115) 2.487 38.509 ( -0.103 -3.074 3.057) 4.337 60.139 ( -9.829 13.071 -22.995) 28.218 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 6.046 -1.025 -2.727) 6.711 2.945 ( 17.429 -11.213 -2.793) 20.912 4.212 ( 2.106 1.199 12.237) 12.475 5.699 ( -3.675 7.687 -19.298) 21.095 6.862 ( -9.211 -22.646 4.661) 24.888 7.741 ( 23.422 -3.264 -14.346) 27.659 9.001 ( 7.587 2.823 -0.295) 8.100 10.233 ( -10.997 -17.880 -5.437) 21.684 18.980 ( 1.968 -1.277 -0.251) 2.360 19.232 ( -1.409 -1.742 -0.260) 2.256 38.496 ( -0.017 -2.107 3.807) 4.351 59.988 ( -13.197 15.873 -25.027) 32.442 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 7.691 -1.707 -4.074) 8.869 3.032 ( 9.184 -15.172 -2.410) 17.898 4.357 ( 9.144 1.050 7.956) 12.166 5.620 ( -5.666 10.459 -22.828) 25.741 6.419 ( -15.480 -28.782 5.615) 33.160 8.058 ( 26.384 -5.814 -19.906) 33.558 9.204 ( 10.031 3.291 11.333) 15.488 9.858 ( -9.867 -16.572 -7.904) 20.844 18.989 ( 1.000 -2.332 -0.046) 2.538 19.202 ( -0.376 -0.694 -0.421) 0.894 38.499 ( 0.059 -0.907 4.553) 4.642 59.808 ( -14.643 16.125 -24.425) 32.726 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 8.615 -2.456 -4.961) 10.240 2.955 ( 1.889 -16.667 -1.010) 16.804 4.584 ( 13.957 0.167 2.826) 14.241 5.536 ( -5.004 11.360 -26.433) 29.203 5.884 ( -17.118 -29.551 8.877) 35.286 8.284 ( 18.088 -10.848 -18.552) 28.089 9.474 ( 10.691 1.664 21.912) 24.437 9.563 ( -2.940 -10.063 -15.669) 18.853 18.968 ( -0.286 -2.841 0.124) 2.858 19.204 ( 0.937 0.166 -0.376) 1.023 38.516 ( -0.010 0.160 5.033) 5.035 59.622 ( -13.664 13.979 -21.023) 28.707 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 0.000 -1.203 -0.834) 1.464 2.358 ( 0.000 -6.891 0.413) 6.903 4.179 ( -0.000 0.773 14.583) 14.604 5.689 ( 0.000 1.496 -15.312) 15.385 6.980 ( 0.000 0.420 -11.542) 11.549 7.419 ( -0.000 -8.692 11.741) 14.608 8.863 ( 0.000 -3.128 -17.776) 18.049 10.738 ( 0.000 -17.095 -4.159) 17.593 18.924 ( 0.000 -0.370 -0.341) 0.503 19.302 ( 0.000 -2.394 -0.012) 2.394 38.511 ( -0.000 -3.359 3.515) 4.862 60.312 ( 0.000 14.565 -25.192) 29.099 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 2.354 -2.217 -3.692) 4.908 2.384 ( 11.561 -9.119 -0.136) 14.725 4.223 ( -0.948 -1.888 13.854) 14.015 5.672 ( 3.262 2.309 -16.577) 17.052 6.945 ( 2.300 -3.816 -11.226) 12.077 7.372 ( 0.461 -10.059 6.982) 12.253 8.786 ( 4.071 -3.088 -16.457) 17.232 10.498 ( -4.300 -21.396 -4.155) 22.216 18.926 ( 0.965 -0.572 -0.354) 1.176 19.270 ( -0.669 -2.812 0.013) 2.890 38.498 ( -0.046 -2.648 4.821) 5.500 60.319 ( -5.570 19.728 -30.261) 36.550 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 5.017 -3.657 -6.299) 8.844 2.530 ( 17.130 -11.742 -1.470) 20.820 4.231 ( 0.098 -4.526 11.358) 12.227 5.687 ( 2.445 5.025 -20.133) 20.894 6.822 ( -5.844 -16.800 2.937) 18.028 7.346 ( 10.190 -6.015 -14.488) 18.706 8.838 ( 10.634 -0.982 -7.646) 13.134 10.164 ( -7.193 -23.794 -4.219) 25.213 18.939 ( 1.503 -0.974 -0.306) 1.817 19.229 ( -0.902 -2.690 0.017) 2.837 38.499 ( -0.036 -1.543 6.189) 6.379 60.258 ( -10.821 22.620 -33.293) 41.679 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 7.745 -5.013 -8.171) 12.323 2.670 ( 14.887 -15.099 -2.515) 21.352 4.255 ( 4.899 -5.934 7.599) 10.815 5.668 ( -1.380 8.431 -26.751) 28.082 6.447 ( -15.618 -26.548 10.675) 32.599 7.500 ( 22.650 -4.391 -25.453) 34.353 9.043 ( 14.536 0.241 3.393) 14.928 9.787 ( -7.815 -23.576 -4.965) 25.329 18.950 ( 1.241 -1.673 -0.137) 2.087 19.195 ( -0.362 -1.889 -0.023) 1.924 38.517 ( -0.042 -0.353 7.256) 7.265 60.126 ( -14.826 22.706 -33.571) 43.155 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 9.976 -6.072 -8.913) 14.692 2.695 ( 8.521 -17.596 -2.722) 19.739 4.358 ( 11.722 -5.932 3.303) 13.547 5.580 ( -4.623 7.881 -33.703) 34.919 5.948 ( -16.965 -26.454 13.742) 34.299 7.754 ( 24.327 -6.218 -24.010) 34.741 9.326 ( 15.210 -2.296 13.877) 20.717 9.440 ( -4.605 -18.221 -9.587) 21.098 18.943 ( 0.308 -2.293 0.101) 2.316 19.186 ( 0.799 -0.828 -0.029) 1.151 38.547 ( -0.175 0.606 7.741) 7.767 59.937 ( -16.634 20.099 -30.631) 40.236 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 0.000 -4.535 -6.701) 8.091 2.188 ( 0.000 -10.982 0.023) 10.982 4.243 ( -0.000 -6.438 11.732) 13.383 5.588 ( 0.000 1.504 -16.358) 16.427 6.835 ( 0.000 -2.544 -19.684) 19.848 7.317 ( -0.000 -12.195 12.953) 17.791 8.626 ( 0.000 -5.019 -19.688) 20.318 10.289 ( 0.000 -25.746 -3.738) 26.016 18.911 ( 0.000 -0.622 -0.366) 0.722 19.246 ( 0.000 -3.279 0.209) 3.286 38.500 ( -0.000 -1.786 6.701) 6.935 60.449 ( 0.000 25.281 -36.467) 44.373 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 3.074 -6.925 -10.034) 12.573 2.168 ( 10.713 -13.012 -0.446) 16.860 4.196 ( 0.082 -11.208 7.974) 13.755 5.580 ( 4.484 2.833 -17.753) 18.528 6.724 ( 0.235 -7.292 -16.252) 17.814 7.194 ( -4.208 -12.424 2.875) 13.429 8.589 ( 10.101 -4.052 -13.986) 17.722 9.985 ( -3.325 -28.073 -3.198) 28.449 18.910 ( 0.788 -0.806 -0.333) 1.175 19.212 ( -0.388 -3.279 0.422) 3.329 38.518 ( -0.029 -0.696 8.317) 8.346 60.501 ( -6.370 28.633 -40.825) 50.270 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 6.593 -8.772 -12.409) 16.565 2.255 ( 15.362 -15.431 -1.845) 21.852 4.116 ( 3.225 -14.632 3.926) 15.489 5.619 ( 3.495 6.385 -23.063) 24.185 6.493 ( -11.634 -20.911 6.456) 24.785 7.067 ( 8.946 -5.714 -24.775) 26.953 8.762 ( 17.526 -3.098 -2.580) 17.983 9.630 ( -5.127 -27.523 -2.984) 28.155 18.916 ( 1.058 -1.195 -0.198) 1.609 19.179 ( -0.220 -2.695 0.569) 2.763 38.552 ( -0.090 0.334 9.325) 9.331 60.452 ( -12.537 28.902 -42.344) 52.778 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 10.266 -9.735 -13.250) 19.383 2.327 ( 13.030 -17.976 -3.518) 22.479 4.087 ( 10.192 -15.154 0.753) 18.278 5.590 ( -3.418 7.522 -30.854) 31.941 6.042 ( -17.089 -24.924 14.168) 33.376 7.198 ( 22.993 -3.364 -27.929) 36.332 9.031 ( 17.744 -11.187 7.386) 22.238 9.299 ( -3.021 -17.493 -5.244) 18.511 18.916 ( 0.629 -1.700 0.044) 1.813 19.163 ( 0.615 -1.663 0.604) 1.873 38.594 ( -0.261 1.061 9.505) 9.568 60.300 ( -17.084 25.922 -40.009) 50.641 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.000 -14.757 -0.265) 14.760 1.967 ( 0.000 -10.119 -13.425) 16.812 4.075 ( 0.000 -18.080 2.749) 18.288 5.490 ( 0.000 2.314 -16.394) 16.557 6.575 ( 0.000 -4.083 -26.881) 27.190 7.164 ( -0.000 -14.765 13.608) 20.080 8.371 ( 0.000 -6.054 -17.456) 18.476 9.722 ( 0.000 -29.588 -1.629) 29.633 18.895 ( 0.000 -0.776 -0.325) 0.841 19.185 ( -0.000 -3.424 0.898) 3.540 38.553 ( -0.000 0.231 9.823) 9.826 60.675 ( 0.000 32.804 -46.940) 57.267 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 4.049 -12.507 -16.151) 20.825 1.877 ( 10.070 -16.512 -1.022) 19.367 3.889 ( 2.404 -23.460 -2.276) 23.692 5.505 ( 5.633 4.444 -17.508) 18.921 6.427 ( -0.869 -8.149 -18.339) 20.087 6.952 ( -10.414 -13.809 0.313) 17.299 8.392 ( 16.550 -7.946 -10.338) 21.070 9.421 ( -2.456 -27.008 0.272) 27.120 18.891 ( 0.586 -0.905 -0.236) 1.103 19.157 ( -0.057 -3.056 1.309) 3.325 38.600 ( -0.088 0.996 10.465) 10.513 60.738 ( -7.572 33.858 -50.428) 61.210 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 9.022 -13.477 -17.720) 24.022 1.912 ( 13.690 -18.236 -2.379) 22.926 3.724 ( 9.011 -25.269 -5.134) 27.315 5.573 ( 2.384 8.063 -22.015) 23.566 6.144 ( -15.042 -21.404 9.749) 27.918 6.760 ( 9.471 -3.765 -26.600) 28.486 8.585 ( 19.985 -18.422 -0.861) 27.194 9.168 ( -1.153 -14.776 0.464) 14.828 18.892 ( 0.647 -1.196 -0.031) 1.360 19.139 ( 0.431 -2.191 1.479) 2.678 38.651 ( -0.281 1.427 10.146) 10.250 60.662 ( -14.653 30.901 -49.369) 60.057 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 -15.452 -19.331) 24.747 1.621 ( 0.000 -17.918 -0.228) 17.920 3.582 ( 0.000 -30.582 -8.102) 31.637 5.420 ( 0.000 4.071 -15.772) 16.289 6.286 ( 0.000 -2.996 -24.841) 25.021 6.973 ( -0.000 -16.516 13.699) 21.458 8.055 ( 0.000 -14.194 -18.510) 23.326 9.212 ( 0.000 -21.882 4.315) 22.304 18.877 ( 0.000 -0.792 -0.221) 0.822 19.135 ( -0.000 -2.954 2.044) 3.592 38.656 ( -0.000 1.461 10.561) 10.662 60.926 ( 0.000 36.283 -56.807) 67.405 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 5.535 -16.726 -20.743) 27.215 1.528 ( 9.529 -18.928 -0.661) 21.201 3.273 ( 6.304 -34.067 -10.919) 36.325 5.478 ( 7.623 6.730 -15.258) 18.336 6.154 ( -3.364 -7.187 -10.500) 13.161 6.676 ( -14.990 -13.766 -2.887) 20.556 8.021 ( 20.263 -22.734 -10.826) 32.321 9.061 ( 0.051 -11.813 5.430) 13.002 18.873 ( 0.397 -0.848 -0.102) 0.942 19.119 ( 0.252 -2.365 2.474) 3.432 38.711 ( -0.207 1.614 9.668) 9.804 60.960 ( -8.982 34.295 -58.584) 68.476 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.000 -18.209 -21.167) 27.921 1.253 ( 0.000 -20.240 0.290) 20.242 2.804 ( 0.000 -39.938 -13.612) 42.194 5.397 ( 0.000 6.615 -14.917) 16.318 6.094 ( 0.000 -0.744 -12.172) 12.195 6.755 ( -0.000 -17.466 13.414) 22.023 7.489 ( 0.000 -26.023 -22.172) 34.188 8.990 ( -0.000 -7.755 7.494) 10.784 18.862 ( 0.000 -0.680 -0.117) 0.690 19.107 ( -0.000 -2.144 3.276) 3.915 38.764 ( -0.000 1.567 8.222) 8.370 61.120 ( 0.000 34.233 -65.017) 73.478 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( -0.000 0.000 13.728) 13.728 0.331 ( -0.000 0.000 13.728) 13.728 1.779 ( -0.000 0.000 69.626) 69.626 5.545 ( 0.000 -0.000 -12.125) 12.125 5.545 ( 0.000 -0.000 -12.125) 12.125 6.241 ( -0.000 0.000 11.044) 11.044 6.241 ( -0.000 0.000 11.044) 11.044 9.586 ( -0.000 0.000 0.701) 0.701 18.834 ( 0.000 -0.000 -0.423) 0.423 18.834 ( 0.000 -0.000 -0.423) 0.423 38.817 ( 0.000 -0.000 -3.744) 3.744 66.306 ( -0.000 0.000 1.665) 1.665 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 15.056 8.693 9.011) 19.582 0.707 ( 22.180 12.806 12.430) 28.468 2.178 ( 11.164 6.445 61.016) 62.362 5.228 ( -10.715 -6.186 -12.049) 17.270 5.949 ( 22.853 13.194 -9.676) 28.107 6.185 ( 4.191 2.420 6.083) 7.773 6.580 ( 13.818 7.978 10.559) 19.133 9.465 ( -8.811 -5.087 7.077) 12.394 18.832 ( 0.122 0.071 -0.584) 0.601 18.883 ( 3.828 2.210 -2.777) 5.221 38.756 ( -3.352 -1.935 -4.360) 5.831 65.340 ( -72.822 -42.044 54.017) 99.943 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 16.523 9.540 6.007) 20.003 1.259 ( 21.381 12.345 17.888) 30.488 2.725 ( 17.979 10.380 44.254) 48.882 4.979 ( -7.487 -4.323 -10.735) 13.783 6.271 ( 7.022 4.054 12.016) 14.496 6.553 ( 26.931 15.549 -9.923) 32.642 6.929 ( 13.850 7.996 9.123) 18.412 9.337 ( -5.049 -2.915 9.124) 10.828 18.835 ( 0.336 0.194 -0.688) 0.790 18.958 ( 3.900 2.252 -3.480) 5.691 38.657 ( -3.425 -1.977 -5.823) 7.039 64.027 ( -66.776 -38.553 75.430) 107.866 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 16.066 9.276 4.380) 19.062 1.784 ( 18.487 10.673 20.904) 29.877 3.299 ( 20.167 11.643 27.066) 35.705 4.809 ( -4.320 -2.494 -8.968) 10.262 6.445 ( 2.494 1.440 20.711) 20.910 7.169 ( 31.381 18.118 -9.211) 37.388 7.262 ( 12.973 7.490 7.425) 16.719 9.318 ( 0.222 0.128 6.832) 6.837 18.842 ( 0.511 0.295 -0.708) 0.922 19.029 ( 3.580 2.067 -2.487) 4.824 38.566 ( -2.331 -1.346 -6.539) 7.071 62.971 ( -55.677 -32.145 68.465) 93.918 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 14.750 8.516 3.340) 17.356 2.233 ( 14.374 8.299 18.986) 25.218 3.824 ( 19.676 11.360 13.209) 26.280 4.711 ( -1.746 -1.008 -6.915) 7.203 6.540 ( -2.930 -1.692 27.735) 27.941 7.559 ( 11.338 6.546 5.588) 14.235 7.847 ( 32.695 18.876 -10.649) 39.226 9.391 ( 3.939 2.274 5.040) 6.789 18.852 ( 0.624 0.361 -0.631) 0.958 19.097 ( 3.264 1.885 -1.150) 3.941 38.504 ( -1.050 -0.606 -5.480) 5.612 62.076 ( -48.100 -27.771 56.043) 78.903 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 12.628 7.291 2.496) 14.794 2.567 ( 9.759 5.634 13.522) 17.602 4.275 ( 17.932 10.353 3.400) 20.983 4.670 ( 0.062 0.036 -4.496) 4.496 6.533 ( -8.287 -4.785 29.596) 31.105 7.806 ( 9.077 5.240 3.621) 11.089 8.496 ( 29.616 17.099 -16.072) 37.786 9.529 ( 6.337 3.659 7.576) 10.533 18.864 ( 0.659 0.380 -0.464) 0.891 19.163 ( 2.796 1.614 0.011) 3.228 38.477 ( 0.091 0.052 -2.830) 2.832 61.281 ( -41.679 -24.063 43.530) 64.893 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 9.621 5.555 1.583) 11.221 2.779 ( 5.781 3.338 7.045) 9.705 4.643 ( 15.092 8.713 -3.540) 17.783 4.673 ( 1.233 0.712 -1.571) 2.120 6.408 ( -13.080 -7.552 26.041) 30.104 7.988 ( 6.322 3.650 1.531) 7.459 8.975 ( 20.146 11.631 -26.620) 35.352 9.752 ( 9.817 5.668 16.459) 19.985 18.876 ( 0.606 0.350 -0.235) 0.739 19.219 ( 2.084 1.203 0.821) 2.543 38.484 ( 0.948 0.547 0.550) 1.225 60.584 ( -34.637 -19.998 31.823) 51.111 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 5.780 3.337 0.501) 6.693 2.888 ( 2.658 1.535 1.483) 3.409 4.710 ( 1.955 1.129 1.812) 2.894 4.910 ( 11.093 6.405 -9.135) 15.733 6.169 ( -16.503 -9.528 19.484) 27.254 8.096 ( 3.229 1.864 -0.636) 3.782 9.172 ( 9.061 5.231 -30.735) 32.467 10.073 ( 10.858 6.269 20.599) 24.114 18.888 ( 0.471 0.272 0.010) 0.544 19.260 ( 1.165 0.672 1.269) 1.849 38.520 ( 1.463 0.845 3.530) 3.914 60.012 ( -26.314 -15.192 21.278) 37.094 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 1.417 0.818 -0.612) 1.746 2.910 ( -0.576 -0.333 -2.876) 2.952 4.772 ( 2.287 1.320 5.294) 5.916 5.056 ( 6.201 3.580 -13.929) 15.662 5.854 ( -17.337 -10.010 14.159) 24.520 8.125 ( -0.032 -0.019 -2.795) 2.795 9.170 ( 2.101 1.213 -27.944) 28.049 10.343 ( 5.363 3.097 19.398) 20.363 18.897 ( 0.269 0.155 0.225) 0.384 19.280 ( 0.170 0.098 1.432) 1.446 38.573 ( 1.654 0.955 5.137) 5.480 59.599 ( -16.816 -9.709 12.453) 23.068 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -2.988 -1.725 -1.476) 3.752 2.829 ( -5.297 -3.058 -6.946) 9.255 4.850 ( 2.215 1.279 8.375) 8.757 5.070 ( 0.526 0.304 -16.602) 16.613 5.549 ( -14.234 -8.218 13.739) 21.422 8.072 ( -3.295 -1.902 -4.869) 6.179 9.057 ( -2.684 -1.549 -23.494) 23.697 10.446 ( -2.954 -1.705 17.214) 17.549 18.902 ( 0.028 0.016 0.374) 0.375 19.279 ( -0.730 -0.421 1.411) 1.643 38.631 ( 1.623 0.937 4.922) 5.267 59.374 ( -6.773 -3.910 6.093) 9.914 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -7.031 -4.059 -1.910) 8.341 2.609 ( -11.344 -6.550 -10.536) 16.811 4.927 ( -8.572 -4.949 -12.289) 15.780 4.935 ( 1.894 1.093 10.750) 10.970 5.384 ( -5.146 -2.971 15.600) 16.693 7.940 ( -6.420 -3.706 -6.821) 10.073 8.869 ( -6.465 -3.732 -18.704) 20.138 10.350 ( -11.281 -6.513 14.209) 19.276 18.901 ( -0.214 -0.124 0.442) 0.506 19.261 ( -1.389 -0.802 1.261) 2.040 38.682 ( 1.523 0.879 3.073) 3.540 59.349 ( 2.864 1.654 3.035) 4.489 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -10.529 -6.079 -1.932) 12.310 2.254 ( -16.247 -9.380 -10.605) 21.550 4.596 ( -17.704 -10.221 -5.523) 21.176 5.022 ( 1.730 0.999 12.433) 12.593 5.444 ( 3.269 1.887 20.720) 21.061 7.734 ( -9.295 -5.366 -8.659) 13.790 8.621 ( -10.089 -5.825 -13.563) 17.880 10.074 ( -17.465 -10.084 9.723) 22.389 18.896 ( -0.421 -0.243 0.434) 0.652 19.230 ( -1.733 -1.001 0.951) 2.216 38.722 ( 1.470 0.848 0.192) 1.708 59.521 ( 11.075 6.394 4.319) 13.498 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -18.548 -10.708 -4.862) 21.962 1.959 ( -13.451 -7.766 -1.658) 15.621 4.109 ( -24.868 -14.357 -0.578) 28.720 5.117 ( 2.199 1.270 13.614) 13.848 5.663 ( 6.854 3.957 27.705) 28.814 7.460 ( -11.813 -6.820 -10.401) 17.154 8.307 ( -14.667 -8.468 -6.444) 18.121 9.682 ( -19.354 -11.174 2.821) 22.526 18.886 ( -0.561 -0.324 0.368) 0.745 19.193 ( -1.790 -1.034 0.324) 2.092 38.749 ( 1.472 0.850 -3.050) 3.492 59.868 ( 17.199 9.930 11.765) 23.083 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -18.411 -10.630 6.491) 22.228 1.627 ( -15.806 -9.126 -1.156) 18.288 3.498 ( -30.732 -17.743 5.163) 35.860 5.236 ( 3.575 2.064 14.439) 15.017 5.932 ( 6.082 3.511 28.194) 29.055 7.129 ( -13.832 -7.986 -12.020) 19.989 7.916 ( -20.116 -11.614 5.559) 23.884 9.278 ( -15.571 -8.990 -5.790) 18.889 18.874 ( -0.618 -0.357 0.259) 0.760 19.153 ( -1.708 -0.986 -0.926) 2.178 38.763 ( 1.442 0.833 -6.104) 6.327 60.381 ( 21.841 12.610 29.337) 38.687 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -0.000 14.646 9.967) 17.716 0.815 ( -0.000 26.415 12.788) 29.348 2.423 ( -0.000 10.325 59.645) 60.532 5.391 ( 0.000 8.978 -14.722) 17.244 5.760 ( 0.000 17.145 -11.848) 20.840 6.073 ( -0.000 -12.007 10.643) 16.045 6.750 ( -0.000 27.950 9.170) 29.416 9.470 ( -0.000 -11.571 6.567) 13.305 18.837 ( 0.000 0.465 -0.344) 0.579 18.867 ( 0.000 3.545 -2.350) 4.254 38.737 ( 0.000 -4.185 -4.460) 6.116 65.529 ( -0.000 -71.396 40.125) 81.899 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 13.198 14.691 7.415) 21.095 1.214 ( 10.690 22.981 15.974) 29.959 2.819 ( 7.329 12.362 48.090) 50.192 5.214 ( -18.817 13.499 -12.781) 26.451 6.113 ( 11.648 -7.987 13.505) 19.541 6.172 ( 25.179 14.917 -14.246) 32.550 7.083 ( 1.560 30.319 7.807) 31.346 9.368 ( -2.015 -10.041 9.373) 13.883 18.837 ( -0.245 0.776 -0.521) 0.966 18.917 ( 2.562 3.355 -2.803) 5.067 38.655 ( -2.182 -4.243 -4.828) 6.788 64.691 ( -37.084 -63.801 57.513) 93.561 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 13.149 15.583 5.484) 21.114 1.697 ( 15.193 15.889 19.280) 29.241 3.265 ( 12.003 12.026 31.971) 36.205 5.008 ( -16.092 14.452 -10.292) 23.952 6.321 ( 15.268 -8.570 15.019) 23.068 6.711 ( 27.378 13.195 -8.594) 31.583 7.438 ( 2.067 31.938 4.694) 32.347 9.315 ( 0.591 -5.643 8.724) 10.407 18.841 ( 0.000 0.971 -0.621) 1.152 18.985 ( 3.175 2.920 -2.367) 4.920 38.561 ( -2.145 -3.078 -4.841) 6.125 63.690 ( -44.432 -50.591 61.092) 90.917 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 11.288 16.166 4.324) 20.185 2.151 ( 14.425 9.799 19.153) 25.902 3.692 ( 14.856 9.770 16.200) 24.053 4.877 ( -12.459 15.299 -7.492) 21.105 6.529 ( 10.038 -8.975 21.000) 24.946 7.249 ( 26.991 8.045 -3.671) 28.403 7.811 ( 5.313 32.828 -2.600) 33.357 9.351 ( 3.976 -1.256 6.485) 7.710 18.850 ( 0.161 1.156 -0.595) 1.310 19.058 ( 3.284 2.490 -1.344) 4.335 38.493 ( -1.098 -1.716 -3.588) 4.126 62.748 ( -43.876 -41.242 54.649) 81.318 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 9.034 15.756 3.391) 18.476 2.503 ( 10.739 4.963 15.283) 19.327 4.075 ( 16.666 6.811 3.788) 18.398 4.822 ( -9.666 16.329 -4.467) 19.494 6.629 ( 1.608 -10.651 25.449) 27.635 7.693 ( 17.207 7.449 1.171) 18.787 8.235 ( 14.784 27.076 -14.711) 34.178 9.474 ( 6.958 2.444 6.854) 10.068 18.863 ( 0.212 1.317 -0.463) 1.412 19.129 ( 3.102 1.980 -0.253) 3.689 38.464 ( 0.116 -0.580 -0.985) 1.149 61.877 ( -41.121 -34.458 44.884) 69.949 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 6.227 14.469 2.330) 15.923 2.727 ( 6.826 1.322 9.272) 11.589 4.405 ( 16.664 4.169 -4.360) 17.722 4.827 ( -7.616 16.907 -1.750) 18.626 6.578 ( -6.424 -12.620 24.842) 28.595 7.978 ( 6.462 10.676 1.710) 12.597 8.651 ( 18.666 15.121 -25.785) 35.241 9.693 ( 10.310 5.501 12.210) 16.901 18.878 ( 0.155 1.423 -0.258) 1.454 19.194 ( 2.622 1.338 0.625) 3.009 38.476 ( 1.082 0.167 2.204) 2.461 61.086 ( -36.661 -28.474 34.514) 57.845 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 2.703 12.477 0.998) 12.806 2.842 ( 4.067 -1.102 3.387) 5.406 4.667 ( 13.301 3.292 -7.876) 15.805 4.872 ( -5.076 15.075 -1.248) 15.955 6.382 ( -12.627 -13.442 20.518) 27.589 8.139 ( -0.018 11.480 -0.554) 11.494 8.905 ( 13.688 5.562 -30.149) 33.574 10.007 ( 12.588 5.806 16.797) 21.779 18.893 ( 0.002 1.447 -0.026) 1.447 19.245 ( 1.867 0.595 1.196) 2.296 38.517 ( 1.639 0.494 4.836) 5.130 60.401 ( -30.281 -22.412 24.746) 45.073 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -1.391 9.707 -0.521) 9.820 2.877 ( 1.719 -2.307 -1.232) 3.130 4.847 ( 5.933 6.066 -4.385) 9.551 4.923 ( -0.593 7.843 -6.950) 10.496 6.092 ( -16.037 -11.399 17.405) 26.269 8.196 ( -4.255 9.493 -3.591) 11.005 8.990 ( 7.397 0.728 -27.086) 28.087 10.312 ( 9.910 2.249 17.140) 19.926 18.905 ( -0.222 1.376 0.184) 1.406 19.276 ( 0.944 -0.160 1.478) 1.762 38.573 ( 1.790 0.482 5.926) 6.209 59.861 ( -22.025 -16.069 16.501) 31.868 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -5.283 5.811 -1.944) 8.091 2.839 ( -2.440 -2.316 -5.045) 6.064 4.926 ( -1.603 3.257 -4.918) 6.113 4.955 ( 3.645 3.101 -7.617) 8.995 5.811 ( -16.285 -4.702 20.139) 26.323 8.151 ( -7.025 4.929 -6.711) 10.895 8.964 ( 1.710 -0.685 -21.368) 21.447 10.488 ( 3.113 -2.904 15.691) 16.258 18.913 ( -0.479 1.214 0.334) 1.347 19.285 ( 0.010 -0.817 1.537) 1.741 38.629 ( 1.670 0.302 5.059) 5.336 59.503 ( -12.357 -9.666 10.687) 18.982 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -8.396 0.915 -3.331) 9.079 2.697 ( -9.385 -1.520 -7.785) 12.288 4.879 ( 1.113 -3.623 -16.568) 16.996 4.981 ( -1.976 0.014 7.911) 8.154 5.657 ( -13.802 5.968 26.843) 30.767 8.003 ( -8.466 -1.949 -9.408) 12.805 8.871 ( -3.687 0.647 -15.842) 16.279 10.476 ( -5.393 -8.027 13.360) 16.492 18.915 ( -0.727 0.980 0.410) 1.288 19.275 ( -0.784 -1.281 1.418) 2.065 38.673 ( 1.479 0.147 2.506) 2.914 59.356 ( -2.104 -3.664 8.203) 9.228 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -11.793 -5.554 -6.037) 14.365 2.454 ( -15.504 1.433 -5.048) 16.368 4.708 ( -9.193 -6.699 -12.903) 17.201 5.015 ( 3.332 -3.065 14.537) 15.226 5.682 ( -9.131 13.155 32.024) 35.805 7.758 ( -8.759 -10.298 -11.326) 17.636 8.731 ( -9.063 4.094 -11.413) 15.138 10.267 ( -13.436 -12.286 10.065) 20.803 18.911 ( -0.921 0.705 0.415) 1.232 19.248 ( -1.338 -1.502 1.099) 2.292 38.701 ( 1.376 0.144 -1.000) 1.707 59.430 ( 7.740 1.412 10.003) 12.726 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -16.399 -7.186 -2.836) 18.128 2.182 ( -17.471 1.164 -1.650) 17.588 4.353 ( -19.007 -9.896 -5.010) 22.007 5.138 ( 4.831 0.332 16.045) 16.760 5.842 ( -3.955 12.987 36.310) 38.765 7.427 ( -8.207 -18.875 -12.285) 23.970 8.556 ( -14.881 8.577 -7.059) 18.570 9.892 ( -18.770 -15.027 5.332) 24.629 18.901 ( -1.029 0.418 0.361) 1.168 19.212 ( -1.651 -1.481 0.471) 2.267 38.715 ( 1.389 0.297 -4.650) 4.862 59.719 ( 16.429 5.182 17.397) 24.483 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -18.061 -5.746 7.951) 20.553 1.874 ( -19.396 -0.443 -0.465) 19.407 3.859 ( -26.822 -11.654 2.306) 29.335 5.298 ( 3.162 5.509 15.864) 17.088 6.061 ( -0.900 8.164 34.940) 35.892 7.035 ( -6.898 -25.709 -10.897) 28.762 8.336 ( -22.046 11.635 0.310) 24.929 9.434 ( -18.502 -14.564 -1.400) 23.588 18.888 ( -1.033 0.150 0.256) 1.075 19.169 ( -1.837 -1.273 -0.655) 2.329 38.717 ( 1.438 0.497 -7.774) 7.921 60.218 ( 24.250 7.652 32.589) 41.336 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.000 17.779 7.388) 19.253 1.438 ( -0.000 24.494 17.646) 30.188 3.069 ( -0.000 12.825 41.627) 43.558 5.582 ( 0.000 21.501 -14.470) 25.917 5.929 ( 0.000 -0.376 -6.593) 6.604 6.032 ( -0.000 9.624 5.263) 10.969 7.418 ( -0.000 33.988 7.038) 34.709 9.316 ( -0.000 -11.115 11.240) 15.808 18.847 ( 0.000 0.780 -0.200) 0.806 18.920 ( 0.000 4.137 -2.765) 4.976 38.608 ( 0.000 -5.022 -4.380) 6.664 64.551 ( -0.000 -69.044 53.295) 87.221 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 10.928 17.270 6.212) 21.360 1.780 ( 5.477 19.747 19.888) 28.556 3.372 ( 4.406 11.547 29.083) 31.600 5.471 ( -21.415 22.473 -13.273) 33.761 6.032 ( 12.956 -6.830 9.091) 17.238 6.416 ( 22.394 16.915 -7.488) 29.047 7.774 ( -0.336 34.779 5.386) 35.195 9.274 ( 0.902 -7.723 11.047) 13.509 18.852 ( -0.192 1.098 -0.300) 1.154 18.966 ( 1.790 3.944 -2.296) 4.902 38.536 ( -1.032 -4.092 -3.493) 5.478 63.932 ( -21.835 -61.459 53.429) 84.313 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 12.739 17.818 5.057) 22.480 2.137 ( 8.508 12.504 20.124) 25.174 3.658 ( 7.546 8.563 14.656) 18.576 5.305 ( -18.829 23.506 -9.936) 31.714 6.269 ( 16.857 -7.706 13.636) 23.010 6.919 ( 23.083 13.847 -6.333) 27.653 8.107 ( -0.969 33.315 1.525) 33.364 9.299 ( 3.406 -2.344 8.363) 9.330 18.861 ( -0.041 1.471 -0.394) 1.523 19.030 ( 2.519 3.407 -1.459) 4.481 38.477 ( -0.737 -2.471 -1.664) 3.069 63.142 ( -31.344 -52.098 49.797) 78.590 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 9.796 19.074 4.209) 21.852 2.447 ( 8.836 5.369 17.266) 20.125 3.909 ( 11.041 5.080 2.008) 12.318 5.218 ( -15.437 24.259 -6.238) 29.423 6.500 ( 11.597 -9.598 18.893) 24.157 7.400 ( 23.597 10.420 -5.682) 26.413 8.382 ( -0.859 28.413 -6.360) 29.129 9.415 ( 6.293 3.620 6.877) 10.000 18.875 ( 0.055 1.819 -0.370) 1.857 19.100 ( 2.745 2.679 -0.508) 3.869 38.454 ( 0.161 -0.983 1.087) 1.474 62.315 ( -34.596 -43.906 42.771) 70.385 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 5.657 19.278 3.372) 20.371 2.662 ( 6.609 0.208 11.711) 13.449 4.150 ( 14.706 2.440 -6.289) 16.180 5.196 ( -13.010 23.797 -3.649) 27.365 6.592 ( 1.462 -11.644 21.837) 24.790 7.849 ( 20.908 9.603 -5.140) 23.575 8.566 ( 0.899 19.758 -17.526) 26.426 9.633 ( 9.037 7.839 9.304) 15.155 18.894 ( 0.006 2.116 -0.254) 2.131 19.166 ( 2.611 1.767 0.338) 3.171 38.471 ( 1.034 -0.035 4.087) 4.216 61.508 ( -34.177 -36.522 34.224) 60.607 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 1.543 18.138 1.874) 18.300 2.771 ( 4.113 -2.739 5.693) 7.538 4.392 ( 16.292 0.896 -10.597) 19.456 5.197 ( -11.598 20.951 -2.872) 24.119 6.511 ( -7.682 -11.284 21.231) 25.241 8.212 ( 10.636 13.010 -2.960) 17.063 8.658 ( 5.201 8.653 -26.759) 28.600 9.924 ( 11.150 7.216 12.674) 18.358 18.913 ( -0.187 2.313 -0.089) 2.323 19.221 ( 2.167 0.742 0.956) 2.482 38.516 ( 1.554 0.280 6.311) 6.506 60.768 ( -30.837 -29.326 25.624) 49.674 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -1.450 7.081 -2.834) 7.764 2.828 ( 1.338 5.033 3.809) 6.452 4.608 ( 14.550 -0.338 -13.640) 19.947 5.173 ( -10.478 14.232 -3.285) 17.976 6.329 ( -13.507 -5.332 21.459) 25.911 8.389 ( -4.978 15.440 -5.025) 16.983 8.724 ( 11.540 0.080 -25.957) 28.406 10.216 ( 11.001 2.399 14.147) 18.080 18.930 ( -0.489 2.367 0.079) 2.418 19.259 ( 1.490 -0.272 1.317) 2.007 38.573 ( 1.656 0.099 6.879) 7.077 60.141 ( -24.871 -22.108 18.153) 37.906 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -2.205 -1.190 -5.054) 5.641 2.899 ( -4.300 10.634 0.886) 11.505 4.736 ( 9.204 -2.130 -17.912) 20.251 5.100 ( -7.289 4.291 -0.431) 8.469 6.176 ( -15.891 6.359 25.449) 30.669 8.319 ( -10.081 5.873 -12.796) 17.317 8.822 ( 7.239 3.497 -16.097) 17.993 10.424 ( 7.332 -3.769 13.721) 16.007 18.942 ( -0.843 2.249 0.214) 2.411 19.276 ( 0.700 -1.131 1.448) 1.966 38.624 ( 1.468 -0.293 5.471) 5.672 59.677 ( -16.679 -15.046 12.865) 25.886 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -5.409 -2.815 -6.622) 9.002 2.881 ( -9.820 9.811 -1.484) 13.960 4.728 ( 3.579 -3.951 -18.781) 19.523 5.038 ( -2.555 -2.944 7.183) 8.172 6.136 ( -16.077 16.862 29.990) 37.976 8.090 ( -10.809 -4.778 -15.210) 19.261 8.883 ( 0.079 7.678 -10.703) 13.173 10.482 ( 0.654 -9.426 12.016) 15.286 18.947 ( -1.179 1.962 0.299) 2.308 19.273 ( -0.071 -1.712 1.381) 2.201 38.658 ( 1.213 -0.585 2.436) 2.783 59.412 ( -6.934 -8.568 10.688) 15.354 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -9.589 -3.573 -6.346) 12.041 2.748 ( -15.396 8.339 -2.241) 17.652 4.658 ( 0.529 -4.498 -15.647) 16.290 5.017 ( -0.146 -5.205 17.225) 17.995 6.193 ( -15.027 21.552 33.125) 42.279 7.754 ( -11.154 -14.045 -15.122) 23.459 8.888 ( -5.554 10.898 -8.019) 14.626 10.356 ( -7.489 -13.874 9.439) 18.376 18.943 ( -1.433 1.528 0.329) 2.121 19.253 ( -0.723 -1.942 1.119) 2.355 38.673 ( 1.078 -0.581 -1.427) 1.880 59.373 ( 3.475 -3.181 12.439) 13.301 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -13.450 -2.924 -1.822) 13.885 2.523 ( -19.026 6.373 -0.864) 20.084 4.486 ( -9.414 -5.793 -10.694) 15.380 5.110 ( 5.710 -2.576 24.150) 24.949 6.304 ( -13.055 20.699 34.530) 42.323 7.336 ( -11.107 -21.352 -13.632) 27.661 8.848 ( -9.905 13.992 -6.284) 18.259 10.048 ( -15.180 -16.976 6.256) 23.617 18.931 ( -1.556 1.000 0.301) 1.874 19.222 ( -1.225 -1.809 0.610) 2.268 38.673 ( 1.111 -0.281 -5.245) 5.369 59.568 ( 13.721 0.685 18.926) 23.386 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -15.687 -1.089 7.308) 17.340 2.238 ( -21.213 4.304 0.870) 21.662 4.158 ( -19.085 -6.315 -3.159) 20.349 5.323 ( 7.517 2.010 24.400) 25.610 6.394 ( -11.275 9.279 25.085) 29.025 6.902 ( -9.990 -19.642 -3.392) 22.296 8.775 ( -14.504 16.486 -3.769) 22.279 9.598 ( -19.496 -18.181 2.601) 26.784 18.913 ( -1.527 0.447 0.207) 1.604 19.184 ( -1.639 -1.371 -0.236) 2.149 38.664 ( 1.229 0.146 -8.333) 8.425 59.995 ( 23.563 2.764 31.056) 39.081 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.000 17.279 5.888) 18.255 2.008 ( -0.000 17.473 21.758) 27.906 3.545 ( -0.000 9.959 20.009) 22.351 5.853 ( 0.000 -2.532 -2.166) 3.332 5.933 ( 0.000 25.147 -11.823) 27.788 6.309 ( -0.000 15.089 0.848) 15.113 8.135 ( -0.000 34.371 4.579) 34.675 9.245 ( -0.000 -5.272 11.309) 12.477 18.863 ( -0.000 0.985 -0.097) 0.990 18.984 ( 0.000 4.626 -2.090) 5.076 38.494 ( 0.000 -3.690 -1.853) 4.129 63.711 ( -0.000 -62.113 48.825) 79.006 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 10.666 16.423 5.045) 20.222 2.262 ( 2.222 11.979 22.345) 25.451 3.705 ( 2.200 7.209 8.358) 11.255 5.771 ( -11.886 15.450 -12.981) 23.420 6.060 ( 4.294 6.219 7.749) 10.824 6.684 ( 19.355 15.256 -3.415) 24.880 8.449 ( -1.604 29.877 1.857) 29.978 9.280 ( 1.918 1.629 8.739) 9.094 18.873 ( 0.084 1.218 -0.155) 1.231 19.032 ( 1.137 4.474 -1.484) 4.849 38.459 ( -0.218 -2.320 0.462) 2.375 63.190 ( -15.010 -57.029 44.505) 73.880 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 14.479 16.365 3.993) 22.212 2.480 ( 3.097 5.740 20.543) 21.554 3.825 ( 4.553 4.066 -2.360) 6.544 5.681 ( -14.144 21.556 -10.515) 27.844 6.284 ( 12.435 -0.311 13.325) 18.228 7.122 ( 19.560 11.466 -4.412) 23.098 8.650 ( -3.209 21.283 -4.796) 22.052 9.421 ( 3.773 11.136 6.801) 13.583 18.889 ( 0.292 1.625 -0.221) 1.666 19.091 ( 1.660 3.761 -0.714) 4.173 38.451 ( 0.228 -0.854 3.290) 3.407 62.514 ( -23.673 -50.045 38.678) 67.535 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 12.124 16.711 2.438) 20.789 2.636 ( 2.832 0.839 16.586) 16.847 3.934 ( 8.929 1.340 -9.414) 13.043 5.627 ( -13.059 21.238 -8.006) 26.185 6.515 ( 7.685 -2.567 18.341) 20.051 7.534 ( 21.716 8.658 -7.068) 24.423 8.723 ( -3.887 14.706 -13.462) 20.313 9.655 ( 4.746 15.414 7.489) 17.782 18.911 ( 0.355 2.087 -0.216) 2.128 19.150 ( 1.817 2.662 0.034) 3.223 38.476 ( 0.841 0.078 5.990) 6.049 61.779 ( -27.643 -42.540 31.547) 59.741 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 4.475 -1.760 4.725) 6.741 2.790 ( 3.669 16.625 6.931) 18.382 4.085 ( 14.171 -0.820 -12.379) 18.834 5.569 ( -12.269 16.245 -8.145) 21.926 6.620 ( -2.566 -0.646 22.103) 22.261 7.958 ( 23.452 7.888 -10.244) 26.780 8.707 ( -4.929 10.898 -18.610) 22.122 9.913 ( 5.705 12.436 9.122) 16.444 18.938 ( 0.176 2.526 -0.155) 2.537 19.201 ( 1.716 1.320 0.636) 2.257 38.524 ( 1.232 0.260 7.698) 7.801 61.053 ( -27.902 -34.795 24.077) 50.684 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 2.248 -4.670 1.502) 5.396 3.007 ( -0.930 17.779 3.180) 18.085 4.278 ( 16.440 -2.070 -13.632) 21.457 5.445 ( -12.006 6.953 -9.418) 16.769 6.632 ( -10.192 7.700 24.880) 27.967 8.354 ( 20.561 5.654 -14.465) 25.768 8.623 ( -7.311 9.418 -17.005) 20.769 10.145 ( 6.742 5.289 10.609) 13.637 18.963 ( -0.234 2.846 -0.065) 2.856 19.236 ( 1.424 -0.069 1.031) 1.759 38.578 ( 1.266 -0.159 7.729) 7.833 60.395 ( -24.928 -26.957 17.388) 40.626 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 0.781 -4.010 -2.605) 4.846 3.127 ( -5.131 15.700 2.264) 16.671 4.455 ( 13.633 -2.385 -15.698) 20.928 5.243 ( -10.195 -1.804 -6.424) 12.184 6.657 ( -14.024 17.824 27.818) 35.892 8.395 ( -4.009 -5.761 -22.492) 23.562 8.723 ( 7.741 16.145 -8.029) 19.623 10.314 ( 6.677 -3.090 11.198) 13.399 18.982 ( -0.795 2.942 0.033) 3.047 19.255 ( 1.006 -1.273 1.206) 2.022 38.620 ( 1.038 -0.804 5.903) 6.047 59.863 ( -19.095 -19.348 12.550) 29.941 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -2.006 -2.755 -4.982) 6.036 3.157 ( -9.037 13.288 1.258) 16.119 4.537 ( 6.967 -2.221 -17.862) 19.301 5.071 ( -4.200 -5.815 4.084) 8.255 6.730 ( -15.922 24.319 30.216) 41.928 8.115 ( -9.159 -11.192 -19.135) 23.985 8.935 ( 2.930 15.598 -8.648) 18.074 10.386 ( 4.084 -10.362 10.425) 15.255 18.992 ( -1.380 2.721 0.126) 3.053 19.256 ( 0.524 -2.065 1.182) 2.436 38.643 ( 0.763 -1.265 2.636) 3.022 59.504 ( -10.919 -12.454 10.481) 19.601 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -6.002 -1.312 -4.995) 7.918 3.085 ( -13.845 10.658 0.126) 17.472 4.527 ( 3.166 -1.953 -14.592) 15.058 5.029 ( 0.621 -5.673 15.153) 16.192 6.827 ( -16.952 26.171 31.011) 43.977 7.731 ( -11.615 -17.301 -15.804) 26.153 9.053 ( -2.478 15.559 -7.917) 17.633 10.325 ( -1.425 -15.327 8.424) 17.548 18.989 ( -1.843 2.144 0.199) 2.834 19.243 ( 0.011 -2.287 0.984) 2.490 38.644 ( 0.631 -1.284 -1.268) 1.912 59.355 ( -1.129 -6.816 11.879) 13.742 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -9.780 0.461 -1.468) 9.900 2.905 ( -18.125 7.644 0.448) 19.676 4.483 ( -1.163 -1.627 -11.325) 11.501 5.105 ( 4.160 -3.351 25.564) 26.116 6.884 ( -17.107 17.032 22.185) 32.786 7.303 ( -13.079 -15.031 -4.561) 20.440 9.098 ( -6.139 15.639 -6.892) 18.159 10.108 ( -8.886 -17.977 5.851) 20.890 18.974 ( -2.071 1.291 0.218) 2.450 19.222 ( -0.530 -1.934 0.629) 2.102 38.632 ( 0.698 -0.861 -4.966) 5.088 59.435 ( 9.456 -2.911 17.218) 19.858 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -12.281 2.444 5.452) 13.657 2.643 ( -20.775 4.580 1.905) 21.359 4.341 ( -9.981 -0.930 -7.170) 12.325 5.310 ( 8.168 -0.196 30.928) 31.989 6.588 ( -15.147 -21.926 -10.632) 28.692 7.150 ( -14.878 16.446 28.075) 35.778 9.103 ( -8.552 16.261 -6.079) 19.352 9.737 ( -16.298 -18.900 3.826) 25.248 18.948 ( -2.033 0.383 0.143) 2.074 19.194 ( -1.110 -1.185 0.108) 1.627 38.613 ( 0.873 -0.225 -7.837) 7.889 59.752 ( 20.204 -1.110 26.718) 33.515 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -0.000 15.205 4.571) 15.877 2.436 ( -0.000 7.295 23.964) 25.049 3.768 ( -0.000 5.467 -0.361) 5.479 5.800 ( 0.000 0.365 -5.954) 5.965 6.329 ( 0.000 23.422 -7.474) 24.586 6.614 ( -0.000 14.148 4.695) 14.906 8.709 ( -0.000 19.164 -0.436) 19.169 9.363 ( -0.000 13.435 6.850) 15.080 18.881 ( -0.000 1.035 -0.107) 1.040 19.064 ( 0.000 4.963 -1.211) 5.109 38.449 ( -0.000 -1.365 2.935) 3.237 62.932 ( -0.000 -56.279 39.358) 68.676 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 10.904 13.904 3.772) 18.068 2.582 ( 0.676 1.756 23.278) 23.354 3.801 ( 0.810 3.722 -8.245) 9.082 5.828 ( 3.780 3.408 -9.683) 10.939 6.392 ( -8.141 19.175 3.615) 21.143 6.938 ( 14.859 11.985 0.952) 19.114 8.814 ( -1.379 9.374 -6.443) 11.458 9.581 ( 0.547 23.666 5.272) 24.252 18.895 ( 0.428 1.158 -0.165) 1.245 19.111 ( 0.521 4.660 -0.712) 4.743 38.459 ( 0.194 -0.245 5.527) 5.536 62.459 ( -11.300 -51.849 33.695) 62.860 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 15.342 12.077 2.547) 19.691 2.684 ( 1.544 -1.515 20.034) 20.150 3.811 ( 2.635 2.238 -12.866) 13.323 5.861 ( -1.482 6.753 -12.028) 13.873 6.536 ( 1.638 14.608 12.362) 19.206 7.281 ( 15.546 7.569 -1.823) 17.387 8.820 ( -1.966 7.153 -13.844) 15.706 9.840 ( -0.278 24.237 4.996) 24.748 18.917 ( 0.858 1.477 -0.208) 1.721 19.161 ( 0.638 3.741 -0.155) 3.798 38.494 ( 0.555 0.404 7.673) 7.704 61.860 ( -18.590 -45.390 27.289) 56.129 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 5.847 -1.490 5.260) 8.005 2.856 ( 9.359 10.420 10.811) 17.693 3.844 ( 6.838 0.107 -13.979) 15.563 5.797 ( -7.119 5.195 -12.707) 15.464 6.775 ( 1.682 13.394 19.168) 23.444 7.614 ( 19.769 5.467 -6.803) 21.610 8.782 ( -2.699 6.908 -18.490) 19.922 10.061 ( -1.117 19.153 5.452) 19.945 18.949 ( 1.026 1.925 -0.218) 2.192 19.201 ( 0.553 2.368 0.346) 2.456 38.543 ( 0.782 0.302 8.712) 8.752 61.212 ( -22.172 -37.839 20.612) 48.459 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 2.235 -5.843 3.792) 7.315 3.165 ( 5.372 16.189 5.788) 18.012 3.941 ( 13.218 -2.702 -13.479) 19.071 5.621 ( -10.679 0.344 -13.357) 17.105 6.985 ( -4.368 17.008 24.447) 30.100 7.979 ( 21.883 3.430 -11.884) 25.137 8.720 ( -3.075 6.928 -18.617) 20.101 10.210 ( -1.233 10.893 6.341) 12.665 18.985 ( 0.798 2.441 -0.206) 2.577 19.226 ( 0.419 0.719 0.716) 1.098 38.590 ( 0.739 -0.409 8.190) 8.233 60.583 ( -22.338 -29.815 14.528) 39.987 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 1.804 -4.541 0.181) 4.889 3.359 ( -2.608 15.472 4.279) 16.263 4.116 ( 16.731 -2.842 -13.023) 21.392 5.362 ( -11.695 -3.516 -10.798) 16.301 7.168 ( -8.981 22.475 27.892) 36.929 8.196 ( 8.603 -6.112 -17.423) 20.369 8.739 ( 4.915 12.872 -14.099) 19.714 10.280 ( -0.420 0.959 7.382) 7.456 19.018 ( 0.132 2.922 -0.174) 2.931 19.234 ( 0.371 -0.959 0.913) 1.375 38.622 ( 0.492 -1.306 6.091) 6.249 60.032 ( -19.341 -21.909 9.995) 30.887 ======================= Grid point 698 (266/489) ======================= q-point: (-0.29 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 0.571 -2.171 -2.145) 3.105 3.424 ( -6.951 12.043 3.332) 14.299 4.302 ( 12.659 0.121 -13.707) 18.659 5.119 ( -7.968 -5.304 -1.816) 9.742 7.343 ( -12.572 26.672 29.720) 41.865 8.029 ( -4.935 -14.638 -17.291) 23.186 8.967 ( 8.483 16.636 -12.841) 22.663 10.276 ( 0.762 -8.846 8.028) 11.970 19.041 ( -0.897 3.116 -0.098) 3.244 19.229 ( 0.490 -2.268 0.916) 2.494 38.630 ( 0.229 -1.916 2.870) 3.459 59.615 ( -13.518 -14.751 7.871) 21.501 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -2.228 0.335 -2.811) 3.603 3.390 ( -10.500 8.308 2.354) 13.595 4.410 ( 5.109 3.190 -13.357) 14.652 5.018 ( 0.033 -5.213 11.084) 12.249 7.463 ( -16.620 19.866 17.848) 31.455 7.696 ( -9.223 -12.354 -2.159) 15.568 9.177 ( 2.857 17.165 -12.760) 21.578 10.200 ( 0.705 -16.147 7.521) 17.827 19.045 ( -1.963 2.559 0.033) 3.225 19.218 ( 0.625 -2.606 0.743) 2.781 38.618 ( 0.126 -1.948 -0.734) 2.086 59.375 ( -5.382 -8.960 8.772) 13.645 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -5.660 2.674 -1.060) 6.349 3.249 ( -14.732 4.439 1.655) 15.475 4.448 ( 0.966 4.508 -9.477) 10.539 5.094 ( 5.195 -2.892 21.237) 22.053 7.111 ( -15.505 -21.636 -14.040) 30.094 7.680 ( -15.686 22.835 31.190) 41.717 9.289 ( -2.358 16.072 -11.306) 19.792 10.045 ( -2.514 -19.093 5.641) 20.067 19.025 ( -2.529 1.188 0.128) 2.797 19.207 ( 0.376 -1.809 0.501) 1.914 38.595 ( 0.231 -1.411 -3.990) 4.239 59.342 ( 4.371 -5.050 13.006) 14.620 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -8.380 4.603 3.315) 10.119 3.006 ( -17.986 0.777 1.970) 18.110 4.443 ( -4.017 5.523 -6.579) 9.483 5.295 ( 8.346 -0.315 28.982) 30.161 6.545 ( -16.185 -28.118 -13.825) 35.266 7.746 ( -17.657 22.242 29.465) 40.923 9.331 ( -4.896 14.459 -9.041) 17.742 9.789 ( -9.129 -18.035 3.634) 20.538 18.988 ( -2.492 -0.156 0.077) 2.498 19.198 ( -0.295 -0.656 0.283) 0.773 38.569 ( 0.442 -0.582 -6.401) 6.443 59.530 ( 14.973 -3.405 20.498) 25.612 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -0.000 12.247 3.429) 12.718 2.662 ( -0.000 -4.051 23.593) 23.938 3.789 ( 0.000 3.778 -12.790) 13.336 5.767 ( 0.000 2.739 -9.998) 10.366 6.682 ( 0.000 17.171 -3.815) 17.590 6.920 ( -0.000 11.825 8.549) 14.592 8.852 ( 0.000 4.833 -10.432) 11.497 9.857 ( -0.000 28.707 3.430) 28.912 18.899 ( 0.000 0.944 -0.214) 0.968 19.152 ( -0.000 4.806 -0.481) 4.830 38.485 ( -0.000 0.414 7.529) 7.540 62.185 ( -0.000 -49.748 28.119) 57.145 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 10.667 10.412 2.675) 15.144 2.698 ( 1.101 -8.100 20.745) 22.297 3.771 ( -0.086 4.016 -13.931) 14.499 5.798 ( 4.559 3.011 -12.117) 13.292 6.762 ( -3.766 15.343 2.223) 15.954 7.153 ( 9.058 7.801 5.633) 13.215 8.840 ( -0.929 5.528 -15.300) 16.295 10.128 ( -1.649 27.077 2.347) 27.229 18.914 ( 0.738 0.974 -0.271) 1.252 19.195 ( -0.020 4.246 -0.146) 4.248 38.526 ( 0.240 0.625 8.866) 8.891 61.752 ( -8.877 -44.772 22.039) 50.686 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 8.919 2.074 3.659) 9.861 2.772 ( 10.055 -2.190 13.747) 17.173 3.756 ( 0.294 3.675 -12.040) 12.592 5.820 ( 0.345 1.538 -14.169) 14.257 6.933 ( 4.286 15.428 7.969) 17.886 7.389 ( 10.936 4.042 2.577) 11.940 8.804 ( -2.095 6.392 -18.592) 19.771 10.326 ( -4.096 21.907 1.863) 22.364 18.941 ( 1.427 1.157 -0.301) 1.862 19.228 ( -0.340 3.161 0.188) 3.185 38.572 ( 0.349 0.158 9.120) 9.128 61.229 ( -14.827 -37.942 15.803) 43.694 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 2.201 -6.641 5.376) 8.823 3.117 ( 18.269 8.345 6.355) 21.066 3.754 ( 1.706 1.713 -9.675) 9.973 5.708 ( -6.974 -0.506 -15.239) 16.766 7.237 ( 6.175 16.968 16.164) 24.234 7.638 ( 16.163 1.697 -3.437) 16.611 8.742 ( -2.919 5.745 -19.635) 20.665 10.422 ( -6.397 14.477 1.840) 15.934 18.980 ( 1.823 1.455 -0.315) 2.354 19.244 ( -0.766 1.719 0.451) 1.935 38.610 ( 0.243 -0.830 8.089) 8.135 60.678 ( -17.719 -30.153 10.071) 36.395 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 2.301 -5.086 2.696) 6.200 3.502 ( 9.423 13.336 7.110) 17.811 3.783 ( 9.298 -3.101 -10.310) 14.226 5.480 ( -11.226 -1.496 -13.801) 17.853 7.558 ( 0.991 19.375 25.135) 31.751 7.891 ( 15.248 -3.175 -10.440) 18.751 8.693 ( 1.659 6.479 -18.998) 20.141 10.408 ( -7.801 5.630 2.246) 9.879 19.025 ( 1.770 1.867 -0.325) 2.593 19.239 ( -1.109 0.072 0.604) 1.265 38.627 ( -0.012 -1.900 5.907) 6.205 60.160 ( -17.560 -22.248 5.657) 28.902 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 2.332 -2.008 0.692) 3.155 3.639 ( -5.383 7.882 4.222) 10.437 4.005 ( 19.034 2.145 -7.439) 20.548 5.227 ( -11.147 -1.483 -8.131) 13.877 7.831 ( -0.355 6.690 21.538) 22.556 7.901 ( -4.485 2.948 -5.209) 7.479 8.838 ( 14.084 10.347 -17.922) 25.032 10.295 ( -7.723 -3.790 3.071) 9.135 19.069 ( 1.080 2.444 -0.314) 2.690 19.215 ( -1.076 -1.671 0.638) 2.088 38.621 ( -0.253 -2.569 3.024) 3.976 59.729 ( -14.464 -15.031 3.333) 21.125 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 1.048 1.003 -0.352) 1.493 3.596 ( -6.759 2.180 2.481) 7.523 4.290 ( 11.530 8.120 -6.885) 15.694 5.051 ( -5.527 -1.653 2.271) 6.200 7.557 ( -10.023 -20.968 -12.742) 26.504 8.105 ( -8.715 25.133 31.529) 41.252 9.125 ( 14.066 12.366 -18.793) 26.532 10.115 ( -5.833 -12.657 4.384) 14.610 19.098 ( -0.921 2.892 -0.210) 3.042 19.183 ( 0.153 -3.066 0.527) 3.115 38.597 ( -0.329 -2.545 0.049) 2.566 59.431 ( -8.697 -9.221 3.666) 13.195 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -1.498 3.517 -0.257) 3.832 3.472 ( -9.578 -1.971 1.741) 9.933 4.470 ( 2.420 11.564 -7.092) 13.779 5.058 ( 4.173 -1.487 13.834) 14.526 7.071 ( -14.694 -25.969 -11.668) 32.038 8.289 ( -13.315 23.811 31.333) 41.545 9.351 ( 6.879 13.862 -19.948) 25.247 9.911 ( -2.692 -18.634 6.234) 19.833 19.080 ( -2.925 0.444 0.050) 2.959 19.179 ( 1.411 -1.230 0.256) 1.889 38.565 ( -0.208 -1.864 -2.467) 3.099 59.301 ( -0.728 -5.370 6.905) 8.777 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -4.205 5.372 1.529) 6.992 3.252 ( -13.160 -5.317 1.234) 14.247 4.557 ( -2.460 12.212 -4.609) 13.283 5.246 ( 9.766 0.158 21.081) 23.234 6.494 ( -16.895 -29.322 -10.072) 35.308 8.357 ( -17.498 18.729 26.617) 36.952 9.458 ( 0.130 13.276 -18.402) 22.691 9.727 ( -2.187 -17.138 7.658) 18.898 19.026 ( -2.775 -1.277 0.019) 3.055 19.194 ( 0.629 0.286 0.279) 0.745 38.537 ( 0.005 -0.849 -4.193) 4.279 59.364 ( 8.767 -3.839 12.901) 16.063 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -0.000 8.792 2.612) 9.172 2.666 ( -0.000 -12.345 18.185) 21.979 3.766 ( 0.000 5.150 -11.533) 12.631 5.739 ( 0.000 4.130 -13.353) 13.977 6.898 ( 0.000 8.366 -4.024) 9.283 7.196 ( -0.000 8.342 11.232) 13.991 8.844 ( 0.000 7.278 -16.949) 18.446 10.404 ( -0.000 25.230 0.451) 25.234 18.914 ( 0.000 0.763 -0.339) 0.835 19.236 ( -0.000 3.996 -0.012) 3.996 38.567 ( -0.000 0.405 9.300) 9.309 61.487 ( -0.000 -41.097 16.192) 44.172 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 8.213 5.239 2.440) 10.042 2.636 ( 4.474 -11.164 13.618) 18.169 3.773 ( -0.852 5.548 -6.995) 8.969 5.751 ( 2.554 3.476 -14.902) 15.514 6.972 ( 3.966 6.966 -3.855) 8.895 7.348 ( 4.013 5.457 11.413) 13.272 8.836 ( -1.868 8.438 -17.857) 19.838 10.600 ( -3.202 20.558 -0.784) 20.821 18.927 ( 0.965 0.725 -0.377) 1.264 19.267 ( -0.446 3.186 0.154) 3.220 38.605 ( 0.063 -0.382 8.816) 8.824 61.110 ( -7.103 -35.146 10.174) 37.272 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 1.955 -6.666 6.298) 9.377 2.844 ( 19.772 1.415 4.410) 20.307 3.785 ( -1.980 5.433 -2.104) 6.154 5.725 ( -2.095 1.861 -16.097) 16.339 7.175 ( 14.415 7.424 -4.259) 16.765 7.522 ( 5.751 3.420 13.200) 14.799 8.792 ( -4.200 7.824 -17.857) 19.943 10.678 ( -6.918 14.089 -1.528) 15.770 18.956 ( 1.845 0.766 -0.395) 2.037 19.281 ( -1.100 2.032 0.281) 2.328 38.629 ( -0.077 -1.536 7.441) 7.598 60.675 ( -11.921 -27.852 4.572) 30.639 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 2.405 -5.446 4.793) 7.643 3.247 ( 23.918 2.192 0.230) 24.019 3.792 ( -3.488 5.542 2.587) 7.041 5.586 ( -8.234 1.596 -15.669) 17.773 7.527 ( 20.945 4.227 -7.530) 22.656 7.712 ( 6.465 3.553 18.097) 19.543 8.713 ( -4.788 7.365 -16.832) 18.986 10.627 ( -10.293 6.677 -1.892) 12.414 18.999 ( 2.449 0.830 -0.403) 2.617 19.271 ( -1.797 0.746 0.327) 1.973 38.632 ( -0.335 -2.624 5.422) 6.033 60.232 ( -14.187 -20.193 0.096) 24.679 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 3.313 -2.201 3.042) 5.007 3.619 ( 17.853 -3.473 -6.930) 19.463 3.833 ( 0.725 10.409 10.008) 14.458 5.381 ( -11.166 2.622 -12.888) 17.253 7.678 ( 4.267 -12.385 -3.329) 13.516 8.068 ( 15.646 13.346 15.114) 25.521 8.688 ( 1.809 8.989 -14.904) 17.499 10.455 ( -12.580 -0.828 -1.999) 12.765 19.049 ( 2.698 0.860 -0.382) 2.857 19.239 ( -2.406 -0.449 0.284) 2.464 38.613 ( -0.565 -3.195 3.156) 4.526 59.831 ( -13.779 -13.115 -2.552) 19.193 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 3.367 0.715 1.695) 3.837 3.657 ( -0.573 -4.778 -2.051) 5.231 4.142 ( 14.461 10.629 4.561) 18.518 5.187 ( -10.035 3.666 -7.616) 13.120 7.461 ( -7.536 -21.329 -4.987) 23.164 8.498 ( 6.421 18.673 23.748) 30.884 8.841 ( 14.936 6.556 -18.969) 25.018 10.189 ( -13.018 -7.498 -1.920) 15.145 19.100 ( 2.644 0.686 -0.280) 2.746 19.187 ( -2.878 -1.224 0.164) 3.132 38.581 ( -0.641 -3.004 1.067) 3.252 59.514 ( -10.704 -7.430 -2.825) 13.333 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 2.168 2.954 0.689) 3.728 3.550 ( -4.888 -7.012 0.036) 8.547 4.475 ( 10.316 11.965 0.503) 15.806 5.084 ( -3.625 3.418 0.259) 4.989 7.021 ( -14.029 -26.747 -5.251) 30.656 8.793 ( -6.516 19.654 28.933) 35.579 9.116 ( 20.420 4.243 -22.512) 30.688 9.888 ( -10.318 -11.648 -0.915) 15.587 19.119 ( -1.807 -3.304 0.170) 3.770 19.150 ( 1.001 2.158 -0.226) 2.390 38.546 ( -0.541 -2.132 -0.521) 2.260 59.320 ( -5.151 -3.729 -0.465) 6.376 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 0.083 4.635 0.392) 4.653 3.358 ( -8.478 -9.877 0.398) 13.023 4.695 ( 1.380 14.423 -2.763) 14.750 5.160 ( 7.502 1.683 8.860) 11.731 6.466 ( -17.178 -29.721 -3.661) 34.523 8.865 ( -14.026 8.443 20.208) 26.007 9.369 ( 12.007 8.413 -21.149) 25.734 9.672 ( -3.189 -8.870 6.482) 11.440 19.051 ( -2.494 -2.807 -0.005) 3.755 19.188 ( 1.161 1.464 0.119) 1.872 38.520 ( -0.370 -0.935 -1.461) 1.773 59.275 ( 2.443 -2.345 4.406) 5.557 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -0.000 5.011 2.123) 5.442 2.531 ( -0.000 -12.905 11.916) 17.566 3.820 ( 0.000 6.047 -1.368) 6.200 5.705 ( 0.000 4.476 -15.798) 16.420 6.954 ( 0.000 3.120 -7.139) 7.791 7.413 ( -0.000 4.031 12.597) 13.226 8.870 ( 0.000 9.232 -17.043) 19.383 10.802 ( -0.000 16.490 -2.512) 16.680 18.923 ( 0.000 0.535 -0.419) 0.680 19.300 ( -0.000 2.590 0.169) 2.596 38.631 ( -0.000 -1.336 7.854) 7.966 60.883 ( 0.000 -29.966 4.246) 30.265 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 0.438 -6.216 6.878) 9.281 2.583 ( 12.845 -1.201 4.368) 13.620 3.874 ( -1.300 6.171 3.811) 7.368 5.693 ( 0.784 3.834 -16.687) 17.140 7.007 ( 7.333 3.203 -8.632) 11.771 7.524 ( 3.654 1.618 13.457) 14.038 8.864 ( -2.763 8.140 -16.296) 18.424 10.886 ( -4.324 10.744 -3.570) 12.120 18.935 ( 1.095 0.440 -0.437) 1.258 19.316 ( -0.734 1.634 0.168) 1.799 38.640 ( -0.150 -2.470 6.440) 6.899 60.582 ( -5.784 -23.233 -1.394) 23.983 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 1.930 -5.479 6.360) 8.614 2.877 ( 20.650 -0.476 0.921) 20.676 3.925 ( -2.638 6.247 7.989) 10.478 5.644 ( -3.247 3.614 -16.875) 17.561 7.201 ( 16.495 2.628 -9.739) 19.335 7.667 ( 6.553 -1.354 13.844) 15.377 8.810 ( -4.508 7.279 -14.266) 16.639 10.833 ( -8.809 4.271 -4.170) 10.641 18.964 ( 2.058 0.341 -0.445) 2.133 19.308 ( -1.558 0.566 0.115) 1.662 38.630 ( -0.413 -3.381 4.871) 5.944 60.245 ( -9.785 -15.950 -6.082) 19.676 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 3.501 -2.652 4.628) 6.381 3.225 ( 21.990 -2.817 -2.525) 22.313 3.980 ( -2.344 6.980 11.196) 13.400 5.521 ( -7.845 4.725 -16.211) 18.619 7.441 ( 12.379 -6.030 -4.374) 14.447 7.851 ( 15.276 -1.132 4.051) 15.845 8.776 ( -2.564 9.254 -7.367) 12.103 10.645 ( -12.641 -1.987 -4.548) 13.581 19.005 ( 2.721 0.133 -0.427) 2.757 19.277 ( -2.303 -0.340 0.006) 2.328 38.603 ( -0.651 -3.689 3.441) 5.087 59.912 ( -11.683 -9.141 -9.149) 17.429 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 4.572 -0.369 2.835) 5.393 3.473 ( 13.277 -6.839 -4.490) 15.595 4.111 ( 4.714 8.669 11.600) 15.230 5.361 ( -9.664 6.286 -14.795) 18.756 7.362 ( -4.835 -19.594 1.987) 20.280 8.219 ( 27.900 1.932 -12.328) 30.564 8.869 ( 1.508 12.080 6.301) 13.708 10.348 ( -15.083 -7.059 -5.087) 17.413 19.050 ( 2.932 -0.443 -0.319) 2.982 19.228 ( -2.760 -0.663 -0.151) 2.843 38.569 ( -0.756 -3.228 2.359) 4.069 59.618 ( -11.254 -3.691 -10.040) 15.526 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 4.778 1.203 1.114) 5.051 3.495 ( 1.794 -9.797 -2.116) 10.182 4.385 ( 12.222 8.564 7.081) 16.519 5.221 ( -7.929 7.526 -12.436) 16.558 6.986 ( -13.293 -26.505 2.119) 29.727 8.632 ( 27.383 -0.646 -23.096) 35.828 9.089 ( 2.840 13.427 21.950) 25.888 9.987 ( -14.897 -9.670 -6.552) 18.931 19.080 ( 1.748 -2.322 -0.048) 2.906 19.182 ( -1.906 0.655 -0.336) 2.043 38.539 ( -0.718 -2.134 1.709) 2.826 59.396 ( -8.402 -0.227 -8.442) 11.912 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -0.000 -8.655 9.410) 12.785 2.468 ( -0.000 0.977 1.830) 2.075 3.971 ( -0.000 6.280 8.623) 10.668 5.653 ( 0.000 3.991 -17.334) 17.787 6.935 ( 0.000 2.783 -10.838) 11.190 7.550 ( -0.000 -0.593 13.029) 13.042 8.892 ( 0.000 6.086 -15.914) 17.038 10.986 ( 0.000 5.594 -4.666) 7.285 18.927 ( 0.000 0.270 -0.452) 0.526 19.335 ( -0.000 0.831 0.062) 0.833 38.637 ( -0.000 -3.390 5.379) 6.358 60.417 ( 0.000 -16.996 -7.218) 18.466 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 0.708 -5.464 7.375) 9.205 2.588 ( 12.640 -1.892 1.918) 12.924 4.060 ( -1.548 5.962 11.981) 13.472 5.628 ( 0.586 3.748 -17.668) 18.070 6.977 ( 7.825 2.759 -13.228) 15.615 7.613 ( 3.157 -3.510 12.861) 13.700 8.859 ( -1.658 3.965 -14.849) 15.458 10.951 ( -4.942 -0.301 -5.170) 7.158 18.937 ( 1.132 0.122 -0.460) 1.227 19.331 ( -0.871 -0.098 -0.064) 0.879 38.619 ( -0.269 -3.957 4.532) 6.022 60.205 ( -4.899 -10.100 -12.243) 16.610 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 2.855 -3.426 5.291) 6.920 2.838 ( 19.295 -4.092 0.076) 19.724 4.131 ( -2.501 5.367 13.493) 14.735 5.584 ( -2.393 4.516 -18.107) 18.815 7.135 ( 14.857 -0.174 -12.913) 19.685 7.668 ( 4.473 -7.752 7.769) 11.852 8.827 ( 0.412 4.331 -9.759) 10.685 10.777 ( -9.578 -5.929 -5.343) 12.467 18.962 ( 2.066 -0.109 -0.454) 2.118 19.304 ( -1.679 -0.885 -0.204) 1.908 38.592 ( -0.529 -3.892 4.052) 5.643 59.969 ( -8.479 -3.589 -15.804) 18.290 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 4.697 -2.146 2.929) 5.937 3.111 ( 19.078 -7.049 -2.177) 20.454 4.202 ( -0.722 5.027 13.024) 13.979 5.486 ( -6.076 6.013 -19.434) 21.231 7.240 ( 2.809 -13.655 1.585) 14.031 7.743 ( 17.828 -4.650 -14.323) 23.337 8.913 ( 5.941 6.603 0.992) 8.938 10.484 ( -13.158 -10.317 -5.441) 17.583 18.997 ( 2.575 -0.578 -0.384) 2.667 19.260 ( -2.181 -1.216 -0.336) 2.520 38.563 ( -0.686 -3.122 3.929) 5.066 59.734 ( -10.346 1.592 -17.307) 20.227 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 6.094 -1.446 0.586) 6.291 3.275 ( 11.248 -10.915 -2.657) 15.897 4.333 ( 5.684 4.944 9.746) 12.318 5.355 ( -7.031 7.504 -20.878) 23.274 6.970 ( -11.989 -25.130 8.268) 29.045 8.043 ( 28.554 -2.375 -26.158) 38.797 9.145 ( 9.929 7.502 11.841) 17.177 10.113 ( -14.956 -12.407 -5.914) 20.313 19.027 ( 2.183 -1.634 -0.200) 2.734 19.213 ( -1.861 -0.630 -0.419) 2.009 38.543 ( -0.732 -1.838 4.032) 4.491 59.523 ( -10.154 4.777 -16.358) 19.837 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -0.000 -5.488 7.615) 9.387 2.460 ( -0.000 -3.228 1.582) 3.594 4.181 ( -0.000 4.974 14.614) 15.437 5.578 ( 0.000 3.090 -17.966) 18.230 6.879 ( 0.000 2.871 -17.843) 18.073 7.601 ( -0.000 -5.002 13.005) 13.933 8.827 ( 0.000 0.269 -15.363) 15.365 10.941 ( 0.000 -5.819 -5.517) 8.019 18.926 ( 0.000 -0.027 -0.465) 0.466 19.333 ( 0.000 -0.911 -0.225) 0.938 38.601 ( -0.000 -4.104 4.587) 6.155 60.119 ( 0.000 -3.521 -17.725) 18.071 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 1.397 -4.689 5.064) 7.042 2.529 ( 11.763 -5.717 1.456) 13.159 4.267 ( -1.663 3.217 15.200) 15.626 5.549 ( 1.361 3.142 -18.294) 18.612 6.882 ( 7.498 1.606 -22.115) 23.407 7.596 ( 0.040 -8.438 11.450) 14.224 8.773 ( 2.070 -1.124 -12.558) 12.777 10.795 ( -4.939 -11.176 -5.518) 13.407 18.932 ( 1.088 -0.216 -0.464) 1.203 19.312 ( -0.854 -1.608 -0.354) 1.855 38.580 ( -0.280 -3.660 5.029) 6.226 59.997 ( -4.475 2.751 -21.853) 22.476 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 3.825 -4.577 2.087) 6.319 2.720 ( 17.696 -8.224 -0.028) 19.513 4.314 ( -2.033 1.199 13.794) 13.995 5.513 ( -1.103 4.305 -20.722) 21.193 6.975 ( 13.357 -3.186 -18.978) 23.425 7.504 ( -1.369 -12.921 1.901) 13.132 8.818 ( 8.402 0.853 -4.440) 9.541 10.526 ( -9.025 -15.405 -5.285) 18.619 18.952 ( 1.889 -0.547 -0.420) 2.011 19.273 ( -1.466 -1.940 -0.428) 2.469 38.565 ( -0.490 -2.643 5.664) 6.269 59.849 ( -8.054 7.723 -23.984) 26.453 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 6.172 -4.821 -0.814) 7.874 2.918 ( 16.623 -11.452 -1.635) 20.252 4.352 ( 0.747 -0.236 10.851) 10.879 5.421 ( -4.368 5.934 -25.472) 26.517 6.947 ( -5.671 -20.162 6.894) 22.049 7.475 ( 19.608 -5.446 -26.002) 33.019 9.026 ( 13.643 2.900 4.463) 14.645 10.171 ( -11.524 -17.674 -4.893) 21.659 18.977 ( 2.055 -1.199 -0.284) 2.396 19.228 ( -1.483 -1.630 -0.426) 2.245 38.560 ( -0.621 -1.274 6.203) 6.363 59.688 ( -10.204 10.663 -23.603) 27.838 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -0.000 -6.335 4.005) 7.495 2.369 ( 0.000 -7.479 1.295) 7.590 4.360 ( -0.000 -0.048 15.167) 15.167 5.484 ( 0.000 2.268 -17.738) 17.882 6.730 ( 0.000 1.462 -30.428) 30.463 7.572 ( -0.000 -8.819 12.829) 15.568 8.665 ( 0.000 -4.930 -12.182) 13.141 10.681 ( 0.000 -16.418 -5.468) 17.305 18.919 ( 0.000 -0.328 -0.466) 0.570 19.299 ( 0.000 -2.225 -0.423) 2.265 38.573 ( -0.000 -2.940 6.219) 6.879 59.992 ( 0.000 8.885 -26.629) 28.072 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 2.000 -7.567 0.637) 7.852 2.390 ( 11.002 -9.858 1.147) 14.817 4.386 ( -1.260 -3.968 13.145) 13.789 5.454 ( 1.808 2.666 -18.790) 19.064 6.665 ( 7.707 -0.049 -34.872) 35.714 7.479 ( -5.712 -12.779 10.461) 17.475 8.635 ( 7.871 -4.456 -6.585) 11.188 10.443 ( -4.316 -20.603 -5.151) 21.671 18.921 ( 0.981 -0.525 -0.438) 1.195 19.268 ( -0.701 -2.531 -0.398) 2.656 38.575 ( -0.244 -1.823 7.307) 7.535 59.951 ( -4.512 13.776 -29.444) 32.819 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 5.082 -8.748 -2.682) 10.466 2.520 ( 16.078 -12.443 -0.297) 20.333 4.360 ( -0.299 -7.447 10.171) 12.609 5.414 ( -1.024 4.645 -24.454) 24.912 6.709 ( 13.716 -5.053 -26.116) 29.929 7.225 ( -7.971 -16.752 1.326) 18.599 8.799 ( 15.618 -1.296 1.128) 15.712 10.112 ( -7.339 -23.042 -4.553) 24.607 18.935 ( 1.562 -0.904 -0.335) 1.836 19.228 ( -0.984 -2.345 -0.290) 2.559 38.589 ( -0.442 -0.531 7.933) 7.963 59.869 ( -8.445 16.588 -29.629) 34.991 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 0.000 -10.743 -1.295) 10.820 2.194 ( 0.000 -11.587 1.011) 11.631 4.376 ( -0.000 -10.214 10.299) 14.505 5.383 ( 0.000 1.979 -16.832) 16.948 6.447 ( 0.000 0.845 -43.103) 43.112 7.474 ( -0.000 -11.895 12.595) 17.324 8.468 ( 0.000 -7.927 -5.103) 9.427 10.239 ( 0.000 -24.552 -4.668) 24.992 18.906 ( 0.000 -0.573 -0.430) 0.717 19.246 ( 0.000 -2.821 -0.238) 2.831 38.597 ( -0.000 -0.789 8.509) 8.546 60.020 ( 0.000 18.707 -33.002) 37.935 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 2.827 -12.905 -4.516) 13.962 2.169 ( 10.225 -13.840 0.555) 17.216 4.282 ( 0.365 -16.079 6.394) 17.308 5.356 ( 1.657 3.395 -18.786) 19.162 6.345 ( 8.371 0.463 -41.921) 42.751 7.284 ( -12.499 -16.192 10.718) 23.093 8.506 ( 14.393 -6.469 -0.088) 15.780 9.945 ( -3.497 -26.441 -3.625) 26.917 18.906 ( 0.826 -0.741 -0.363) 1.167 19.215 ( -0.456 -2.700 0.002) 2.739 38.628 ( -0.235 0.268 8.924) 8.931 60.038 ( -4.926 21.558 -33.830) 40.417 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 -16.631 -6.425) 17.829 1.943 ( 0.000 -15.277 0.897) 15.304 4.098 ( 0.000 -23.972 1.252) 24.005 5.294 ( 0.000 2.558 -15.599) 15.807 6.124 ( 0.000 3.558 -43.131) 43.278 7.323 ( -0.000 -14.260 12.308) 18.837 8.265 ( 0.000 -11.916 -0.954) 11.954 9.706 ( 0.000 -26.657 -1.361) 26.692 18.891 ( 0.000 -0.708 -0.348) 0.788 19.193 ( 0.000 -2.660 0.371) 2.686 38.673 ( -0.000 0.984 8.919) 8.973 60.163 ( 0.000 24.554 -35.287) 42.989 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -0.000 0.000 13.618) 13.618 0.497 ( -0.000 0.000 13.618) 13.618 2.586 ( -0.000 0.000 63.181) 63.181 5.395 ( 0.000 -0.000 -12.418) 12.418 5.395 ( 0.000 -0.000 -12.418) 12.418 6.373 ( -0.000 0.000 10.679) 10.679 6.373 ( -0.000 0.000 10.679) 10.679 9.593 ( -0.000 0.000 0.291) 0.291 18.828 ( 0.000 -0.000 -0.539) 0.539 18.828 ( 0.000 -0.000 -0.539) 0.539 38.765 ( 0.000 -0.000 -4.705) 4.705 66.329 ( -0.000 0.000 2.161) 2.161 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 12.628 7.291 9.858) 17.601 0.863 ( 23.234 13.414 13.110) 29.860 2.893 ( 5.312 3.067 56.140) 56.474 5.088 ( -10.166 -5.869 -10.931) 16.040 5.798 ( 25.892 14.949 -14.128) 33.068 6.295 ( 0.944 0.545 10.787) 10.842 6.700 ( 13.272 7.663 9.017) 17.781 9.524 ( -5.359 -3.094 3.092) 6.918 18.825 ( 0.073 0.042 -0.679) 0.684 18.861 ( 2.714 1.567 -1.280) 3.385 38.702 ( -3.467 -2.002 -4.420) 5.963 65.779 ( -46.122 -26.628 23.770) 58.321 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 15.157 8.751 6.699) 18.740 1.461 ( 23.991 13.851 15.596) 31.791 3.255 ( 8.990 5.190 42.083) 43.345 4.859 ( -6.794 -3.923 -8.910) 11.872 6.360 ( 27.368 15.801 -9.770) 33.078 6.465 ( 10.680 6.166 7.950) 14.672 7.028 ( 13.245 7.647 7.089) 16.857 9.426 ( -4.355 -2.514 5.241) 7.263 18.826 ( 0.325 0.188 -0.729) 0.820 18.927 ( 3.681 2.125 -1.785) 4.610 38.599 ( -3.916 -2.261 -3.602) 5.781 64.740 ( -56.791 -32.788 44.541) 79.273 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 15.236 8.797 4.832) 18.245 2.016 ( 19.434 11.220 17.496) 28.455 3.620 ( 11.480 6.628 25.183) 28.458 4.714 ( -3.571 -2.062 -6.610) 7.791 6.690 ( 6.566 3.791 19.987) 21.377 7.006 ( 32.317 18.658 -17.301) 41.132 7.339 ( 12.361 7.136 5.064) 15.145 9.390 ( -0.448 -0.258 3.982) 4.015 18.833 ( 0.543 0.313 -0.668) 0.916 19.006 ( 3.914 2.260 -1.364) 4.721 38.514 ( -2.543 -1.468 -2.011) 3.559 63.681 ( -55.262 -31.906 48.744) 80.299 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 14.156 8.173 3.557) 16.729 2.447 ( 12.929 7.465 16.371) 22.156 3.965 ( 13.293 7.675 9.692) 18.154 4.644 ( -0.916 -0.529 -4.016) 4.153 6.857 ( -0.273 -0.158 24.736) 24.738 7.612 ( 10.717 6.187 2.974) 12.727 7.655 ( 32.273 18.633 -20.321) 42.447 9.446 ( 4.493 2.594 2.765) 5.879 18.845 ( 0.693 0.400 -0.502) 0.945 19.087 ( 3.750 2.165 -0.517) 4.361 38.474 ( -0.767 -0.443 0.652) 1.100 62.686 ( -51.236 -29.581 44.074) 73.774 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 12.093 6.982 2.413) 14.171 2.721 ( 6.764 3.905 11.994) 14.313 4.286 ( 14.017 8.093 -1.937) 16.301 4.636 ( 1.043 0.602 -0.984) 1.555 6.861 ( -8.403 -4.851 24.335) 26.198 7.833 ( 8.435 4.870 0.827) 9.775 8.233 ( 27.200 15.704 -25.659) 40.557 9.622 ( 9.934 5.735 6.265) 13.070 18.859 ( 0.751 0.434 -0.264) 0.907 19.165 ( 3.224 1.861 0.332) 3.738 38.483 ( 0.638 0.368 3.805) 3.875 61.767 ( -46.021 -26.570 36.091) 64.238 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 9.062 5.232 1.162) 10.528 2.857 ( 2.633 1.520 6.020) 6.744 4.561 ( 12.703 7.334 -9.993) 17.749 4.678 ( 2.370 1.369 2.517) 3.719 6.685 ( -14.976 -8.647 19.056) 25.733 7.990 ( 5.665 3.271 -1.341) 6.678 8.627 ( 18.161 10.485 -28.902) 35.709 9.930 ( 13.799 7.967 12.130) 20.025 18.875 ( 0.704 0.406 -0.002) 0.812 19.230 ( 2.372 1.369 0.984) 2.910 38.527 ( 1.366 0.788 6.304) 6.499 60.946 ( -39.227 -22.648 27.506) 52.993 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 5.231 3.020 -0.165) 6.042 2.898 ( 0.083 0.048 0.197) 0.220 4.757 ( 9.478 5.472 -15.872) 19.279 4.758 ( 3.122 1.802 6.218) 7.187 6.378 ( -18.078 -10.437 14.644) 25.499 8.072 ( 2.576 1.487 -3.459) 4.562 8.821 ( 9.847 5.685 -26.079) 28.450 10.285 ( 12.129 7.002 14.534) 20.184 18.890 ( 0.554 0.320 0.232) 0.680 19.276 ( 1.302 0.752 1.392) 2.049 38.587 ( 1.430 0.825 7.095) 7.285 60.263 ( -30.609 -17.672 19.909) 40.566 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 0.995 0.574 -1.300) 1.735 2.862 ( -2.685 -1.550 -5.199) 6.053 4.849 ( 5.352 3.090 -19.750) 20.694 4.862 ( 3.272 1.889 9.603) 10.320 6.043 ( -16.925 -9.772 17.103) 25.970 8.075 ( -0.662 -0.382 -5.461) 5.515 8.871 ( 3.487 2.013 -20.668) 21.056 10.546 ( 5.513 3.183 14.262) 15.619 18.901 ( 0.324 0.187 0.398) 0.546 19.299 ( 0.182 0.105 1.578) 1.592 38.642 ( 1.074 0.620 5.732) 5.865 59.764 ( -20.405 -11.781 14.519) 27.676 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -3.190 -1.842 -1.965) 4.175 2.726 ( -6.937 -4.005 -9.845) 12.692 4.842 ( 1.401 0.809 -19.998) 20.063 4.975 ( 2.875 1.660 12.236) 12.678 5.800 ( -12.354 -7.133 27.043) 30.574 7.998 ( -3.895 -2.249 -7.324) 8.595 8.817 ( -1.526 -0.881 -15.639) 15.738 10.626 ( -3.373 -1.947 12.729) 13.312 18.907 ( 0.050 0.029 0.481) 0.484 19.298 ( -0.816 -0.471 1.560) 1.822 38.678 ( 0.648 0.374 2.544) 2.652 59.486 ( -9.301 -5.370 12.364) 16.377 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -7.020 -4.053 -2.063) 8.364 2.478 ( -11.386 -6.573 -10.629) 16.906 4.741 ( -4.405 -2.543 -16.398) 17.169 5.085 ( 2.234 1.290 14.000) 14.236 5.735 ( -5.256 -3.034 39.243) 39.710 7.844 ( -6.998 -4.040 -9.070) 12.147 8.683 ( -5.440 -3.141 -11.610) 13.201 10.497 ( -12.360 -7.136 10.230) 17.560 18.907 ( -0.222 -0.128 0.489) 0.552 19.277 ( -1.568 -0.905 1.306) 2.232 38.692 ( 0.441 0.255 -1.594) 1.673 59.456 ( 1.759 1.016 14.369) 14.512 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -13.950 -8.054 -4.789) 16.805 2.211 ( -10.377 -5.991 -1.669) 12.098 4.497 ( -12.946 -7.474 -9.571) 17.750 5.189 ( 1.856 1.071 15.050) 15.202 5.876 ( 1.534 0.886 46.174) 46.207 7.616 ( -9.858 -5.691 -10.735) 15.647 8.490 ( -8.360 -4.827 -7.393) 12.159 10.172 ( -19.607 -11.320 6.595) 23.581 18.901 ( -0.453 -0.262 0.439) 0.683 19.240 ( -2.039 -1.177 0.712) 2.460 38.687 ( 0.543 0.314 -5.689) 5.723 59.681 ( 11.962 6.906 21.555) 25.600 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -0.000 11.743 11.545) 16.468 0.967 ( -0.000 28.022 12.177) 30.553 3.113 ( -0.000 3.924 53.537) 53.681 5.228 ( 0.000 7.355 -12.237) 14.278 5.595 ( 0.000 16.292 -14.584) 21.866 6.218 ( -0.000 -10.942 12.521) 16.628 6.852 ( -0.000 26.661 7.692) 27.748 9.525 ( -0.000 -6.778 2.678) 7.288 18.832 ( 0.000 0.581 -0.407) 0.709 18.846 ( 0.000 2.435 -1.325) 2.772 38.684 ( 0.000 -4.012 -4.281) 5.867 65.866 ( -0.000 -46.607 18.914) 50.299 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 11.634 13.292 8.515) 19.610 1.396 ( 11.989 25.706 13.985) 31.625 3.377 ( 3.193 3.953 43.287) 43.584 5.072 ( -16.830 12.198 -10.492) 23.283 5.978 ( 26.289 14.532 -17.305) 34.667 6.285 ( 11.306 -5.695 14.694) 19.395 7.167 ( 1.349 29.188 5.897) 29.808 9.451 ( -1.901 -6.606 4.140) 8.024 18.830 ( -0.414 0.934 -0.585) 1.178 18.892 ( 2.500 2.796 -1.452) 4.022 38.606 ( -2.142 -4.155 -3.076) 5.596 65.217 ( -29.317 -50.287 32.025) 66.437 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 12.070 15.067 5.954) 20.202 1.911 ( 16.053 17.841 16.091) 28.895 3.634 ( 5.869 3.325 28.351) 29.143 4.899 ( -14.169 13.667 -7.468) 21.055 6.448 ( 25.766 -3.518 -2.826) 26.158 6.615 ( 20.893 12.106 2.443) 24.271 7.490 ( 0.701 30.074 3.663) 30.304 9.391 ( -0.493 -3.976 3.020) 5.018 18.833 ( -0.065 1.086 -0.584) 1.235 18.963 ( 3.356 2.903 -1.272) 4.616 38.526 ( -2.034 -2.902 -0.901) 3.656 64.296 ( -40.980 -46.558 39.936) 73.769 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 10.504 16.031 4.348) 19.653 2.366 ( 13.796 10.120 16.417) 23.712 3.866 ( 9.128 2.368 12.256) 15.464 4.806 ( -10.857 15.134 -4.056) 19.062 6.760 ( 16.396 -9.624 15.394) 24.463 7.142 ( 27.627 13.072 -11.017) 32.489 7.790 ( 0.150 29.527 -1.167) 29.550 9.399 ( 3.388 0.245 0.487) 3.431 18.844 ( 0.171 1.244 -0.461) 1.337 19.046 ( 3.659 2.701 -0.690) 4.600 38.484 ( -0.747 -1.322 2.083) 2.578 63.319 ( -44.235 -41.569 39.611) 72.483 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 8.288 15.760 3.034) 18.063 2.680 ( 8.379 3.681 14.060) 16.776 4.091 ( 12.934 1.852 -1.114) 13.113 4.789 ( -8.359 16.303 -0.884) 18.342 6.908 ( 4.415 -11.731 19.790) 23.426 7.645 ( 23.477 8.548 -9.006) 26.558 8.057 ( 4.076 25.597 -13.081) 29.033 9.531 ( 9.038 5.344 1.760) 10.646 18.859 ( 0.276 1.379 -0.252) 1.429 19.128 ( 3.515 2.230 0.021) 4.163 38.492 ( 0.600 -0.120 5.289) 5.324 62.360 ( -43.463 -36.507 34.504) 66.425 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 5.451 14.403 1.629) 15.486 2.837 ( 3.628 -0.673 8.993) 9.720 4.322 ( 14.847 1.889 -9.450) 17.700 4.825 ( -6.560 16.134 1.476) 17.479 6.837 ( -6.921 -13.394 16.971) 22.701 7.972 ( 7.829 10.219 -2.722) 13.158 8.327 ( 14.235 14.503 -25.882) 32.906 9.813 ( 13.953 8.420 7.286) 17.851 18.876 ( 0.249 1.457 -0.009) 1.478 19.203 ( 2.968 1.538 0.651) 3.405 38.538 ( 1.381 0.424 7.661) 7.796 61.464 ( -39.787 -31.079 27.612) 57.544 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 1.987 12.160 0.068) 12.321 2.880 ( 1.052 -2.661 3.027) 4.165 4.531 ( 13.410 2.025 -14.655) 19.967 4.884 ( -5.027 13.800 3.531) 15.106 6.590 ( -13.820 -12.383 13.397) 22.887 8.110 ( -0.940 10.968 -4.484) 11.887 8.567 ( 14.397 5.729 -24.211) 28.744 10.175 ( 14.767 7.028 11.309) 19.883 18.894 ( 0.100 1.450 0.214) 1.469 19.260 ( 2.106 0.713 1.108) 2.484 38.600 ( 1.440 0.351 8.205) 8.338 60.679 ( -33.416 -24.989 20.981) 46.704 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -1.790 8.890 -1.480) 9.189 2.855 ( -1.150 -2.632 -2.559) 3.847 4.669 ( 9.132 1.199 -19.835) 21.869 4.952 ( -2.675 9.692 7.241) 12.390 6.298 ( -15.605 -7.545 16.573) 23.982 8.129 ( -4.413 7.618 -7.521) 11.579 8.712 ( 8.706 2.243 -17.851) 19.987 10.489 ( 10.647 2.476 12.382) 16.517 18.908 ( -0.139 1.351 0.377) 1.409 19.294 ( 1.074 -0.129 1.378) 1.752 38.652 ( 0.975 -0.078 6.517) 6.590 60.060 ( -24.596 -18.266 16.112) 34.615 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -5.026 3.909 -3.119) 7.090 2.766 ( -5.492 -0.611 -6.963) 8.889 4.700 ( 5.020 -0.979 -20.750) 21.371 5.039 ( -0.149 5.139 10.607) 11.788 6.097 ( -14.048 0.164 26.618) 30.098 8.050 ( -6.422 2.064 -9.700) 11.815 8.759 ( 2.251 1.528 -12.176) 12.476 10.653 ( 3.087 -3.187 11.631) 12.449 18.918 ( -0.424 1.167 0.464) 1.326 19.304 ( 0.038 -0.867 1.457) 1.696 38.680 ( 0.372 -0.516 2.976) 3.043 59.655 ( -13.900 -11.246 14.160) 22.808 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -7.593 -2.689 -6.072) 10.087 2.609 ( -11.246 3.263 -6.093) 13.200 4.665 ( 1.922 -2.622 -17.543) 17.842 5.125 ( 1.052 0.919 14.730) 14.796 6.055 ( -10.964 7.182 37.512) 39.736 7.878 ( -7.617 -4.857 -11.113) 14.322 8.724 ( -3.797 2.770 -8.076) 9.344 10.615 ( -5.969 -8.697 9.763) 14.372 18.920 ( -0.701 0.922 0.481) 1.254 19.292 ( -0.866 -1.409 1.311) 2.110 38.680 ( -0.007 -0.687 -1.464) 1.617 59.505 ( -2.197 -4.457 16.006) 16.759 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -10.827 -4.962 -4.698) 12.803 2.411 ( -14.618 3.705 -2.402) 15.270 4.545 ( -5.277 -4.827 -13.258) 15.064 5.225 ( 2.430 0.169 18.624) 18.783 6.161 ( -6.736 9.969 44.277) 45.882 7.616 ( -8.087 -12.391 -11.807) 18.930 8.630 ( -8.990 5.598 -4.802) 11.629 10.369 ( -14.677 -13.276 7.069) 21.015 18.916 ( -0.923 0.640 0.444) 1.208 19.260 ( -1.571 -1.701 0.859) 2.470 38.658 ( 0.006 -0.503 -5.720) 5.742 59.630 ( 9.618 1.571 22.361) 24.393 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.000 15.881 8.701) 18.108 1.632 ( -0.000 28.338 14.439) 31.804 3.548 ( -0.000 2.256 36.758) 36.828 5.422 ( 0.000 21.255 -11.529) 24.181 5.733 ( 0.000 10.613 -18.757) 21.552 6.206 ( -0.000 -1.032 16.495) 16.527 7.485 ( -0.000 33.336 4.168) 33.596 9.412 ( -0.000 -7.450 4.312) 8.608 18.844 ( 0.000 0.889 -0.289) 0.935 18.894 ( 0.000 3.775 -1.585) 4.094 38.570 ( 0.000 -4.556 -1.880) 4.929 65.052 ( -0.000 -57.239 31.305) 65.240 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 10.207 16.098 6.889) 20.268 1.998 ( 5.577 23.185 16.036) 28.737 3.702 ( 1.700 0.370 25.021) 25.081 5.326 ( -19.191 21.119 -10.353) 30.356 6.016 ( 21.006 4.120 -11.630) 24.362 6.435 ( 15.330 8.719 11.160) 20.870 7.820 ( -0.744 33.913 2.179) 33.991 9.360 ( -0.064 -5.376 2.687) 6.011 18.848 ( -0.342 1.249 -0.375) 1.348 18.945 ( 1.997 3.849 -1.282) 4.522 38.518 ( -0.842 -3.399 0.448) 3.530 64.457 ( -19.891 -55.835 34.248) 68.456 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 12.080 17.232 4.990) 21.628 2.363 ( 7.769 14.523 16.965) 23.645 3.813 ( 3.765 -1.312 11.033) 11.731 5.206 ( -16.063 22.321 -6.297) 28.212 6.361 ( 22.789 -2.714 -1.013) 22.973 6.875 ( 19.622 12.344 2.622) 23.330 8.110 ( -2.785 31.020 -1.340) 31.173 9.349 ( 2.322 -0.314 -0.513) 2.399 18.856 ( -0.103 1.590 -0.366) 1.635 19.017 ( 2.823 3.531 -0.797) 4.591 38.490 ( -0.362 -1.661 3.557) 3.942 63.650 ( -30.714 -51.086 34.339) 68.791 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 9.331 18.736 3.402) 21.206 2.651 ( 6.631 5.527 16.254) 18.404 3.909 ( 7.969 -1.709 -1.738) 8.333 5.164 ( -13.214 22.811 -2.775) 26.508 6.676 ( 17.207 -7.205 7.937) 20.273 7.321 ( 21.023 10.839 -3.938) 23.979 8.292 ( -4.928 24.300 -8.932) 26.355 9.454 ( 7.071 7.217 -0.480) 10.115 18.872 ( 0.073 1.886 -0.240) 1.903 19.096 ( 3.100 2.891 -0.224) 4.245 38.504 ( 0.590 -0.279 6.679) 6.711 62.762 ( -35.486 -45.311 30.895) 65.321 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 5.146 18.988 1.800) 19.755 2.811 ( 3.096 -1.208 12.783) 13.208 4.049 ( 13.227 -0.782 -10.088) 16.653 5.168 ( -11.322 21.346 -1.051) 24.186 6.809 ( 3.258 -9.958 12.923) 16.637 7.754 ( 22.121 9.200 -8.432) 25.398 8.357 ( -4.343 17.572 -17.019) 24.845 9.711 ( 11.431 11.219 3.859) 16.475 18.892 ( 0.079 2.127 -0.056) 2.129 19.171 ( 2.949 1.972 0.318) 3.562 38.553 ( 1.246 0.286 8.808) 8.900 61.871 ( -35.952 -38.947 25.456) 58.800 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 0.908 16.671 -0.408) 16.701 2.853 ( 0.561 -3.225 7.627) 8.299 4.239 ( 15.316 -0.056 -14.519) 21.105 5.174 ( -9.862 16.861 -0.799) 19.550 6.725 ( -8.076 -7.494 13.808) 17.665 8.142 ( 15.931 10.536 -7.735) 20.607 8.366 ( -0.686 9.947 -20.710) 22.985 10.047 ( 13.474 8.763 8.024) 17.965 18.913 ( -0.088 2.273 0.133) 2.279 19.232 ( 2.443 0.888 0.748) 2.705 38.614 ( 1.269 0.049 9.074) 9.162 61.044 ( -32.801 -31.970 19.792) 49.897 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -1.967 4.856 -3.424) 6.259 2.872 ( -1.821 6.203 3.430) 7.319 4.412 ( 12.806 -0.238 -18.344) 22.373 5.154 ( -7.295 9.184 0.460) 11.737 6.570 ( -13.062 1.146 18.341) 22.546 8.277 ( -6.739 10.188 -13.270) 18.037 8.484 ( 14.550 4.183 -12.791) 19.820 10.361 ( 12.330 2.748 10.105) 16.177 18.932 ( -0.389 2.288 0.284) 2.338 19.274 ( 1.687 -0.209 1.034) 1.990 38.662 ( 0.746 -0.641 7.176) 7.243 60.346 ( -26.410 -24.496 15.433) 39.188 ======================= Grid point 970 (338/489) ======================= q-point: (-0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -3.236 -1.889 -6.049) 7.116 2.904 ( -6.597 11.640 -0.018) 13.379 4.497 ( 7.898 -1.250 -20.531) 22.033 5.134 ( -2.413 1.905 6.103) 6.833 6.493 ( -14.086 11.319 26.262) 31.878 8.147 ( -8.050 0.865 -14.405) 16.525 8.679 ( 6.953 7.005 -8.059) 12.742 10.567 ( 7.707 -4.046 10.201) 13.410 18.946 ( -0.760 2.150 0.378) 2.312 19.292 ( 0.814 -1.162 1.165) 1.836 38.681 ( 0.034 -1.310 3.543) 3.778 59.838 ( -17.277 -16.897 13.573) 27.718 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -5.752 -2.510 -7.530) 9.803 2.861 ( -11.616 11.381 -1.640) 16.345 4.508 ( 5.135 -2.147 -17.387) 18.256 5.166 ( 1.188 -1.628 13.673) 13.820 6.524 ( -13.608 17.511 32.819) 39.609 7.914 ( -9.387 -7.397 -13.401) 17.956 8.785 ( 0.130 8.761 -5.507) 10.349 10.607 ( 0.388 -10.132 8.904) 13.494 18.951 ( -1.124 1.861 0.416) 2.213 19.288 ( -0.052 -1.834 1.119) 2.149 38.668 ( -0.473 -1.574 -0.862) 1.856 59.570 ( -6.159 -9.733 15.050) 18.952 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -8.424 -1.544 -4.825) 9.830 2.727 ( -15.782 9.791 -1.201) 18.611 4.481 ( 1.308 -2.821 -13.931) 14.274 5.255 ( 3.235 -1.643 21.184) 21.493 6.624 ( -12.328 18.232 35.533) 41.797 7.590 ( -10.438 -14.664 -11.248) 21.225 8.815 ( -5.240 10.690 -3.493) 12.407 10.454 ( -8.182 -14.849 6.819) 18.274 18.947 ( -1.409 1.434 0.402) 2.050 19.266 ( -0.837 -2.133 0.847) 2.443 38.632 ( -0.556 -1.305 -4.961) 5.160 59.575 ( 6.042 -3.604 20.356) 21.537 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -0.000 15.946 6.513) 17.225 2.247 ( -0.000 21.442 17.390) 27.607 3.767 ( -0.000 -2.164 16.689) 16.828 5.713 ( 0.000 4.263 -17.871) 18.373 5.809 ( 0.000 26.205 -8.049) 27.413 6.426 ( -0.000 8.724 15.569) 17.846 8.159 ( -0.000 33.498 -0.302) 33.499 9.322 ( -0.000 -3.478 1.099) 3.648 18.860 ( 0.000 1.061 -0.280) 1.098 18.965 ( 0.000 4.683 -1.157) 4.824 38.500 ( -0.000 -2.623 2.605) 3.697 64.197 ( -0.000 -58.303 31.939) 66.478 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 10.271 15.432 5.195) 19.251 2.514 ( 1.423 15.251 18.809) 24.257 3.789 ( 0.769 -3.883 5.848) 7.062 5.609 ( -9.497 14.681 -13.672) 22.196 6.084 ( 9.272 12.606 -3.309) 15.995 6.725 ( 14.561 11.426 10.459) 21.259 8.431 ( -2.409 27.369 -4.837) 27.897 9.326 ( 1.364 3.826 -1.104) 4.210 18.870 ( 0.035 1.297 -0.321) 1.337 19.018 ( 1.310 4.612 -0.765) 4.855 38.496 ( 0.005 -1.185 5.384) 5.512 63.640 ( -14.693 -56.036 29.963) 65.220 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 13.914 15.610 3.547) 21.210 2.724 ( 1.160 7.402 19.333) 20.734 3.780 ( 3.039 -3.941 -4.595) 6.774 5.564 ( -10.041 18.358 -9.044) 22.796 6.377 ( 15.381 6.090 1.352) 16.598 7.121 ( 15.749 9.373 5.905) 19.255 8.542 ( -5.101 16.954 -13.093) 22.020 9.458 ( 4.039 14.738 -0.376) 15.286 18.886 ( 0.292 1.679 -0.289) 1.728 19.085 ( 1.911 3.942 -0.308) 4.391 38.523 ( 0.529 0.010 8.037) 8.055 62.909 ( -23.937 -51.192 26.538) 62.433 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 11.298 15.619 1.569) 19.341 2.845 ( -0.321 0.854 17.675) 17.698 3.805 ( 8.345 -2.473 -11.635) 14.530 5.537 ( -10.288 16.898 -7.019) 20.992 6.678 ( 11.467 3.161 7.593) 14.111 7.477 ( 17.071 6.890 -0.142) 18.409 8.520 ( -5.132 12.264 -19.781) 23.833 9.712 ( 6.054 17.986 2.252) 19.111 18.909 ( 0.409 2.086 -0.176) 2.133 19.151 ( 2.086 2.846 0.122) 3.531 38.575 ( 0.967 0.387 9.649) 9.705 62.103 ( -28.485 -44.860 21.791) 57.434 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 4.121 5.803 0.234) 7.121 2.913 ( -0.618 7.233 12.103) 14.113 3.922 ( 13.973 -1.587 -14.275) 20.039 5.472 ( -10.341 10.903 -7.769) 16.917 6.846 ( -1.024 5.194 14.665) 15.591 7.843 ( 20.848 6.267 -6.719) 22.783 8.469 ( -4.436 10.786 -20.437) 23.531 9.997 ( 7.652 13.510 4.990) 16.309 18.936 ( 0.269 2.460 -0.029) 2.475 19.207 ( 1.960 1.473 0.466) 2.496 38.633 ( 0.928 -0.098 9.514) 9.560 61.301 ( -28.908 -37.524 16.784) 50.254 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -0.380 -4.302 -0.145) 4.321 3.058 ( -2.386 16.440 5.291) 17.434 4.098 ( 15.274 -1.342 -15.916) 22.100 5.340 ( -9.242 2.901 -7.207) 12.073 6.909 ( -9.258 13.304 20.408) 26.061 8.187 ( 16.203 1.203 -10.557) 19.376 8.427 ( -2.350 12.432 -16.537) 20.822 10.251 ( 8.579 5.385 7.217) 12.437 18.963 ( -0.124 2.727 0.114) 2.732 19.247 ( 1.619 0.022 0.695) 1.762 38.674 ( 0.398 -1.068 7.462) 7.548 60.579 ( -25.577 -29.581 12.781) 41.141 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -1.524 -3.684 -3.603) 5.374 3.160 ( -6.338 15.909 3.072) 17.398 4.248 ( 11.585 -0.772 -17.928) 21.360 5.200 ( -4.687 -2.627 -0.071) 5.374 6.983 ( -12.686 21.142 25.201) 35.257 8.171 ( -3.874 -6.025 -13.936) 15.670 8.611 ( 9.381 14.447 -10.171) 20.004 10.430 ( 7.718 -3.460 8.252) 11.817 18.984 ( -0.687 2.798 0.230) 2.891 19.267 ( 1.146 -1.269 0.806) 1.890 38.683 ( -0.337 -1.966 3.954) 4.429 60.006 ( -18.895 -21.557 10.892) 30.665 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -3.359 -1.493 -5.701) 6.783 3.174 ( -10.546 14.115 1.620) 17.694 4.324 ( 7.117 -0.131 -16.798) 18.244 5.161 ( 1.570 -4.360 10.624) 11.590 7.088 ( -14.331 24.505 27.249) 39.349 7.929 ( -8.791 -10.848 -10.828) 17.669 8.830 ( 4.765 13.605 -8.419) 16.694 10.495 ( 4.178 -10.990 7.848) 14.136 18.995 ( -1.293 2.586 0.308) 2.908 19.268 ( 0.603 -2.158 0.802) 2.379 38.659 ( -0.902 -2.334 -0.100) 2.504 59.641 ( -9.463 -14.100 11.891) 20.731 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -5.606 0.889 -4.359) 7.157 3.091 ( -14.841 11.715 1.030) 18.936 4.360 ( 4.354 0.269 -13.213) 13.915 5.244 ( 5.270 -3.450 19.575) 20.563 7.161 ( -15.022 17.504 19.358) 30.113 7.616 ( -11.880 -9.840 0.042) 15.426 8.963 ( -0.469 13.303 -6.499) 14.813 10.413 ( -1.942 -16.183 6.418) 17.517 18.993 ( -1.793 2.032 0.334) 2.731 19.254 ( 0.006 -2.452 0.680) 2.544 38.612 ( -1.054 -2.011 -3.720) 4.358 59.527 ( 1.908 -7.884 16.152) 18.075 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -0.000 14.234 4.748) 15.005 2.715 ( -0.000 10.419 21.500) 23.892 3.749 ( 0.000 -4.778 -2.034) 5.193 5.644 ( 0.000 4.062 -18.042) 18.494 6.262 ( -0.000 24.528 -3.090) 24.721 6.747 ( -0.000 10.851 15.627) 19.025 8.634 ( 0.000 16.005 -11.456) 19.683 9.400 ( -0.000 15.834 -0.708) 15.850 18.879 ( 0.000 1.083 -0.384) 1.149 19.053 ( -0.000 5.128 -0.517) 5.154 38.515 ( -0.000 -0.232 7.467) 7.470 63.328 ( -0.000 -56.428 26.147) 62.191 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 10.517 13.123 3.710) 17.222 2.868 ( -0.672 3.018 23.453) 23.656 3.688 ( 0.529 -3.147 -9.843) 10.347 5.655 ( 3.773 5.758 -17.499) 18.804 6.429 ( -2.575 19.988 2.120) 20.264 7.022 ( 10.853 9.428 12.393) 18.980 8.655 ( -2.386 7.404 -18.754) 20.303 9.612 ( 0.889 25.066 -0.060) 25.082 18.891 ( 0.444 1.198 -0.419) 1.344 19.106 ( 0.626 4.818 -0.186) 4.862 38.553 ( 0.317 0.511 9.257) 9.277 62.796 ( -11.395 -53.345 21.994) 58.815 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 14.695 11.592 2.300) 18.857 2.940 ( -1.074 -3.216 22.044) 22.303 3.648 ( 2.658 0.216 -13.875) 14.129 5.691 ( 0.278 6.044 -15.532) 16.669 6.645 ( 5.889 16.841 5.127) 18.563 7.322 ( 11.052 5.282 9.111) 15.266 8.588 ( -2.876 7.034 -23.186) 24.400 9.873 ( 0.764 24.834 0.406) 24.850 18.914 ( 0.909 1.488 -0.376) 1.784 19.160 ( 0.794 3.880 0.127) 3.962 38.606 ( 0.588 0.521 10.062) 10.093 62.130 ( -18.918 -47.853 17.272) 54.278 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 7.282 2.166 2.731) 8.074 3.014 ( 4.081 3.919 14.693) 15.744 3.676 ( 6.614 0.997 -13.348) 14.930 5.629 ( -5.663 2.967 -14.441) 15.793 6.960 ( 7.308 16.695 10.028) 20.801 7.585 ( 13.615 3.377 3.647) 14.494 8.522 ( -2.360 7.875 -23.451) 24.850 10.102 ( 0.607 19.100 1.421) 19.162 18.946 ( 1.108 1.882 -0.277) 2.201 19.205 ( 0.719 2.478 0.365) 2.606 38.657 ( 0.502 -0.264 9.397) 9.414 61.413 ( -22.530 -40.749 12.513) 48.214 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 0.220 -6.100 2.946) 6.778 3.248 ( 3.424 15.479 7.988) 17.752 3.779 ( 12.463 -1.396 -12.938) 18.018 5.456 ( -8.732 -1.125 -12.772) 15.512 7.251 ( -0.657 20.261 17.941) 27.071 7.882 ( 17.496 1.599 -2.351) 17.725 8.471 ( -1.153 7.753 -21.868) 23.230 10.265 ( 0.965 10.219 2.992) 10.692 18.983 ( 0.904 2.334 -0.149) 2.507 19.233 ( 0.564 0.792 0.498) 1.093 38.688 ( 0.007 -1.469 7.233) 7.380 60.723 ( -22.338 -32.729 8.639) 40.556 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -0.430 -4.395 -0.292) 4.425 3.423 ( -4.229 15.803 6.202) 17.496 3.953 ( 15.268 -0.610 -13.682) 20.510 5.252 ( -7.137 -3.696 -6.329) 10.230 7.482 ( -7.317 25.015 22.222) 34.251 8.054 ( 4.719 -7.729 -4.453) 10.092 8.533 ( 9.132 12.774 -19.329) 24.903 10.352 ( 1.749 -0.080 4.652) 4.971 19.017 ( 0.258 2.762 -0.006) 2.774 19.243 ( 0.480 -0.934 0.524) 1.173 38.686 ( -0.680 -2.519 4.037) 4.807 60.133 ( -18.559 -24.528 6.585) 31.455 ======================= Grid point 1005 (356/489) ======================= q-point: (-0.24 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -1.165 -0.981 -2.775) 3.166 3.473 ( -8.140 12.080 4.760) 15.325 4.131 ( 10.643 3.389 -14.012) 17.920 5.135 ( -0.786 -4.857 4.665) 6.780 7.638 ( -12.290 20.457 12.762) 27.063 7.930 ( -5.537 -7.035 5.962) 10.757 8.787 ( 11.398 14.143 -16.207) 24.344 10.359 ( 2.151 -9.757 5.761) 11.533 19.041 ( -0.766 2.949 0.139) 3.050 19.238 ( 0.562 -2.313 0.474) 2.427 38.652 ( -1.234 -2.932 0.602) 3.237 59.706 ( -11.591 -16.927 7.048) 21.692 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -2.735 2.225 -3.082) 4.683 3.425 ( -11.543 8.267 3.422) 14.605 4.255 ( 5.351 6.121 -12.199) 14.660 5.177 ( 6.121 -4.369 14.708) 16.519 7.431 ( -13.739 -12.889 -8.646) 20.728 7.950 ( -12.419 21.022 28.217) 37.314 9.009 ( 6.335 13.585 -14.223) 20.663 10.281 ( 0.820 -16.609 5.974) 17.670 19.046 ( -1.872 2.436 0.234) 3.081 19.225 ( 0.676 -2.732 0.418) 2.845 38.599 ( -1.421 -2.542 -2.266) 3.690 59.493 ( -2.058 -10.675 10.349) 15.010 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -0.000 11.587 3.487) 12.100 2.963 ( -0.000 -6.061 25.934) 26.632 3.625 ( 0.000 1.544 -13.942) 14.027 5.583 ( 0.000 5.136 -18.974) 19.657 6.654 ( -0.000 16.461 -0.455) 16.467 7.077 ( -0.000 9.673 16.077) 18.763 8.642 ( 0.000 4.939 -22.524) 23.059 9.872 ( -0.000 28.933 -1.071) 28.953 18.895 ( 0.000 0.990 -0.522) 1.119 19.149 ( -0.000 4.923 0.027) 4.923 38.596 ( -0.000 0.754 10.007) 10.035 62.459 ( -0.000 -51.932 17.241) 54.719 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 10.242 9.897 2.733) 14.502 2.961 ( -0.080 -13.100 22.013) 25.616 3.611 ( -0.189 6.555 -11.603) 13.328 5.603 ( 4.701 4.654 -18.929) 20.051 6.775 ( 0.145 13.062 0.318) 13.067 7.284 ( 5.957 6.670 14.719) 17.223 8.592 ( -1.454 7.279 -23.875) 25.002 10.130 ( -1.090 27.018 -1.989) 27.113 18.909 ( 0.768 1.016 -0.541) 1.384 19.195 ( 0.042 4.318 0.226) 4.325 38.645 ( 0.214 0.368 9.892) 9.901 61.960 ( -8.955 -47.599 12.282) 49.967 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 10.728 4.311 2.792) 11.894 2.945 ( 6.163 -9.527 13.550) 17.674 3.641 ( -0.661 7.749 -5.892) 9.757 5.618 ( 0.842 2.029 -18.009) 18.142 6.973 ( 9.781 12.553 -0.868) 15.938 7.500 ( 6.640 4.398 14.743) 16.757 8.543 ( -2.576 8.899 -22.870) 24.675 10.324 ( -2.973 21.562 -2.199) 21.877 18.936 ( 1.481 1.173 -0.497) 1.953 19.232 ( -0.249 3.190 0.359) 3.220 38.685 ( 0.123 -0.662 8.694) 8.720 61.370 ( -14.825 -41.139 7.486) 44.365 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 1.119 -6.558 5.049) 8.351 3.185 ( 18.444 4.312 3.919) 19.343 3.679 ( -1.415 6.431 -1.728) 6.808 5.511 ( -5.822 -0.474 -15.965) 17.000 7.327 ( 17.197 13.449 -1.659) 21.895 7.717 ( 7.153 3.906 16.355) 18.273 8.485 ( -3.407 7.945 -21.460) 23.136 10.422 ( -4.721 13.683 -1.679) 14.572 18.975 ( 1.895 1.426 -0.412) 2.407 19.249 ( -0.670 1.708 0.399) 1.878 38.702 ( -0.308 -1.972 6.523) 6.821 60.760 ( -17.337 -33.406 3.537) 37.803 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 0.399 -5.084 2.865) 5.850 3.571 ( 17.779 8.936 0.755) 19.912 3.698 ( -1.790 3.746 -0.158) 4.154 5.320 ( -8.238 -1.500 -11.389) 14.135 7.729 ( 14.172 11.566 -2.564) 18.472 7.925 ( 4.296 3.137 20.585) 21.261 8.439 ( 1.238 8.666 -21.346) 23.071 10.417 ( -5.608 4.265 -0.580) 7.070 19.021 ( 1.862 1.783 -0.290) 2.594 19.245 ( -1.022 0.030 0.348) 1.080 38.689 ( -0.912 -3.016 3.816) 4.948 60.201 ( -16.442 -25.306 1.206) 30.202 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 0.586 -1.213 0.445) 1.419 3.685 ( -4.089 2.792 2.615) 5.600 3.932 ( 14.461 10.356 -3.792) 18.186 5.151 ( -5.269 -2.241 -3.544) 6.734 7.778 ( -4.545 -11.821 -4.365) 13.396 8.190 ( 0.556 21.450 24.662) 32.690 8.590 ( 14.641 10.448 -20.750) 27.460 10.319 ( -5.109 -5.630 0.941) 7.661 19.066 ( 1.202 2.306 -0.116) 2.603 19.220 ( -1.010 -1.721 0.235) 2.009 38.648 ( -1.418 -3.345 1.196) 3.826 59.756 ( -12.294 -17.749 1.113) 21.619 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -0.084 2.293 -1.119) 2.553 3.628 ( -5.897 -0.141 2.640) 6.462 4.208 ( 7.261 13.458 -6.271) 16.528 5.101 ( 2.526 -3.299 5.892) 7.210 7.455 ( -12.481 -19.459 -4.025) 23.466 8.470 ( -6.995 25.017 26.587) 37.171 8.869 ( 15.542 9.937 -21.876) 28.616 10.160 ( -3.095 -14.211 3.033) 14.857 19.097 ( -0.761 2.740 0.086) 2.845 19.187 ( 0.180 -3.125 0.138) 3.133 38.592 ( -1.620 -2.826 -0.757) 3.344 59.475 ( -5.272 -11.559 3.561) 13.194 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -0.000 8.365 2.760) 8.809 2.887 ( -0.000 -17.470 16.981) 24.363 3.662 ( 0.000 9.267 -4.305) 10.218 5.532 ( 0.000 5.794 -19.642) 20.479 6.852 ( 0.000 5.691 -3.402) 6.630 7.366 ( -0.000 6.751 15.815) 17.196 8.595 ( 0.000 10.167 -22.302) 24.510 10.384 ( -0.000 25.132 -3.789) 25.416 18.908 ( 0.000 0.825 -0.608) 1.025 19.237 ( -0.000 4.006 0.307) 4.018 38.683 ( -0.000 -0.292 9.028) 9.033 61.628 ( 0.000 -44.332 7.108) 44.899 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 8.662 5.651 2.527) 10.647 2.797 ( 2.621 -15.229 11.950) 19.534 3.739 ( -1.185 9.203 2.235) 9.545 5.537 ( 2.685 4.676 -19.356) 20.093 6.907 ( 5.011 3.992 -6.304) 8.988 7.522 ( 4.098 4.694 15.993) 17.164 8.598 ( -2.207 11.387 -19.676) 22.841 10.566 ( -2.744 20.425 -4.725) 21.143 18.921 ( 0.986 0.784 -0.601) 1.396 19.270 ( -0.410 3.144 0.323) 3.187 38.708 ( -0.073 -1.401 7.501) 7.631 61.184 ( -6.984 -38.668 2.154) 39.352 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 2.271 -5.412 6.073) 8.446 2.893 ( 16.972 -2.027 3.285) 17.405 3.812 ( -2.704 8.617 6.904) 11.368 5.513 ( -1.460 2.501 -17.750) 17.985 7.086 ( 15.628 4.864 -9.606) 18.978 7.718 ( 6.795 2.809 17.454) 18.940 8.572 ( -4.713 10.626 -16.761) 20.398 10.638 ( -6.085 13.782 -4.923) 15.849 18.951 ( 1.880 0.802 -0.554) 2.117 19.284 ( -1.047 1.946 0.260) 2.225 38.711 ( -0.441 -2.612 5.531) 6.133 60.690 ( -11.414 -31.457 -1.991) 33.523 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 0.926 -5.618 5.611) 7.994 3.234 ( 21.631 0.808 -2.266) 21.764 3.873 ( -3.813 8.651 10.477) 14.112 5.394 ( -6.560 1.571 -14.839) 16.300 7.419 ( 22.461 3.712 -10.554) 25.094 7.921 ( 7.704 -0.952 14.460) 16.412 8.532 ( -5.019 12.052 -10.505) 16.757 10.587 ( -9.135 6.015 -4.604) 11.867 18.993 ( 2.500 0.836 -0.471) 2.678 19.274 ( -1.735 0.627 0.133) 1.850 38.688 ( -0.963 -3.448 3.490) 5.000 60.203 ( -12.983 -23.685 -4.663) 27.410 ======================= Grid point 1039 (369/489) ======================= q-point: (-0.24 -0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 1.732 -2.107 3.435) 4.386 3.539 ( 15.585 -2.316 -6.049) 16.877 3.970 ( 0.274 11.070 12.419) 16.639 5.231 ( -7.725 1.377 -10.839) 13.381 7.665 ( 5.886 -9.740 1.019) 11.425 8.110 ( 18.353 2.739 -11.981) 22.088 8.618 ( 0.081 16.700 7.451) 18.287 10.418 ( -11.080 -2.095 -3.998) 11.964 19.044 ( 2.777 0.847 -0.326) 2.922 19.241 ( -2.337 -0.589 -0.016) 2.410 38.644 ( -1.421 -3.541 1.791) 4.215 59.782 ( -11.599 -16.353 -5.290) 20.735 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -0.000 4.700 2.424) 5.288 2.676 ( -0.000 -14.664 11.353) 18.545 3.859 ( -0.000 8.861 7.947) 11.903 5.484 ( 0.000 5.629 -19.769) 20.554 6.853 ( 0.000 1.015 -9.409) 9.464 7.584 ( -0.000 2.895 14.832) 15.112 8.656 ( 0.000 11.305 -16.608) 20.090 10.749 ( 0.000 16.567 -6.063) 17.641 18.917 ( 0.000 0.607 -0.619) 0.867 19.303 ( -0.000 2.498 0.220) 2.507 38.718 ( -0.000 -2.375 6.026) 6.477 60.889 ( 0.000 -33.748 -2.998) 33.881 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 2.796 -2.184 5.162) 6.263 2.652 ( 8.841 -6.571 6.976) 13.038 3.969 ( -1.609 8.330 11.799) 14.533 5.471 ( 1.187 4.634 -18.960) 19.554 6.875 ( 7.452 1.575 -13.065) 15.123 7.699 ( 4.405 0.445 14.717) 15.369 8.673 ( -2.479 9.384 -13.760) 16.839 10.823 ( -4.041 10.904 -6.541) 13.343 18.929 ( 1.105 0.503 -0.595) 1.352 19.317 ( -0.712 1.510 0.050) 1.670 38.710 ( -0.331 -3.276 4.544) 5.612 60.527 ( -5.401 -27.142 -7.398) 28.646 ======================= Grid point 1055 (372/489) ======================= q-point: (-0.29 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 0.922 -5.926 7.672) 9.738 2.888 ( 18.636 -1.186 0.948) 18.698 4.058 ( -3.086 7.694 13.880) 16.167 5.432 ( -2.398 3.571 -17.090) 17.623 7.045 ( 17.958 2.156 -16.546) 24.513 7.832 ( 5.607 -4.252 12.898) 14.693 8.664 ( -2.422 8.912 -8.417) 12.496 10.767 ( -8.366 4.377 -6.489) 11.457 18.958 ( 2.081 0.384 -0.542) 2.185 19.308 ( -1.521 0.431 -0.151) 1.588 38.682 ( -0.803 -3.728 3.318) 5.055 60.144 ( -8.738 -19.830 -10.423) 24.047 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 2.149 -3.538 5.807) 7.131 3.197 ( 19.577 -2.732 -2.138) 19.882 4.135 ( -2.622 7.377 14.290) 16.294 5.323 ( -6.322 3.236 -15.587) 17.129 7.346 ( 22.205 -0.952 -13.755) 26.138 7.862 ( 3.240 -9.737 0.712) 10.287 8.751 ( 3.432 11.292 3.312) 12.258 10.580 ( -12.176 -2.080 -6.197) 13.820 18.999 ( 2.776 0.163 -0.434) 2.815 19.275 ( -2.253 -0.469 -0.328) 2.324 38.642 ( -1.240 -3.469 2.536) 4.472 59.785 ( -9.719 -12.849 -11.521) 19.806 ======================= Grid point 1071 (374/489) ======================= q-point: (-0.35 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -0.000 0.672 2.262) 2.360 2.533 ( -0.000 -9.813 11.216) 14.903 4.115 ( -0.000 7.768 15.035) 16.923 5.426 ( 0.000 4.773 -19.293) 19.874 6.763 ( 0.000 0.837 -17.315) 17.335 7.715 ( -0.000 -1.238 13.533) 13.590 8.715 ( 0.000 5.991 -11.813) 13.246 10.913 ( 0.000 6.024 -7.141) 9.342 18.921 ( 0.000 0.334 -0.588) 0.676 19.334 ( 0.000 0.703 -0.206) 0.732 38.696 ( -0.000 -3.728 3.815) 5.334 60.298 ( 0.000 -21.109 -12.092) 24.327 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -0.029 -6.175 8.579) 10.571 2.620 ( 11.678 -3.160 3.514) 12.598 4.233 ( -2.033 6.657 16.353) 17.773 5.405 ( 0.937 4.026 -18.304) 18.765 6.757 ( 8.536 0.830 -22.895) 24.449 7.771 ( 2.687 -4.489 12.827) 13.853 8.710 ( -0.188 3.599 -8.383) 9.124 10.875 ( -4.789 0.234 -7.189) 8.642 18.931 ( 1.140 0.173 -0.558) 1.281 19.328 ( -0.853 -0.200 -0.457) 0.988 38.671 ( -0.457 -3.711 3.473) 5.103 60.034 ( -4.253 -14.283 -15.462) 21.475 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 1.778 -5.410 7.236) 9.208 2.844 ( 17.604 -4.467 0.995) 18.189 4.308 ( -3.335 5.161 15.588) 16.756 5.360 ( -2.350 3.302 -17.892) 18.345 6.895 ( 19.532 0.096 -26.477) 32.902 7.772 ( -0.671 -11.010 9.907) 14.826 8.757 ( 4.898 4.562 -1.426) 6.843 10.703 ( -9.366 -5.378 -6.912) 12.823 18.957 ( 2.098 -0.068 -0.486) 2.155 19.299 ( -1.642 -0.941 -0.637) 1.997 38.640 ( -0.903 -3.083 3.491) 4.744 59.767 ( -6.949 -7.696 -16.945) 19.866 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -0.000 -8.098 10.697) 13.417 2.483 ( -0.000 -3.590 2.102) 4.160 4.376 ( -0.000 4.859 17.414) 18.080 5.355 ( 0.000 3.616 -18.223) 18.578 6.584 ( 0.000 -0.149 -30.222) 30.222 7.757 ( -0.000 -5.152 12.308) 13.342 8.689 ( 0.000 -0.823 -6.260) 6.313 10.863 ( 0.000 -5.102 -7.405) 8.993 18.920 ( 0.000 0.019 -0.551) 0.552 19.327 ( 0.000 -0.942 -0.719) 1.185 38.655 ( -0.000 -3.267 3.947) 5.124 59.891 ( 0.000 -7.894 -19.162) 20.725 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 0.477 -7.609 7.483) 10.683 2.555 ( 11.129 -6.531 2.997) 13.247 4.459 ( -2.346 2.241 16.388) 16.707 5.326 ( 0.727 2.885 -17.915) 18.160 6.518 ( 9.698 -0.872 -36.342) 37.624 7.738 ( -1.396 -9.160 11.746) 14.961 8.683 ( 4.204 -1.726 -1.733) 4.864 10.718 ( -4.798 -10.367 -7.297) 13.555 18.926 ( 1.106 -0.175 -0.511) 1.231 19.305 ( -0.836 -1.546 -0.866) 1.959 38.641 ( -0.468 -2.368 4.541) 5.142 59.733 ( -3.600 -1.673 -20.945) 21.317 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -0.000 -10.652 8.177) 13.428 2.388 ( -0.000 -7.895 1.878) 8.115 4.546 ( -0.000 -2.159 15.654) 15.802 5.273 ( 0.000 2.604 -16.706) 16.908 6.262 ( 0.000 -1.430 -44.253) 44.276 7.720 ( -0.000 -8.562 11.361) 14.226 8.600 ( -0.000 -5.905 1.409) 6.070 10.603 ( 0.000 -15.416 -7.418) 17.108 18.913 ( 0.000 -0.288 -0.507) 0.583 19.291 ( 0.000 -2.025 -0.949) 2.237 38.647 ( -0.000 -1.378 5.401) 5.574 59.686 ( 0.000 4.250 -22.926) 23.317 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -0.000 0.000 13.015) 13.015 0.659 ( -0.000 0.000 13.015) 13.015 3.304 ( -0.000 0.000 54.873) 54.873 5.247 ( 0.000 -0.000 -11.881) 11.881 5.247 ( 0.000 -0.000 -11.881) 11.881 6.497 ( -0.000 0.000 9.523) 9.523 6.497 ( -0.000 0.000 9.523) 9.523 9.591 ( 0.000 -0.000 -0.665) 0.665 18.822 ( 0.000 -0.000 -0.568) 0.568 18.822 ( 0.000 -0.000 -0.568) 0.568 38.706 ( 0.000 -0.000 -4.865) 4.865 66.357 ( -0.000 0.000 2.336) 2.336 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 10.549 6.090 9.905) 15.699 1.020 ( 23.647 13.653 12.664) 30.099 3.528 ( 1.035 0.598 48.229) 48.244 4.966 ( -9.232 -5.330 -9.131) 14.036 5.618 ( 24.611 14.209 -15.306) 32.278 6.433 ( 1.636 0.945 11.667) 11.819 6.797 ( 12.456 7.192 6.836) 15.925 9.544 ( -3.548 -2.049 0.118) 4.099 18.816 ( 0.032 0.018 -0.641) 0.642 18.849 ( 2.291 1.323 -0.770) 2.755 38.652 ( -2.855 -1.648 -3.815) 5.041 65.990 ( -32.345 -18.674 12.572) 39.408 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 13.798 7.966 6.900) 17.362 1.638 ( 25.420 14.676 13.516) 32.315 3.730 ( 1.755 1.013 35.920) 35.977 4.766 ( -5.891 -3.401 -6.259) 9.244 6.159 ( 29.684 17.138 -19.046) 39.212 6.631 ( 10.004 5.776 15.522) 19.349 7.098 ( 12.535 7.237 4.272) 15.091 9.458 ( -3.736 -2.157 -0.225) 4.320 18.818 ( 0.330 0.190 -0.599) 0.710 18.911 ( 3.534 2.041 -0.963) 4.193 38.570 ( -3.150 -1.819 -1.201) 3.831 65.159 ( -47.307 -27.313 26.291) 60.623 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 14.362 8.292 4.896) 17.292 2.210 ( 20.295 11.717 14.415) 27.513 3.898 ( 3.282 1.895 20.493) 20.840 4.653 ( -2.675 -1.544 -3.249) 4.482 6.762 ( 31.618 18.254 -22.104) 42.679 6.937 ( 9.570 5.525 20.704) 23.468 7.381 ( 11.732 6.774 1.807) 13.667 9.397 ( -0.575 -0.332 -3.136) 3.206 18.826 ( 0.590 0.341 -0.444) 0.813 18.993 ( 4.099 2.366 -0.753) 4.792 38.516 ( -1.683 -0.972 2.264) 2.984 64.167 ( -51.907 -29.969 32.201) 68.040 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 13.479 7.782 3.364) 15.924 2.632 ( 12.179 7.031 14.241) 20.014 4.053 ( 6.372 3.679 4.735) 8.750 4.618 ( 0.057 0.033 0.041) 0.078 7.135 ( 1.403 0.810 18.758) 18.828 7.384 ( 30.174 17.421 -20.976) 40.669 7.628 ( 10.143 5.856 -0.571) 11.726 9.439 ( 6.450 3.724 -4.040) 8.473 18.840 ( 0.770 0.444 -0.208) 0.913 19.083 ( 4.094 2.364 -0.275) 4.735 38.516 ( 0.078 0.045 5.810) 5.811 63.142 ( -51.576 -29.777 31.275) 67.267 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 11.451 6.611 1.895) 13.357 2.862 ( 4.108 2.372 11.472) 12.414 4.226 ( 9.643 5.568 -7.953) 13.684 4.651 ( 2.143 1.237 3.709) 4.458 7.106 ( -9.798 -5.657 14.383) 18.300 7.822 ( 7.903 4.563 -2.844) 9.559 7.920 ( 25.517 14.732 -23.305) 37.566 9.667 ( 14.350 8.285 1.504) 16.638 18.858 ( 0.837 0.483 0.056) 0.968 19.169 ( 3.587 2.071 0.262) 4.150 38.560 ( 1.150 0.664 8.389) 8.494 62.149 ( -48.089 -27.764 26.801) 61.658 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 8.424 4.864 0.377) 9.735 2.928 ( -0.747 -0.431 5.741) 5.805 4.402 ( 10.165 5.869 -16.196) 20.001 4.738 ( 3.523 2.034 7.586) 8.608 6.853 ( -15.867 -9.161 7.992) 19.989 7.952 ( 5.176 2.988 -4.959) 7.766 8.316 ( 18.176 10.494 -20.551) 29.374 10.048 ( 17.040 9.838 7.848) 21.184 18.877 ( 0.779 0.450 0.291) 0.946 19.241 ( 2.675 1.544 0.731) 3.174 38.624 ( 1.216 0.702 9.012) 9.121 61.244 ( -41.776 -24.119 21.465) 52.799 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 4.690 2.708 -1.002) 5.508 2.893 ( -3.089 -1.783 -1.258) 3.782 4.531 ( 8.062 4.655 -21.104) 23.066 4.863 ( 4.134 2.387 11.202) 12.177 6.523 ( -15.878 -9.167 9.672) 20.729 8.010 ( 2.133 1.231 -6.859) 7.287 8.565 ( 10.912 6.300 -15.329) 19.843 10.435 ( 13.414 7.744 10.680) 18.814 18.894 ( 0.604 0.349 0.458) 0.835 19.292 ( 1.515 0.875 1.080) 2.056 38.678 ( 0.501 0.289 7.268) 7.291 60.490 ( -32.810 -18.943 17.219) 41.616 ======================= Grid point 1242 (388/489) ======================= q-point: (-0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 0.674 0.389 -1.933) 2.084 2.782 ( -5.284 -3.051 -8.039) 10.093 4.591 ( 5.459 3.152 -22.139) 23.019 5.006 ( 3.959 2.286 14.040) 14.765 6.270 ( -11.709 -6.760 20.295) 24.386 7.990 ( -1.069 -0.617 -8.529) 8.618 8.682 ( 4.430 2.558 -10.098) 11.320 10.696 ( 5.705 3.294 10.879) 12.718 18.906 ( 0.344 0.199 0.540) 0.671 19.317 ( 0.289 0.167 1.275) 1.318 38.701 ( -0.462 -0.267 3.565) 3.605 59.947 ( -21.669 -12.510 15.468) 29.416 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -3.241 -1.871 -2.224) 4.353 2.595 ( -7.770 -4.486 -11.496) 14.583 4.600 ( 2.911 1.681 -19.467) 19.755 5.146 ( 3.186 1.840 15.849) 16.271 6.181 ( -6.235 -3.600 34.203) 34.952 7.893 ( -4.293 -2.478 -10.009) 11.170 8.686 ( -1.049 -0.606 -5.663) 5.791 10.761 ( -3.827 -2.209 9.593) 10.562 18.913 ( 0.044 0.025 0.549) 0.551 19.315 ( -0.837 -0.483 1.262) 1.589 38.687 ( -1.128 -0.651 -1.059) 1.679 59.668 ( -9.180 -5.300 17.171) 20.179 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -0.000 9.895 11.404) 15.099 1.109 ( -0.000 28.603 11.054) 30.665 3.712 ( -0.000 -0.984 45.022) 45.033 5.095 ( 0.000 6.785 -9.578) 11.738 5.414 ( 0.000 13.780 -14.997) 20.367 6.369 ( -0.000 -8.335 12.282) 14.843 6.934 ( -0.000 25.097 5.590) 25.712 9.538 ( 0.000 -4.479 -0.491) 4.506 18.827 ( 0.000 0.675 -0.445) 0.808 18.833 ( 0.000 1.952 -0.846) 2.127 38.636 ( 0.000 -3.053 -3.477) 4.627 66.037 ( -0.000 -33.786 10.440) 35.362 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 9.847 12.277 8.435) 17.856 1.553 ( 13.090 27.028 11.813) 32.271 3.859 ( -0.114 -2.748 35.774) 35.879 4.964 ( -14.931 11.328 -7.274) 20.104 5.761 ( 25.377 13.307 -18.208) 33.950 6.465 ( 11.679 -3.393 14.942) 19.266 7.224 ( 1.270 27.891 3.434) 28.130 9.468 ( -2.033 -5.025 -1.275) 5.568 18.823 ( -0.491 1.031 -0.511) 1.251 18.879 ( 2.488 2.507 -0.828) 3.627 38.581 ( -1.494 -2.945 -1.195) 3.511 65.515 ( -23.838 -40.812 18.464) 50.742 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 10.902 14.536 5.715) 19.048 2.087 ( 16.847 19.214 12.826) 28.592 3.945 ( 0.449 -4.249 22.685) 23.084 4.831 ( -12.236 13.250 -3.520) 18.376 6.266 ( 30.674 9.423 -19.779) 37.695 6.774 ( 17.051 1.226 16.780) 23.955 7.522 ( 0.266 28.560 1.481) 28.600 9.381 ( -1.416 -3.373 -4.476) 5.781 18.827 ( -0.059 1.147 -0.386) 1.211 18.952 ( 3.454 2.891 -0.751) 4.566 38.536 ( -1.092 -1.696 2.338) 3.088 64.684 ( -37.065 -42.100 24.944) 61.387 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 9.724 15.664 3.830) 18.830 2.548 ( 13.858 11.024 13.509) 22.272 3.989 ( 3.173 -4.649 7.993) 9.776 4.782 ( -9.322 15.015 0.162) 17.674 6.770 ( 30.562 0.480 -15.216) 34.144 7.142 ( 15.500 5.821 13.306) 21.241 7.772 ( -2.239 25.882 -2.066) 26.061 9.357 ( 3.750 1.709 -7.058) 8.173 18.840 ( 0.232 1.282 -0.173) 1.315 19.039 ( 3.896 2.849 -0.467) 4.849 38.536 ( 0.193 -0.291 6.010) 6.020 63.716 ( -43.004 -40.514 26.316) 64.678 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 7.601 15.428 2.207) 17.339 2.846 ( 6.697 3.335 13.284) 15.246 4.050 ( 8.466 -2.662 -5.532) 10.458 4.803 ( -7.013 15.695 3.151) 17.477 7.055 ( 11.074 -10.968 0.567) 15.597 7.541 ( 20.561 10.329 -2.493) 23.144 7.924 ( -2.521 20.403 -9.834) 22.789 9.520 ( 12.381 8.684 -2.807) 15.381 18.858 ( 0.366 1.396 0.076) 1.445 19.128 ( 3.818 2.435 -0.077) 4.529 38.581 ( 1.204 0.526 8.654) 8.753 62.714 ( -44.038 -37.225 23.844) 62.398 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 4.781 14.008 0.586) 14.813 2.948 ( 0.164 -2.203 9.455) 9.710 4.176 ( 12.222 0.379 -14.661) 19.092 4.868 ( -4.897 14.410 5.869) 16.312 6.966 ( -6.780 -12.363 3.453) 14.517 7.921 ( 10.412 9.345 -4.780) 14.785 8.062 ( 9.826 13.598 -16.732) 23.694 9.880 ( 17.474 10.947 4.461) 21.097 18.878 ( 0.341 1.450 0.302) 1.519 19.209 ( 3.272 1.733 0.321) 3.716 38.646 ( 1.326 0.510 9.306) 9.413 61.752 ( -41.108 -32.487 19.799) 56.011 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 1.440 11.588 -0.961) 11.717 2.914 ( -2.875 -3.957 2.503) 5.495 4.318 ( 11.170 1.913 -20.083) 23.059 4.960 ( -2.399 11.012 9.019) 14.435 6.707 ( -12.478 -8.345 6.366) 16.305 8.026 ( -1.239 9.458 -9.276) 13.305 8.348 ( 15.514 6.074 -11.076) 20.006 10.294 ( 16.687 7.995 8.689) 20.442 18.898 ( 0.174 1.421 0.463) 1.505 19.271 ( 2.371 0.861 0.666) 2.609 38.700 ( 0.584 -0.140 7.606) 7.629 60.906 ( -34.610 -26.406 16.208) 46.453 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -1.983 7.681 -2.400) 8.288 2.812 ( -5.032 -2.360 -4.661) 7.253 4.409 ( 8.156 1.556 -22.042) 23.554 5.072 ( 0.331 6.822 12.411) 14.167 6.498 ( -11.562 -1.483 16.498) 20.201 8.016 ( -3.653 5.391 -10.864) 12.666 8.566 ( 9.197 3.440 -6.311) 11.672 10.622 ( 11.279 2.564 9.811) 15.167 18.914 ( -0.092 1.306 0.543) 1.418 19.308 ( 1.272 -0.049 0.915) 1.568 38.719 ( -0.554 -0.978 3.996) 4.151 60.247 ( -24.999 -19.266 14.608) 34.778 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -4.674 -0.170 -5.806) 7.456 2.680 ( -8.289 4.006 -6.495) 11.267 4.452 ( 6.198 0.443 -19.593) 20.554 5.198 ( 1.909 3.536 15.383) 15.899 6.438 ( -8.635 4.872 28.476) 30.153 7.920 ( -5.664 0.183 -11.610) 12.919 8.672 ( 2.430 2.368 -2.163) 4.024 10.777 ( 2.955 -3.562 9.055) 10.169 18.924 ( -0.404 1.116 0.552) 1.309 19.319 ( 0.134 -0.868 1.009) 1.338 38.696 ( -1.492 -1.548 -0.461) 2.199 59.840 ( -13.020 -11.569 16.012) 23.659 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -0.000 14.307 8.464) 16.623 1.788 ( -0.000 30.735 11.221) 32.719 3.953 ( -0.000 -6.100 29.746) 30.365 5.310 ( 0.000 21.074 -6.695) 22.112 5.500 ( 0.000 9.206 -19.430) 21.501 6.408 ( -0.000 0.573 16.581) 16.591 7.518 ( -0.000 31.951 1.180) 31.973 9.422 ( 0.000 -6.218 -2.435) 6.678 18.839 ( 0.000 0.955 -0.416) 1.041 18.880 ( 0.000 3.582 -0.814) 3.674 38.561 ( 0.000 -2.803 0.326) 2.822 65.347 ( -0.000 -48.522 18.411) 51.898 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 9.291 15.091 6.416) 18.847 2.167 ( 5.934 25.803 11.814) 28.993 3.975 ( -0.797 -8.702 20.055) 21.876 5.221 ( -16.083 18.912 -7.193) 25.847 5.832 ( 22.460 10.555 -16.194) 29.632 6.617 ( 12.485 5.333 16.877) 21.660 7.826 ( -0.695 32.072 -1.258) 32.104 9.340 ( -0.864 -4.870 -5.419) 7.337 18.843 ( -0.365 1.313 -0.396) 1.419 18.933 ( 2.080 3.807 -0.655) 4.387 38.542 ( -0.288 -1.552 3.217) 3.583 64.786 ( -18.039 -50.686 20.904) 57.719 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 11.218 16.632 4.218) 20.501 2.544 ( 7.927 17.049 12.759) 22.722 3.931 ( -0.245 -9.887 8.586) 13.097 5.151 ( -12.806 20.392 -2.907) 24.255 6.250 ( 25.837 5.635 -14.239) 30.034 6.995 ( 15.873 7.325 14.956) 23.006 8.070 ( -3.606 26.896 -5.326) 27.654 9.293 ( 1.996 1.482 -7.927) 8.308 18.852 ( -0.043 1.608 -0.242) 1.627 19.010 ( 2.952 3.648 -0.462) 4.715 38.554 ( 0.388 -0.099 6.422) 6.434 63.987 ( -29.462 -49.278 21.667) 61.366 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 8.670 18.183 2.304) 20.275 2.838 ( 5.859 7.308 14.287) 17.084 3.875 ( 3.902 -8.153 -3.540) 9.707 5.149 ( -10.849 20.430 0.204) 23.133 6.656 ( 23.442 0.304 -9.976) 25.478 7.366 ( 14.149 6.456 10.996) 19.047 8.157 ( -6.704 18.164 -13.393) 23.543 9.419 ( 8.969 11.413 -4.436) 15.178 18.870 ( 0.181 1.860 -0.021) 1.869 19.094 ( 3.286 3.088 -0.216) 4.515 38.602 ( 1.137 0.715 8.709) 8.812 63.068 ( -35.295 -45.627 19.862) 61.009 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 4.575 18.179 0.485) 18.752 2.972 ( -0.069 -1.357 13.738) 13.805 3.907 ( 10.928 -3.343 -13.317) 17.548 5.171 ( -9.306 17.650 1.673) 20.023 6.878 ( 7.127 -4.256 -1.714) 8.476 7.705 ( 16.899 6.566 2.120) 18.253 8.146 ( -4.376 14.446 -17.822) 23.355 9.742 ( 14.195 14.109 1.922) 20.106 18.893 ( 0.200 2.065 0.201) 2.084 19.173 ( 3.168 2.181 0.050) 3.846 38.667 ( 1.247 0.563 9.147) 9.249 62.126 ( -36.372 -40.280 16.588) 56.750 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 0.410 14.832 -1.482) 14.912 2.951 ( -3.743 -3.050 8.157) 9.479 4.042 ( 13.463 -0.081 -17.900) 22.398 5.184 ( -7.054 11.621 2.878) 13.896 6.844 ( -6.612 -0.536 6.278) 9.134 8.062 ( 15.780 8.605 -4.466) 18.520 8.151 ( -0.467 9.132 -14.955) 17.529 10.131 ( 15.687 9.757 6.377) 19.544 18.916 ( 0.020 2.187 0.374) 2.219 19.239 ( 2.668 1.060 0.302) 2.887 38.718 ( 0.552 -0.342 7.443) 7.471 61.246 ( -33.162 -33.539 13.451) 49.046 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -2.930 3.313 -4.038) 5.989 2.907 ( -5.481 7.252 2.080) 9.325 4.175 ( 10.930 0.583 -19.984) 22.785 5.195 ( -2.839 4.653 6.644) 8.593 6.776 ( -10.346 8.487 15.567) 20.527 8.104 ( -4.934 6.935 -14.387) 16.716 8.392 ( 14.310 5.317 -3.050) 15.567 10.471 ( 13.473 2.751 8.280) 16.052 18.937 ( -0.310 2.192 0.476) 2.264 19.283 ( 1.896 -0.107 0.513) 1.967 38.733 ( -0.616 -1.463 4.062) 4.361 60.513 ( -26.093 -25.805 11.887) 38.575 ======================= Grid point 1277 (406/489) ======================= q-point: (-0.24 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -4.553 -2.381 -7.279) 8.909 2.899 ( -8.889 13.389 -0.756) 16.088 4.257 ( 8.178 0.216 -18.544) 20.269 5.248 ( 1.749 0.503 12.628) 12.759 6.799 ( -10.404 15.350 23.479) 29.919 7.983 ( -7.144 0.260 -12.600) 14.487 8.621 ( 7.816 5.790 -1.143) 9.794 10.678 ( 7.925 -4.496 8.187) 12.249 18.951 ( -0.714 2.060 0.508) 2.239 19.303 ( 0.974 -1.143 0.643) 1.634 38.703 ( -1.693 -2.235 0.032) 2.804 60.000 ( -15.802 -17.674 12.892) 26.986 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -0.000 14.845 5.927) 15.984 2.425 ( -0.000 25.198 11.866) 27.852 3.953 ( -0.000 -12.064 14.196) 18.630 5.470 ( 0.000 5.609 -21.197) 21.927 5.747 ( -0.000 26.827 -2.037) 26.904 6.638 ( -0.000 7.587 18.308) 19.818 8.127 ( -0.000 30.603 -5.153) 31.033 9.281 ( 0.000 -2.759 -7.027) 7.549 18.856 ( 0.000 1.094 -0.511) 1.208 18.955 ( -0.000 4.711 -0.400) 4.728 38.549 ( -0.000 -0.567 5.087) 5.118 64.504 ( -0.000 -54.619 19.368) 57.952 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 9.697 14.655 4.466) 18.132 2.708 ( 1.304 19.804 12.759) 23.594 3.860 ( -0.924 -13.801 6.425) 15.251 5.432 ( -2.196 10.462 -15.778) 19.059 6.033 ( 6.327 20.112 -3.052) 21.303 6.902 ( 11.604 8.989 17.044) 22.494 8.331 ( -2.817 21.344 -11.511) 24.413 9.270 ( 1.242 7.095 -7.089) 10.106 18.865 ( 0.105 1.304 -0.483) 1.394 19.012 ( 1.334 4.716 -0.191) 4.904 38.577 ( 0.358 0.582 7.256) 7.288 63.928 ( -14.161 -54.570 18.054) 59.197 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 13.097 15.067 2.709) 20.147 2.937 ( 0.685 11.995 15.068) 19.271 3.729 ( 0.497 -12.521 -2.929) 12.868 5.453 ( -3.927 13.323 -9.595) 16.882 6.346 ( 13.803 14.004 -4.114) 20.089 7.258 ( 12.672 6.589 15.308) 20.936 8.339 ( -5.700 10.660 -19.704) 23.116 9.428 ( 4.833 18.841 -3.792) 19.817 18.882 ( 0.430 1.634 -0.316) 1.719 19.083 ( 1.958 4.115 -0.039) 4.557 38.629 ( 0.871 1.132 8.690) 8.806 63.164 ( -23.637 -51.544 15.701) 58.839 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 10.247 15.101 0.859) 18.269 3.061 ( -2.683 2.420 17.790) 18.153 3.657 ( 6.841 -6.264 -12.598) 15.645 5.454 ( -6.586 11.131 -6.357) 14.411 6.702 ( 14.143 11.365 -2.083) 18.262 7.552 ( 10.909 3.217 11.842) 16.419 8.256 ( -4.051 9.782 -22.943) 25.268 9.722 ( 7.867 19.952 -0.139) 21.447 18.907 ( 0.579 1.990 -0.093) 2.074 19.153 ( 2.159 3.048 0.078) 3.736 38.690 ( 0.955 0.735 8.594) 8.678 62.310 ( -28.434 -46.269 12.506) 55.729 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 3.062 8.243 -0.658) 8.818 3.069 ( -4.592 3.428 13.118) 14.315 3.741 ( 13.037 -1.058 -15.456) 20.248 5.391 ( -7.400 5.027 -4.821) 10.162 6.969 ( 2.537 13.118 5.972) 14.634 7.828 ( 15.427 3.739 4.332) 16.454 8.219 ( -2.010 9.777 -20.155) 22.491 10.044 ( 9.968 13.874 3.159) 17.373 18.937 ( 0.437 2.328 0.124) 2.372 19.211 ( 2.059 1.655 0.165) 2.647 38.736 ( 0.365 -0.416 6.763) 6.786 61.460 ( -28.720 -39.297 9.481) 49.588 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -2.666 -3.148 -1.869) 4.529 3.130 ( -4.868 15.144 6.115) 17.042 3.900 ( 13.339 0.047 -16.122) 20.925 5.291 ( -4.761 -0.833 -0.077) 4.834 7.120 ( -6.651 19.130 14.264) 24.772 8.131 ( 8.200 -1.081 1.016) 8.333 8.213 ( 5.899 12.261 -17.753) 22.368 10.327 ( 10.528 4.958 5.526) 12.882 18.966 ( 0.015 2.585 0.295) 2.602 19.253 ( 1.743 0.144 0.231) 1.765 38.744 ( -0.700 -1.759 3.662) 4.122 60.704 ( -24.762 -31.228 7.788) 40.608 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -3.745 -3.004 -4.946) 6.893 3.199 ( -8.293 16.935 3.238) 19.133 4.037 ( 10.376 0.762 -16.077) 19.150 5.250 ( 1.001 -3.672 8.343) 9.170 7.250 ( -10.218 23.201 18.087) 31.142 8.048 ( -6.411 -2.021 -7.963) 10.421 8.503 ( 13.526 8.935 -5.461) 17.105 10.519 ( 8.738 -4.100 6.482) 11.627 18.988 ( -0.593 2.672 0.402) 2.766 19.274 ( 1.285 -1.228 0.285) 1.800 38.709 ( -1.767 -2.680 0.225) 3.219 60.124 ( -17.031 -22.801 8.321) 29.651 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -0.000 13.553 4.057) 14.147 2.938 ( -0.000 17.191 14.181) 22.285 3.742 ( 0.000 -15.787 1.951) 15.907 5.398 ( 0.000 5.302 -21.464) 22.109 6.259 ( -0.000 24.735 2.699) 24.882 6.959 ( -0.000 9.689 18.321) 20.725 8.444 ( 0.000 9.488 -19.184) 21.402 9.361 ( 0.000 19.647 -4.915) 20.252 18.872 ( 0.000 1.108 -0.659) 1.289 19.051 ( -0.000 5.210 0.111) 5.211 38.614 ( -0.000 1.285 8.159) 8.259 63.575 ( -0.000 -56.077 14.924) 58.029 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 10.031 12.651 3.068) 16.434 3.131 ( -1.392 10.900 18.132) 21.202 3.585 ( -0.252 -13.783 -5.355) 14.789 5.425 ( 6.143 5.635 -19.776) 21.461 6.461 ( -1.999 20.600 4.028) 21.086 7.209 ( 8.827 7.998 17.176) 20.902 8.387 ( -2.665 4.216 -24.154) 24.663 9.586 ( 1.330 26.678 -3.786) 26.978 18.885 ( 0.532 1.203 -0.636) 1.461 19.107 ( 0.620 4.909 0.276) 4.956 38.665 ( 0.429 1.436 8.467) 8.598 62.998 ( -11.246 -54.202 11.592) 56.557 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 13.981 11.435 1.882) 18.160 3.214 ( -3.802 -3.978 22.913) 23.565 3.479 ( 2.556 -0.294 -13.787) 14.025 5.496 ( 3.868 3.826 -15.876) 16.782 6.682 ( 5.867 17.962 2.287) 19.034 7.484 ( 8.449 3.843 16.361) 18.810 8.289 ( -2.591 6.928 -24.774) 25.854 9.856 ( 2.072 25.207 -2.861) 25.454 18.908 ( 1.059 1.442 -0.487) 1.855 19.163 ( 0.784 3.990 0.325) 4.079 38.718 ( 0.529 0.760 7.650) 7.706 62.282 ( -18.721 -49.554 8.021) 53.576 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 7.508 4.657 1.665) 8.991 3.188 ( 1.312 -3.138 11.845) 12.323 3.536 ( 4.221 5.885 -7.923) 10.734 5.467 ( -2.795 -0.114 -11.357) 11.697 7.019 ( 12.063 17.987 0.993) 21.680 7.705 ( 7.621 3.151 14.706) 16.860 8.241 ( -1.287 8.374 -21.564) 23.168 10.101 ( 2.739 18.649 -1.227) 18.889 18.942 ( 1.294 1.778 -0.279) 2.217 19.209 ( 0.710 2.592 0.281) 2.702 38.753 ( 0.080 -0.556 5.634) 5.662 61.517 ( -22.076 -42.808 4.815) 48.405 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -1.692 -5.212 1.159) 5.601 3.345 ( 3.419 13.715 6.458) 15.540 3.642 ( 8.284 1.553 -8.096) 11.687 5.339 ( -5.055 -3.510 -5.461) 8.228 7.390 ( 7.115 21.122 4.927) 22.827 7.950 ( 11.365 3.716 12.407) 17.231 8.208 ( -1.203 6.107 -19.851) 20.804 10.288 ( 3.527 9.150 0.823) 9.841 18.981 ( 1.101 2.187 -0.051) 2.449 19.238 ( 0.569 0.887 0.174) 1.068 38.752 ( -0.804 -1.977 2.861) 3.570 60.793 ( -21.269 -34.737 2.846) 40.830 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -2.759 -3.553 -1.706) 4.811 3.508 ( -6.140 16.964 7.485) 19.532 3.793 ( 13.150 0.987 -12.066) 17.874 5.229 ( -1.463 -5.345 2.945) 6.275 7.664 ( -3.556 21.731 8.099) 23.462 8.095 ( -2.795 -1.956 4.486) 5.635 8.307 ( 15.192 10.252 -11.492) 21.632 10.397 ( 4.112 -1.341 2.681) 5.089 19.018 ( 0.434 2.610 0.169) 2.651 19.247 ( 0.519 -0.886 0.057) 1.028 38.712 ( -1.750 -2.913 0.116) 3.400 60.191 ( -16.527 -26.230 2.871) 31.135 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -0.000 11.257 2.933) 11.632 3.286 ( -0.000 -6.405 26.967) 27.718 3.457 ( 0.000 0.646 -13.620) 13.636 5.334 ( 0.000 5.999 -21.170) 22.004 6.676 ( -0.000 13.891 4.366) 14.561 7.284 ( -0.000 8.683 17.350) 19.401 8.345 ( 0.000 4.831 -24.948) 25.412 9.834 ( -0.000 29.182 -4.845) 29.581 18.887 ( 0.000 1.032 -0.759) 1.281 19.152 ( -0.000 4.945 0.458) 4.966 38.708 ( -0.000 1.242 7.741) 7.840 62.607 ( 0.000 -53.483 7.463) 54.001 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 9.853 9.725 2.375) 14.046 3.186 ( -0.786 -19.702 10.730) 22.448 3.533 ( -1.046 13.430 2.747) 13.748 5.363 ( 5.861 4.977 -19.725) 21.170 6.786 ( 0.500 8.777 1.983) 9.013 7.481 ( 5.481 6.197 16.878) 18.797 8.302 ( -1.556 9.364 -22.487) 24.408 10.083 ( -0.436 26.881 -5.432) 27.428 18.901 ( 0.834 1.048 -0.718) 1.520 19.200 ( 0.034 4.306 0.477) 4.333 38.747 ( 0.142 0.391 6.297) 6.311 62.054 ( -8.790 -49.718 3.410) 50.605 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 11.459 5.634 2.399) 12.992 3.060 ( 3.680 -13.269 3.778) 14.279 3.647 ( -2.613 11.663 8.003) 14.384 5.409 ( 3.001 1.389 -15.663) 16.008 6.941 ( 10.256 7.834 -3.527) 13.379 7.707 ( 6.718 5.254 18.233) 20.129 8.285 ( -2.946 11.253 -18.422) 21.787 10.278 ( -1.653 21.103 -5.113) 21.777 18.929 ( 1.591 1.166 -0.589) 2.058 19.236 ( -0.263 3.162 0.367) 3.194 38.767 ( -0.169 -0.918 4.208) 4.311 61.413 ( -14.332 -43.533 -0.109) 45.832 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 0.140 -5.326 3.701) 6.487 3.191 ( 17.248 1.631 -3.000) 17.583 3.732 ( -4.384 10.408 10.272) 15.266 5.349 ( -2.967 -2.001 -9.673) 10.313 7.257 ( 20.318 8.704 -8.598) 23.717 7.957 ( 7.165 5.476 20.897) 22.760 8.254 ( -5.158 10.319 -15.221) 19.099 10.386 ( -2.808 12.783 -4.089) 13.711 18.970 ( 2.042 1.367 -0.405) 2.490 19.253 ( -0.684 1.676 0.168) 1.818 38.755 ( -0.861 -2.211 1.872) 3.023 60.766 ( -16.238 -35.772 -2.415) 39.359 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -0.000 8.257 2.438) 8.610 3.038 ( -0.000 -18.347 6.523) 19.472 3.697 ( -0.000 11.712 10.958) 16.039 5.285 ( 0.000 6.339 -20.409) 21.371 6.823 ( 0.000 0.457 -0.970) 1.072 7.560 ( -0.000 5.939 15.592) 16.685 8.343 ( 0.000 13.083 -17.835) 22.119 10.317 ( 0.000 25.013 -6.916) 25.952 18.899 ( 0.000 0.888 -0.761) 1.170 19.242 ( -0.000 3.913 0.439) 3.937 38.769 ( -0.000 -0.434 4.584) 4.605 61.663 ( 0.000 -46.825 -1.034) 46.837 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 8.841 5.964 2.348) 10.920 2.905 ( 0.913 -14.474 5.482) 15.504 3.840 ( -1.778 10.439 14.169) 17.688 5.303 ( 3.969 4.856 -18.442) 19.479 6.829 ( 4.378 -0.964 -6.065) 7.542 7.716 ( 5.223 4.043 15.519) 16.866 8.393 ( -2.386 13.671 -13.028) 19.035 10.491 ( -2.227 20.318 -7.346) 21.719 18.913 ( 1.025 0.836 -0.700) 1.497 19.274 ( -0.410 3.007 0.253) 3.045 38.773 ( -0.228 -1.517 2.701) 3.107 61.167 ( -6.640 -41.357 -4.860) 42.168 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 3.323 -3.031 5.030) 6.748 2.917 ( 12.819 -2.982 0.544) 13.173 3.952 ( -3.577 9.618 15.736) 18.787 5.318 ( 0.889 1.670 -13.576) 13.707 6.949 ( 15.254 1.151 -12.873) 19.993 7.923 ( 8.073 0.926 15.885) 17.843 8.418 ( -4.441 13.088 -7.741) 15.841 10.564 ( -5.173 13.549 -7.081) 16.139 18.944 ( 1.950 0.824 -0.581) 2.195 19.286 ( -1.038 1.797 -0.016) 2.075 38.752 ( -0.779 -2.463 0.974) 2.761 60.631 ( -10.485 -34.125 -7.476) 36.474 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -0.000 4.668 2.312) 5.210 2.794 ( -0.000 -12.716 7.801) 14.918 4.014 ( -0.000 9.375 17.358) 19.728 5.244 ( 0.000 5.933 -19.230) 20.124 6.735 ( 0.000 -3.981 -9.562) 10.358 7.758 ( -0.000 2.362 13.488) 13.693 8.497 ( 0.000 12.264 -8.778) 15.082 10.660 ( 0.000 16.718 -8.243) 18.640 18.909 ( 0.000 0.672 -0.694) 0.965 19.305 ( -0.000 2.306 -0.016) 2.306 38.765 ( -0.000 -2.184 1.359) 2.572 60.815 ( 0.000 -36.606 -8.943) 37.683 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 5.949 0.896 3.404) 6.912 2.740 ( 3.850 -8.028 6.945) 11.292 4.156 ( -2.094 8.453 18.770) 20.692 5.251 ( 2.753 4.475 -16.835) 17.636 6.696 ( 6.708 -3.296 -15.965) 17.628 7.870 ( 5.099 -0.273 13.188) 14.142 8.557 ( -1.846 9.719 -4.728) 10.965 10.732 ( -3.722 11.150 -8.393) 14.444 18.921 ( 1.131 0.552 -0.628) 1.407 19.316 ( -0.697 1.313 -0.349) 1.527 38.741 ( -0.491 -2.628 0.401) 2.704 60.409 ( -4.839 -30.000 -11.796) 32.596 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -0.000 0.605 2.297) 2.375 2.668 ( -0.000 -8.796 10.575) 13.755 4.331 ( -0.000 7.382 20.092) 21.405 5.199 ( 0.000 4.926 -17.674) 18.348 6.526 ( 0.000 -5.229 -21.129) 21.766 7.868 ( -0.000 -1.408 11.520) 11.606 8.630 ( 0.000 5.530 -1.544) 5.741 10.816 ( 0.000 6.479 -8.913) 11.019 18.914 ( 0.000 0.381 -0.615) 0.723 19.329 ( 0.000 0.520 -0.720) 0.888 38.722 ( 0.000 -2.541 0.250) 2.553 60.132 ( 0.000 -24.006 -14.813) 28.208 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -0.000 0.000 11.653) 11.653 0.810 ( -0.000 0.000 11.653) 11.653 3.911 ( -0.000 0.000 45.035) 45.035 5.110 ( 0.000 -0.000 -10.579) 10.579 5.110 ( 0.000 -0.000 -10.579) 10.579 6.602 ( -0.000 0.000 7.852) 7.852 6.602 ( -0.000 0.000 7.852) 7.852 9.576 ( 0.000 -0.000 -1.810) 1.810 18.815 ( 0.000 -0.000 -0.517) 0.517 18.815 ( 0.000 -0.000 -0.517) 0.517 38.649 ( 0.000 -0.000 -4.324) 4.324 66.385 ( -0.000 0.000 2.189) 2.189 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 8.921 5.151 9.042) 13.707 1.165 ( 23.799 13.741 10.963) 29.587 4.057 ( -2.340 -1.351 38.642) 38.736 4.870 ( -7.864 -4.540 -6.478) 11.155 5.433 ( 22.002 12.703 -14.957) 29.482 6.574 ( 3.671 2.119 11.445) 12.205 6.863 ( 11.283 6.514 4.056) 13.645 9.529 ( -3.259 -1.881 -2.414) 4.470 18.810 ( 0.023 0.014 -0.474) 0.475 18.841 ( 2.142 1.237 -0.584) 2.541 38.612 ( -1.732 -1.000 -2.770) 3.417 66.107 ( -25.057 -14.467 7.354) 29.853 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 12.589 7.268 6.325) 15.853 1.786 ( 26.234 15.146 10.773) 32.151 4.120 ( -4.039 -2.332 28.000) 28.386 4.712 ( -4.717 -2.723 -2.578) 6.026 5.922 ( 27.729 16.009 -19.599) 37.541 6.825 ( 12.628 7.291 16.353) 21.910 7.129 ( 11.640 6.720 0.712) 13.459 9.423 ( -4.518 -2.609 -5.173) 7.347 18.812 ( 0.363 0.209 -0.317) 0.525 18.901 ( 3.480 2.009 -0.685) 4.077 38.568 ( -1.483 -0.856 0.710) 1.854 65.407 ( -40.678 -23.485 15.476) 49.455 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 13.513 7.802 4.265) 16.176 2.365 ( 21.210 12.246 11.090) 26.886 4.113 ( -4.036 -2.330 14.694) 15.415 4.640 ( -1.580 -0.912 1.279) 2.228 6.484 ( 30.159 17.412 -23.025) 41.748 7.192 ( 11.707 6.759 21.204) 25.146 7.379 ( 11.045 6.377 -2.261) 12.953 9.318 ( -1.190 -0.687 -9.239) 9.341 18.823 ( 0.652 0.377 -0.078) 0.757 18.985 ( 4.217 2.434 -0.625) 4.909 38.561 ( -0.033 -0.019 4.678) 4.678 64.479 ( -48.477 -27.988 19.934) 59.420 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 12.766 7.371 2.526) 14.956 2.792 ( 12.537 7.238 12.078) 18.853 4.080 ( -0.944 -0.545 -0.390) 1.158 4.649 ( 1.176 0.679 5.251) 5.424 7.020 ( 24.059 13.890 -25.228) 37.526 7.455 ( 4.996 2.884 20.642) 21.433 7.595 ( 9.617 5.552 -4.887) 12.132 9.361 ( 9.481 5.474 -7.714) 13.393 18.840 ( 0.842 0.486 0.187) 0.990 19.079 ( 4.334 2.502 -0.412) 5.022 38.602 ( 1.262 0.729 7.686) 7.823 63.452 ( -50.746 -29.298 20.068) 61.938 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 10.769 6.218 0.863) 12.465 3.002 ( 2.006 1.158 11.632) 11.861 4.093 ( 4.961 2.864 -14.057) 15.179 4.730 ( 3.284 1.896 9.285) 10.030 7.142 ( -5.670 -3.273 -9.992) 11.946 7.759 ( 18.751 10.826 -0.478) 21.657 7.762 ( 7.511 4.336 -7.146) 11.238 9.676 ( 18.895 10.909 0.847) 21.834 18.861 ( 0.898 0.519 0.417) 1.118 19.170 ( 3.880 2.240 -0.111) 4.482 38.669 ( 1.524 0.880 8.670) 8.847 62.418 ( -48.618 -28.070 17.690) 58.860 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 7.812 4.510 -0.665) 9.045 2.997 ( -4.775 -2.757 5.417) 7.729 4.173 ( 8.103 4.678 -21.116) 23.096 4.863 ( 4.546 2.625 13.015) 14.033 6.880 ( -12.863 -7.426 -2.436) 15.051 7.868 ( 4.900 2.829 -9.000) 10.631 8.159 ( 17.061 9.850 -5.054) 20.339 10.136 ( 19.608 11.321 7.066) 23.718 18.882 ( 0.815 0.471 0.570) 1.100 19.247 ( 2.969 1.714 0.219) 3.435 38.728 ( 0.651 0.376 7.257) 7.296 61.465 ( -42.566 -24.576 14.947) 51.374 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 4.264 2.462 -1.797) 5.241 2.863 ( -7.066 -4.079 -3.816) 9.007 4.261 ( 7.601 4.388 -22.351) 24.012 5.028 ( 4.848 2.799 15.926) 16.882 6.627 ( -9.972 -5.757 8.254) 14.167 7.905 ( 1.944 1.123 -10.443) 10.681 8.457 ( 11.082 6.398 -2.518) 13.042 10.554 ( 14.260 8.233 9.208) 18.866 18.900 ( 0.612 0.354 0.630) 0.947 19.302 ( 1.765 1.019 0.521) 2.104 38.749 ( -0.842 -0.486 3.913) 4.032 60.678 ( -33.044 -19.078 13.597) 40.507 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -0.000 8.761 9.827) 13.166 1.232 ( -0.000 28.605 9.135) 30.028 4.198 ( -0.000 -4.921 34.760) 35.106 5.001 ( 0.000 7.434 -5.804) 9.431 5.235 ( 0.000 10.592 -14.337) 17.825 6.513 ( -0.000 -5.162 11.418) 12.530 6.985 ( -0.000 23.290 2.861) 23.465 9.516 ( 0.000 -4.258 -2.882) 5.142 18.821 ( 0.000 0.709 -0.468) 0.850 18.825 ( 0.000 1.781 -0.491) 1.847 38.600 ( 0.000 -1.594 -2.369) 2.855 66.135 ( -0.000 -26.962 6.172) 27.659 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 8.296 11.552 7.166) 15.925 1.679 ( 13.965 27.519 8.975) 32.138 4.238 ( -2.632 -7.867 26.527) 27.794 4.900 ( -12.993 10.890 -3.196) 17.252 5.546 ( 23.418 11.839 -16.756) 31.134 6.643 ( 12.403 -0.851 14.152) 18.838 7.248 ( 1.332 26.529 0.483) 26.567 9.427 ( -2.862 -5.577 -5.085) 8.071 18.818 ( -0.443 1.041 -0.323) 1.177 18.870 ( 2.431 2.434 -0.564) 3.486 38.576 ( -0.494 -1.098 0.227) 1.225 65.688 ( -20.425 -34.982 10.620) 41.877 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 9.864 14.006 4.609) 17.740 2.221 ( 17.652 20.054 9.163) 28.244 4.181 ( -4.023 -9.875 16.217) 19.408 4.815 ( -10.167 12.826 0.891) 16.391 6.022 ( 28.907 10.875 -19.581) 36.569 6.974 ( 17.820 1.402 15.397) 23.592 7.528 ( 0.724 26.879 -0.294) 26.891 9.294 ( -2.789 -4.148 -9.037) 10.328 18.825 ( 0.035 1.140 -0.086) 1.144 18.944 ( 3.459 2.943 -0.606) 4.582 38.575 ( 0.290 0.046 3.748) 3.759 64.920 ( -34.040 -38.765 14.608) 53.618 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 9.007 15.181 2.648) 17.849 2.692 ( 14.852 12.249 10.066) 21.724 4.063 ( -2.948 -10.073 4.199) 11.304 4.811 ( -7.572 14.324 4.565) 16.833 6.532 ( 30.498 6.961 -20.931) 37.639 7.330 ( 14.479 2.588 13.894) 20.233 7.745 ( -3.167 20.438 -1.463) 20.734 9.249 ( 4.917 3.358 -9.546) 11.251 18.840 ( 0.344 1.263 0.183) 1.321 19.033 ( 3.999 2.992 -0.543) 5.023 38.616 ( 1.357 0.991 6.589) 6.799 63.968 ( -41.499 -39.327 15.646) 59.275 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 6.977 14.959 0.939) 16.533 3.002 ( 6.480 4.061 12.355) 14.530 3.957 ( 2.458 -6.467 -9.992) 12.153 4.869 ( -5.112 14.180 7.958) 17.045 6.918 ( 18.636 -1.643 -18.355) 26.209 7.623 ( 11.577 5.168 11.503) 17.119 7.804 ( -4.162 13.448 -9.249) 16.844 9.486 ( 16.359 12.046 -1.847) 20.399 18.861 ( 0.469 1.363 0.422) 1.502 19.126 ( 4.001 2.620 -0.380) 4.798 38.684 ( 1.717 1.151 7.573) 7.850 62.943 ( -43.675 -37.304 14.256) 59.181 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 4.215 13.547 -0.588) 14.199 3.066 ( -3.779 -3.660 9.842) 11.160 3.966 ( 9.210 -0.094 -19.820) 21.856 4.971 ( -2.457 11.857 11.259) 16.535 6.929 ( -2.912 -6.629 -7.606) 10.501 7.845 ( 1.035 9.710 -11.063) 14.756 7.957 ( 15.834 8.412 2.389) 18.088 9.936 ( 20.426 12.658 5.240) 24.595 18.884 ( 0.414 1.404 0.582) 1.575 19.210 ( 3.505 1.921 -0.145) 4.000 38.745 ( 1.000 0.466 6.311) 6.407 61.945 ( -41.084 -33.025 12.106) 54.084 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 1.035 11.032 -1.817) 11.228 2.934 ( -7.925 -5.345 0.212) 9.562 4.062 ( 9.808 2.535 -21.044) 23.356 5.102 ( 0.363 8.055 14.343) 16.455 6.766 ( -8.126 -2.096 4.429) 9.489 7.890 ( -0.290 7.659 -12.969) 15.064 8.298 ( 14.704 5.713 2.289) 15.941 10.395 ( 18.013 8.389 8.188) 21.492 18.905 ( 0.211 1.369 0.646) 1.529 19.275 ( 2.618 1.018 0.119) 2.812 38.769 ( -0.481 -0.684 3.283) 3.388 61.071 ( -34.162 -26.819 10.879) 44.774 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -0.000 13.181 6.831) 14.846 1.903 ( -0.000 31.910 7.590) 32.800 4.265 ( -0.000 -11.674 21.504) 24.469 5.266 ( -0.000 21.372 -0.550) 21.379 5.268 ( 0.000 6.751 -18.579) 19.768 6.605 ( -0.000 3.050 15.692) 15.985 7.511 ( -0.000 30.150 -2.487) 30.252 9.365 ( 0.000 -7.386 -6.276) 9.692 18.833 ( 0.000 0.954 -0.549) 1.100 18.874 ( -0.000 3.543 -0.236) 3.551 38.573 ( -0.000 -0.462 1.528) 1.597 65.518 ( -0.000 -43.056 10.393) 44.293 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 8.432 14.364 4.886) 17.358 2.283 ( 6.479 27.229 7.199) 28.900 4.188 ( -2.871 -14.334 14.917) 20.886 5.139 ( -9.983 14.221 -7.064) 18.756 5.663 ( 17.680 15.078 -10.364) 25.443 6.823 ( 11.832 6.158 16.452) 21.179 7.787 ( -0.163 29.353 -5.121) 29.797 9.248 ( -1.725 -5.917 -8.752) 10.704 18.838 ( -0.199 1.253 -0.390) 1.328 18.928 ( 1.963 3.891 -0.237) 4.365 38.587 ( 0.394 0.691 3.872) 3.952 64.980 ( -16.695 -47.182 11.616) 51.379 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 10.345 16.177 2.820) 19.408 2.669 ( 8.974 19.020 7.617) 22.368 4.025 ( -4.277 -15.477 6.911) 17.481 5.128 ( -8.006 16.903 -1.197) 18.741 6.075 ( 22.679 10.891 -13.004) 28.320 7.189 ( 14.891 7.077 15.558) 22.669 7.983 ( -3.537 20.495 -8.592) 22.503 9.184 ( 2.280 3.417 -8.791) 9.703 18.850 ( 0.163 1.511 -0.100) 1.523 19.005 ( 2.873 3.825 -0.294) 4.792 38.632 ( 1.184 1.586 5.862) 6.187 64.187 ( -28.297 -47.857 11.761) 56.827 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 7.933 17.743 1.012) 19.462 2.990 ( 7.464 10.227 10.348) 16.352 3.828 ( -2.129 -13.596 -4.243) 14.401 5.168 ( -7.519 16.759 3.106) 18.629 6.501 ( 23.075 6.945 -13.268) 27.509 7.537 ( 11.628 5.420 14.999) 19.737 7.977 ( -7.170 10.266 -15.058) 19.584 9.369 ( 11.534 15.019 -2.973) 19.168 18.871 ( 0.380 1.743 0.189) 1.794 19.090 ( 3.279 3.308 -0.303) 4.668 38.697 ( 1.562 1.634 6.357) 6.747 63.250 ( -34.652 -45.634 10.347) 58.226 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 3.952 17.579 -0.540) 18.026 3.141 ( -2.446 -0.820 14.055) 14.290 3.723 ( 7.429 -4.916 -17.297) 19.456 5.215 ( -6.335 12.857 5.993) 15.536 6.806 ( 10.795 4.133 -7.961) 14.036 7.802 ( 9.552 1.944 12.094) 15.533 7.928 ( -1.175 12.551 -17.440) 21.519 9.770 ( 16.989 15.560 2.949) 23.226 18.896 ( 0.360 1.943 0.415) 2.020 19.172 ( 3.240 2.396 -0.249) 4.038 38.756 ( 1.051 0.760 4.976) 5.142 62.276 ( -35.893 -40.936 8.299) 55.072 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -0.178 13.659 -2.025) 13.810 3.040 ( -8.913 -3.454 5.721) 11.140 3.817 ( 12.015 1.328 -18.003) 21.685 5.256 ( -3.388 6.585 9.198) 11.808 6.898 ( -2.762 7.406 3.481) 8.637 7.924 ( 0.781 10.194 -17.027) 19.861 8.119 ( 13.485 4.028 8.230) 16.304 10.208 ( 17.606 9.802 6.188) 21.079 18.922 ( 0.124 2.075 0.546) 2.149 19.239 ( 2.810 1.231 -0.134) 3.071 38.779 ( -0.237 -0.628 2.182) 2.282 61.370 ( -32.279 -34.229 6.968) 47.562 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -0.000 14.140 4.304) 14.780 2.532 ( -0.000 27.381 5.804) 27.989 4.113 ( -0.000 -17.651 12.085) 21.391 5.215 ( 0.000 4.792 -20.405) 20.960 5.760 ( -0.000 27.336 4.124) 27.645 6.857 ( -0.000 8.332 17.510) 19.391 8.033 ( 0.000 26.183 -10.361) 28.159 9.179 ( 0.000 -2.629 -8.559) 8.954 18.848 ( 0.000 1.078 -0.705) 1.289 18.954 ( -0.000 4.764 0.197) 4.768 38.612 ( -0.000 1.630 4.762) 5.034 64.680 ( 0.000 -52.172 10.098) 53.140 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 9.142 14.236 3.019) 17.186 2.817 ( 1.876 22.882 5.110) 23.521 3.950 ( -2.889 -19.373 8.146) 21.214 5.231 ( 4.883 6.685 -16.844) 18.768 6.035 ( 0.816 24.334 3.734) 24.633 7.113 ( 10.707 9.077 17.023) 22.063 8.159 ( -2.795 13.978 -16.198) 21.577 9.181 ( 1.418 10.097 -6.552) 12.120 18.858 ( 0.298 1.239 -0.604) 1.410 19.013 ( 1.196 4.837 0.260) 4.989 38.657 ( 0.674 2.257 5.474) 5.959 64.088 ( -13.677 -53.615 8.587) 55.994 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 12.283 14.879 1.600) 19.360 3.069 ( 2.702 16.933 5.897) 18.133 3.724 ( -4.223 -18.832 2.200) 19.425 5.333 ( 3.793 7.941 -9.803) 13.173 6.319 ( 7.721 19.635 0.491) 21.104 7.461 ( 12.034 6.643 17.060) 21.909 8.088 ( -5.690 4.828 -20.569) 21.880 9.381 ( 6.118 20.991 -3.402) 22.127 18.878 ( 0.695 1.507 -0.328) 1.692 19.084 ( 1.797 4.302 0.162) 4.665 38.716 ( 1.080 2.079 5.119) 5.629 63.297 ( -23.130 -51.800 6.434) 57.093 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 9.245 15.090 0.270) 17.699 3.262 ( -1.208 8.144 13.845) 16.109 3.505 ( 1.292 -12.125 -11.552) 16.797 5.394 ( -1.396 5.397 -2.939) 6.302 6.671 ( 12.641 17.196 -1.853) 21.422 7.736 ( 7.434 0.663 17.558) 19.078 7.984 ( -2.073 9.168 -21.181) 23.173 9.718 ( 10.221 20.232 -0.292) 22.670 18.907 ( 0.847 1.827 -0.024) 2.014 19.153 ( 2.037 3.251 0.020) 3.836 38.766 ( 0.792 1.037 3.405) 3.646 62.409 ( -27.832 -47.161 4.046) 54.910 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 1.816 9.021 -1.111) 9.269 3.211 ( -8.455 0.539 8.299) 11.860 3.563 ( 11.705 2.326 -12.022) 16.939 5.376 ( -3.236 0.258 3.038) 4.446 7.011 ( 6.642 18.560 1.788) 19.793 7.876 ( 5.651 4.931 -6.423) 9.874 8.053 ( 4.283 6.257 2.513) 7.988 10.078 ( 12.532 13.144 2.434) 18.323 18.939 ( 0.659 2.164 0.233) 2.274 19.212 ( 2.014 1.824 -0.107) 2.719 38.783 ( -0.199 -0.478 0.764) 0.923 61.532 ( -27.664 -40.284 2.392) 48.927 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -0.000 13.283 2.660) 13.546 3.039 ( -0.000 21.683 2.497) 21.826 3.813 ( -0.000 -21.380 9.394) 23.353 5.141 ( 0.000 5.045 -20.317) 20.934 6.330 ( -0.000 24.677 9.076) 26.293 7.176 ( -0.000 9.661 17.082) 19.624 8.192 ( 0.000 4.069 -21.339) 21.724 9.297 ( 0.000 21.355 -4.914) 21.913 18.863 ( 0.000 1.108 -0.826) 1.382 19.055 ( -0.000 5.250 0.574) 5.281 38.697 ( -0.000 2.565 4.931) 5.558 63.698 ( 0.000 -56.003 5.642) 56.286 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 9.631 12.575 1.959) 15.960 3.233 ( 0.214 17.418 -2.356) 17.577 3.625 ( -3.395 -19.964 12.464) 23.779 5.192 ( 8.769 4.818 -18.040) 20.629 6.541 ( -3.637 19.729 9.532) 22.211 7.418 ( 8.849 7.880 16.874) 20.619 8.099 ( -2.679 2.125 -22.382) 22.642 9.532 ( 1.974 26.637 -4.614) 27.105 18.876 ( 0.673 1.181 -0.740) 1.547 19.112 ( 0.521 4.949 0.573) 5.009 38.742 ( 0.459 2.167 3.710) 4.321 63.083 ( -10.994 -54.956 2.589) 56.105 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 13.440 11.647 1.307) 17.833 3.310 ( 1.712 -4.256 -13.729) 14.475 3.487 ( -6.096 1.523 21.202) 22.114 5.324 ( 8.516 1.958 -11.926) 14.784 6.723 ( 2.935 15.987 5.045) 17.019 7.696 ( 8.284 3.135 18.134) 20.181 8.013 ( -2.050 8.340 -20.036) 21.799 9.813 ( 3.687 24.487 -3.887) 25.066 18.902 ( 1.276 1.366 -0.513) 1.938 19.168 ( 0.642 4.047 0.386) 4.116 38.777 ( 0.370 1.056 1.680) 2.018 62.328 ( -18.202 -50.782 -0.324) 53.947 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -0.000 11.317 1.873) 11.471 3.297 ( 0.000 0.031 -12.807) 12.807 3.606 ( -0.000 -3.839 25.193) 25.484 5.086 ( 0.000 5.812 -19.256) 20.114 6.768 ( -0.000 9.725 11.126) 14.777 7.484 ( -0.000 8.370 15.283) 17.425 8.066 ( 0.000 6.038 -20.321) 21.199 9.765 ( 0.000 28.424 -5.932) 29.036 18.877 ( 0.000 1.062 -0.835) 1.351 19.159 ( -0.000 4.883 0.646) 4.926 38.769 ( -0.000 1.688 1.949) 2.578 62.645 ( 0.000 -54.740 -1.167) 54.752 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 9.630 9.914 1.633) 13.917 3.178 ( -0.682 -11.462 -7.747) 13.851 3.709 ( -3.078 8.443 21.219) 23.043 5.141 ( 8.133 4.579 -16.496) 18.954 6.835 ( -1.154 2.297 6.389) 6.887 7.679 ( 6.545 5.879 15.394) 17.730 8.071 ( -1.585 12.707 -14.890) 19.639 10.009 ( 0.271 26.043 -6.447) 26.830 18.892 ( 0.920 1.067 -0.737) 1.590 19.206 ( -0.023 4.202 0.462) 4.227 38.786 ( 0.032 0.688 -0.129) 0.701 62.046 ( -8.471 -51.262 -4.546) 52.156 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -0.000 8.491 1.691) 8.658 3.051 ( 0.000 -11.726 -2.891) 12.078 3.907 ( -0.000 9.295 21.516) 23.438 5.051 ( 0.000 6.076 -17.712) 18.725 6.836 ( -0.000 -7.068 3.166) 7.745 7.734 ( -0.000 5.626 12.850) 14.027 8.182 ( 0.000 16.321 -8.191) 18.261 10.226 ( 0.000 24.363 -7.724) 25.558 18.890 ( 0.000 0.934 -0.746) 1.195 19.247 ( -0.000 3.715 0.251) 3.723 38.786 ( 0.000 0.001 -1.869) 1.869 61.606 ( 0.000 -48.528 -8.244) 49.223 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -0.000 0.000 9.355) 9.355 0.938 ( -0.000 0.000 9.355) 9.355 4.391 ( -0.000 0.000 33.777) 33.777 4.994 ( 0.000 -0.000 -8.445) 8.445 4.994 ( 0.000 -0.000 -8.445) 8.445 6.686 ( -0.000 0.000 5.821) 5.821 6.686 ( -0.000 0.000 5.821) 5.821 9.549 ( 0.000 -0.000 -2.539) 2.539 18.809 ( 0.000 -0.000 -0.404) 0.404 18.809 ( 0.000 -0.000 -0.404) 0.404 38.603 ( 0.000 -0.000 -3.304) 3.304 66.409 ( -0.000 0.000 1.766) 1.766 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 7.766 4.484 7.129) 11.456 1.282 ( 23.777 13.728 8.241) 28.666 4.459 ( -4.912 -2.836 27.303) 27.885 4.812 ( -5.988 -3.457 -2.947) 7.516 5.262 ( 18.909 10.917 -12.908) 25.365 6.707 ( 6.500 3.753 10.474) 12.886 6.893 ( 9.645 5.568 0.877) 11.171 9.490 ( -4.129 -2.384 -3.692) 6.030 18.805 ( 0.069 0.040 -0.224) 0.238 18.834 ( 2.055 1.186 -0.512) 2.427 38.585 ( -0.416 -0.240 -1.668) 1.736 66.177 ( -21.145 -12.208 4.308) 24.793 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 11.632 6.716 4.752) 14.247 1.898 ( 26.732 15.434 7.493) 31.764 4.403 ( -8.269 -4.774 18.356) 20.691 4.708 ( -3.194 -1.844 2.066) 4.227 5.695 ( 25.171 14.532 -17.318) 33.833 7.022 ( 15.629 9.023 15.801) 23.986 7.113 ( 10.467 6.043 -3.314) 12.532 9.345 ( -6.490 -3.747 -7.031) 10.275 18.811 ( 0.434 0.251 0.039) 0.503 18.893 ( 3.435 1.983 -0.656) 4.020 38.583 ( 0.435 0.251 1.486) 1.569 65.551 ( -36.601 -21.132 8.565) 43.122 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 12.772 7.374 2.769) 15.006 2.478 ( 22.219 12.828 7.554) 26.745 4.250 ( -9.956 -5.748 7.643) 13.805 4.688 ( -0.258 -0.149 6.723) 6.729 6.218 ( 28.071 16.207 -20.443) 38.322 7.324 ( 10.249 5.917 -6.775) 13.636 7.445 ( 13.629 7.869 20.274) 25.665 9.195 ( -1.977 -1.141 -9.846) 10.107 18.824 ( 0.728 0.420 0.323) 0.900 18.977 ( 4.268 2.464 -0.723) 4.981 38.619 ( 1.700 0.981 4.361) 4.783 64.664 ( -45.959 -26.535 10.892) 54.175 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 12.111 6.992 1.034) 14.023 2.923 ( 14.247 8.226 9.441) 18.968 4.043 ( -8.354 -4.823 -5.805) 11.258 4.748 ( 2.379 1.373 11.065) 11.401 6.721 ( 23.201 13.395 -22.795) 35.176 7.508 ( 9.129 5.271 -9.521) 14.205 7.703 ( 2.346 1.354 19.820) 20.005 9.279 ( 13.472 7.778 -4.819) 16.286 18.845 ( 0.900 0.520 0.563) 1.182 19.073 ( 4.481 2.587 -0.671) 5.217 38.686 ( 2.282 1.317 5.548) 6.142 63.637 ( -49.699 -28.694 10.722) 58.381 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 10.173 5.873 -0.505) 11.757 3.146 ( 0.650 0.375 12.120) 12.143 3.884 ( 0.321 0.185 -20.274) 20.278 4.877 ( 4.315 2.491 14.869) 15.681 6.947 ( 3.330 1.923 -17.658) 18.072 7.648 ( 7.281 4.204 -11.544) 14.281 7.858 ( 8.925 5.153 13.780) 17.207 9.703 ( 22.549 13.019 3.816) 26.316 18.868 ( 0.925 0.534 0.709) 1.282 19.166 ( 4.096 2.365 -0.502) 4.757 38.753 ( 1.640 0.947 4.557) 4.935 62.581 ( -48.247 -27.855 9.284) 56.479 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.000 8.084 7.072) 10.740 1.327 ( -0.000 28.263 6.389) 28.976 4.546 ( -0.000 -7.953 22.092) 23.480 4.962 ( -0.000 9.509 -0.198) 9.511 5.071 ( 0.000 6.927 -12.534) 14.321 6.644 ( -0.000 -1.615 10.014) 10.143 7.001 ( -0.000 21.069 -0.282) 21.071 9.475 ( 0.000 -5.348 -3.630) 6.464 18.816 ( 0.000 0.662 -0.464) 0.809 18.821 ( -0.000 1.788 -0.167) 1.796 38.578 ( 0.000 -0.063 -1.320) 1.322 66.193 ( 0.000 -23.355 3.497) 23.616 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 7.188 11.072 4.824) 14.054 1.768 ( 14.655 27.486 5.588) 31.646 4.496 ( -4.221 -10.696 15.912) 19.632 4.883 ( -10.235 9.612 0.017) 14.040 5.367 ( 20.213 11.264 -12.033) 26.081 6.802 ( 12.473 1.852 11.665) 17.177 7.237 ( 2.204 24.859 -2.196) 25.053 9.358 ( -4.084 -7.301 -5.549) 10.038 18.815 ( -0.245 0.948 -0.128) 0.988 18.864 ( 2.243 2.516 -0.394) 3.394 38.582 ( 0.490 0.716 0.737) 1.139 65.784 ( -18.473 -31.738 5.528) 37.136 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 9.059 13.592 2.650) 16.548 2.309 ( 18.528 20.372 5.323) 28.047 4.335 ( -7.496 -12.675 8.920) 17.216 4.850 ( -7.215 11.471 4.616) 14.316 5.807 ( 25.804 11.437 -15.393) 32.150 7.120 ( 15.097 4.642 7.229) 17.371 7.532 ( 4.917 23.133 2.149) 23.748 9.186 ( -4.208 -5.378 -7.794) 10.362 18.825 ( 0.228 1.055 0.197) 1.098 18.937 ( 3.329 3.064 -0.561) 4.559 38.618 ( 1.520 1.607 2.908) 3.654 65.050 ( -32.121 -36.784 7.150) 49.355 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 8.399 14.791 0.898) 17.034 2.791 ( 16.616 13.305 6.116) 22.147 4.086 ( -9.072 -13.109 -0.702) 15.958 4.895 ( -4.951 12.750 9.375) 16.582 6.296 ( 27.809 8.867 -17.270) 33.915 7.408 ( 9.661 10.104 -2.512) 14.204 7.787 ( 1.479 8.612 9.888) 13.195 9.153 ( 6.871 5.360 -5.407) 10.256 18.844 ( 0.506 1.181 0.481) 1.372 19.026 ( 3.961 3.147 -0.643) 5.099 38.682 ( 2.209 1.978 3.733) 4.768 64.104 ( -40.302 -38.533 7.027) 56.200 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 6.446 14.624 -0.546) 15.991 3.142 ( 8.854 5.988 10.401) 14.914 3.806 ( -5.645 -9.852 -14.709) 18.582 4.999 ( -2.625 12.049 13.433) 18.235 6.697 ( 19.045 3.580 -16.241) 25.285 7.606 ( 3.383 13.166 -13.288) 19.009 7.858 ( 1.813 -0.911 16.790) 16.912 9.488 ( 19.920 14.344 2.178) 24.643 18.867 ( 0.578 1.283 0.669) 1.558 19.120 ( 4.063 2.790 -0.607) 4.966 38.749 ( 1.902 1.514 2.655) 3.600 63.064 ( -42.924 -37.163 5.702) 57.062 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -0.000 12.538 4.164) 13.212 1.971 ( -0.000 32.125 3.692) 32.337 4.473 ( -0.000 -13.817 12.831) 18.856 5.056 ( 0.000 3.947 -16.128) 16.604 5.294 ( -0.000 21.809 4.962) 22.366 6.785 ( -0.000 5.685 13.832) 14.955 7.456 ( 0.000 27.850 -6.593) 28.620 9.288 ( 0.000 -9.439 -5.544) 10.947 18.826 ( 0.000 0.884 -0.622) 1.081 18.874 ( -0.000 3.610 0.214) 3.616 38.592 ( -0.000 1.584 1.403) 2.116 65.609 ( 0.000 -40.120 4.895) 40.418 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 7.785 14.016 2.576) 16.239 2.343 ( 7.147 27.477 2.681) 28.518 4.334 ( -4.516 -16.243 8.764) 19.001 5.038 ( 0.091 7.602 -9.483) 12.154 5.601 ( 8.190 20.573 0.194) 22.144 7.005 ( 10.540 8.217 13.194) 18.781 7.704 ( 1.650 25.694 -8.354) 27.068 9.154 ( -2.426 -7.105 -5.729) 9.444 18.833 ( 0.130 1.092 -0.396) 1.169 18.927 ( 1.659 4.073 0.121) 4.399 38.627 ( 0.905 2.422 2.349) 3.494 65.078 ( -15.893 -45.371 4.724) 48.306 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 9.604 16.042 0.991) 18.724 2.729 ( 10.468 19.589 2.455) 22.346 4.089 ( -8.074 -17.238 3.019) 19.273 5.118 ( -0.065 11.580 -0.498) 11.591 5.962 ( 15.453 16.045 -5.010) 22.833 7.341 ( 11.923 10.961 7.826) 17.987 7.886 ( -0.119 12.042 -5.643) 13.299 9.104 ( 2.878 5.002 -3.642) 6.824 18.850 ( 0.500 1.320 -0.019) 1.411 19.003 ( 2.595 4.056 -0.111) 4.816 38.684 ( 1.642 2.690 2.341) 3.925 64.280 ( -27.491 -47.213 3.706) 54.759 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 7.251 17.674 -0.328) 19.106 3.079 ( 11.225 12.377 3.814) 17.139 3.772 ( -9.746 -16.117 -4.884) 19.458 5.228 ( -2.301 12.042 6.924) 14.080 6.369 ( 19.188 12.049 -7.814) 23.967 7.631 ( 5.843 14.764 -6.304) 17.084 7.888 ( -1.294 -3.287 7.533) 8.320 9.355 ( 13.991 16.517 0.657) 21.656 18.874 ( 0.656 1.559 0.305) 1.719 19.087 ( 3.099 3.535 -0.297) 4.710 38.743 ( 1.634 2.112 0.859) 2.805 63.324 ( -33.923 -45.700 1.905) 56.947 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -0.000 13.908 1.992) 14.050 2.569 ( -0.000 27.655 0.436) 27.658 4.238 ( -0.000 -18.611 7.951) 20.238 4.984 ( 0.000 3.232 -17.218) 17.518 5.845 ( -0.000 28.224 9.806) 29.879 7.055 ( -0.000 9.535 14.950) 17.732 7.879 ( 0.000 21.493 -14.806) 26.099 9.100 ( 0.000 -2.565 -3.554) 4.383 18.839 ( 0.000 1.020 -0.767) 1.276 18.959 ( -0.000 4.840 0.604) 4.877 38.655 ( -0.000 3.069 2.024) 3.676 64.757 ( 0.000 -51.139 2.826) 51.217 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 8.758 14.248 1.118) 16.761 2.837 ( 2.680 22.841 -1.372) 23.039 4.042 ( -4.984 -19.010 6.216) 20.612 5.039 ( 9.777 4.092 -14.253) 17.762 6.124 ( -3.244 26.616 10.849) 28.925 7.301 ( 9.686 10.623 13.310) 19.592 7.957 ( -1.178 8.426 -16.423) 18.496 9.129 ( 1.549 10.681 -1.476) 10.894 18.851 ( 0.547 1.137 -0.624) 1.407 19.018 ( 0.967 4.949 0.560) 5.074 38.699 ( 0.786 3.146 1.077) 3.417 64.143 ( -13.348 -53.475 0.630) 55.119 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -0.000 13.450 0.835) 13.476 3.016 ( 0.000 19.666 -5.446) 20.406 3.942 ( -0.000 -17.417 10.414) 20.293 4.916 ( 0.000 4.062 -16.470) 16.964 6.483 ( -0.000 25.201 16.224) 29.972 7.365 ( -0.000 10.034 13.834) 17.090 7.941 ( 0.000 1.889 -19.914) 20.003 9.257 ( -0.000 19.735 -1.129) 19.768 18.853 ( 0.000 1.085 -0.798) 1.347 19.064 ( -0.000 5.247 0.771) 5.303 38.724 ( -0.000 3.079 -0.527) 3.124 63.716 ( 0.000 -56.450 -2.525) 56.506 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.000 0.000 6.106) 6.106 1.033 ( -0.000 0.000 6.106) 6.106 4.725 ( -0.000 0.000 21.093) 21.093 4.908 ( 0.000 -0.000 -5.491) 5.491 4.908 ( 0.000 -0.000 -5.491) 5.491 6.743 ( -0.000 0.000 3.568) 3.568 6.743 ( -0.000 0.000 3.568) 3.568 9.518 ( 0.000 -0.000 -2.280) 2.280 18.805 ( 0.000 -0.000 -0.255) 0.255 18.805 ( 0.000 -0.000 -0.255) 0.255 38.570 ( 0.000 -0.000 -2.037) 2.037 66.427 ( -0.000 0.000 1.141) 1.141 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 7.051 4.071 4.178) 9.151 1.362 ( 23.728 13.699 4.781) 27.813 4.709 ( -6.579 -3.798 13.501) 15.491 4.801 ( -3.562 -2.056 1.247) 4.298 5.129 ( 15.672 9.048 -8.601) 20.037 6.825 ( 9.720 5.612 8.785) 14.253 6.884 ( 7.479 4.318 -2.396) 8.962 9.448 ( -5.379 -3.105 -2.969) 6.884 18.804 ( 0.174 0.101 0.043) 0.206 18.828 ( 1.943 1.122 -0.447) 2.288 38.570 ( 0.681 0.393 -0.774) 1.104 66.215 ( -19.163 -11.064 2.138) 22.231 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 10.994 6.347 2.207) 12.885 1.967 ( 27.132 15.665 3.935) 31.575 4.558 ( -10.760 -6.213 7.023) 14.272 4.764 ( -1.282 -0.740 7.234) 7.384 5.510 ( 22.401 12.933 -13.032) 28.963 7.048 ( 8.949 5.167 -7.372) 12.694 7.203 ( 18.736 10.817 13.807) 25.665 9.270 ( -8.458 -4.883 -4.544) 10.771 18.813 ( 0.540 0.312 0.364) 0.722 18.885 ( 3.351 1.935 -0.648) 3.923 38.599 ( 1.861 1.074 0.984) 2.363 65.623 ( -34.468 -19.900 3.619) 39.965 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 12.246 7.070 0.542) 14.151 2.548 ( 23.227 13.410 3.848) 27.095 4.293 ( -14.074 -8.126 -0.656) 16.265 4.804 ( 1.248 0.721 12.361) 12.445 5.998 ( 25.973 14.995 -15.467) 33.744 7.215 ( 9.312 5.376 -11.198) 15.525 7.679 ( 15.647 9.034 18.027) 25.522 9.104 ( -2.272 -1.312 -4.341) 5.072 18.830 ( 0.809 0.467 0.634) 1.129 18.968 ( 4.251 2.454 -0.771) 4.969 38.657 ( 2.755 1.591 1.648) 3.583 64.751 ( -44.559 -25.726 3.741) 51.589 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -0.000 7.753 3.477) 8.497 1.384 ( -0.000 27.819 2.938) 27.974 4.730 ( -0.000 -8.186 8.948) 12.127 4.936 ( 0.000 3.048 -9.552) 10.026 4.996 ( -0.000 11.033 4.887) 12.067 6.754 ( -0.000 2.055 8.022) 8.281 6.978 ( -0.000 18.285 -3.493) 18.616 9.437 ( 0.000 -6.621 -2.269) 6.999 18.810 ( 0.000 0.538 -0.404) 0.673 18.821 ( -0.000 1.904 0.114) 1.908 38.567 ( 0.000 1.049 -0.517) 1.170 66.223 ( 0.000 -21.662 1.477) 21.713 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 6.516 10.885 1.704) 12.801 1.814 ( 15.278 27.187 1.894) 31.243 4.626 ( -5.333 -10.906 5.587) 13.365 4.884 ( -3.560 5.580 -0.195) 6.622 5.268 ( 13.507 13.281 -4.046) 19.370 6.911 ( 8.930 5.355 5.409) 11.733 7.205 ( 6.526 21.872 -2.129) 22.924 9.307 ( -5.001 -8.718 -2.388) 10.330 18.815 ( 0.123 0.742 -0.021) 0.753 18.861 ( 1.880 2.725 -0.152) 3.314 38.590 ( 1.085 1.838 0.366) 2.166 65.827 ( -17.559 -30.324 1.716) 35.083 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 8.519 13.464 0.102) 15.933 2.350 ( 19.460 20.289 1.440) 28.150 4.390 ( -10.326 -13.048 -0.127) 16.640 4.927 ( -1.925 8.640 8.083) 11.988 5.658 ( 21.074 13.107 -8.797) 26.330 7.126 ( 6.998 10.732 -5.803) 14.065 7.598 ( 14.576 16.753 8.197) 23.671 9.126 ( -5.010 -6.027 -1.445) 7.970 18.829 ( 0.524 0.885 0.360) 1.090 18.931 ( 3.056 3.252 -0.414) 4.482 38.639 ( 2.060 2.355 0.416) 3.156 65.099 ( -31.239 -36.042 1.122) 47.709 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -0.000 12.383 0.955) 12.419 1.992 ( -0.000 31.798 -0.198) 31.799 4.575 ( -0.000 -13.638 3.834) 14.167 4.882 ( 0.000 1.120 -12.181) 12.232 5.379 ( -0.000 23.097 8.812) 24.721 6.936 ( -0.000 8.173 10.999) 13.703 7.352 ( 0.000 24.984 -10.574) 27.130 9.247 ( 0.000 -10.565 -0.869) 10.601 18.819 ( 0.000 0.762 -0.570) 0.952 18.878 ( -0.000 3.736 0.515) 3.771 38.603 ( -0.000 2.573 0.285) 2.588 65.641 ( 0.000 -39.122 0.553) 39.126 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.000 0.000 2.128) 2.128 1.084 ( -0.000 0.000 2.128) 2.128 4.863 ( 0.000 -0.000 -1.910) 1.910 4.863 ( 0.000 -0.000 -1.910) 1.910 4.898 ( -0.000 0.000 7.197) 7.197 6.772 ( -0.000 0.000 1.200) 1.200 6.772 ( -0.000 0.000 1.200) 1.200 9.498 ( 0.000 -0.000 -0.923) 0.923 18.803 ( 0.000 -0.000 -0.087) 0.087 18.803 ( 0.000 -0.000 -0.087) 0.087 38.554 ( 0.000 -0.000 -0.684) 0.684 66.436 ( -0.000 0.000 0.394) 0.394 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.72e-04 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 6.720 3.880 0.469) 7.773 1.397 ( 23.813 13.748 0.921) 27.512 4.785 ( -6.401 -3.696 -0.126) 7.393 4.843 ( -0.631 -0.364 5.619) 5.666 5.054 ( 11.577 6.684 -4.585) 14.132 6.836 ( 4.813 2.779 -5.444) 7.779 6.918 ( 12.937 7.469 6.415) 16.258 9.425 ( -6.083 -3.512 -0.496) 7.042 18.806 ( 0.319 0.184 0.264) 0.453 18.823 ( 1.796 1.037 -0.323) 2.099 38.565 ( 1.184 0.684 -0.108) 1.372 66.230 ( -18.445 -10.649 0.309) 21.300 =================== 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 3/58956 10.0 174.893 174.893 110.724 0.000 -0.000 -0.000 3/58956 20.0 175.507 175.507 112.242 0.000 -0.000 -0.000 3/58956 30.0 142.405 142.405 102.256 0.000 -0.000 -0.000 3/58956 40.0 100.659 100.659 82.796 0.000 -0.000 -0.000 3/58956 50.0 70.014 70.014 64.264 0.000 -0.000 -0.000 3/58956 60.0 50.574 50.574 50.250 0.000 -0.000 -0.000 3/58956 70.0 38.381 38.381 40.327 0.000 -0.000 -0.000 3/58956 80.0 30.470 30.470 33.311 0.000 -0.000 -0.000 3/58956 90.0 25.102 25.102 28.239 0.000 -0.000 -0.000 3/58956 100.0 21.295 21.295 24.466 0.000 -0.000 -0.000 3/58956 110.0 18.486 18.486 21.578 0.000 -0.000 -0.000 3/58956 120.0 16.341 16.341 19.307 0.000 -0.000 -0.000 3/58956 130.0 14.656 14.656 17.481 0.000 -0.000 -0.000 3/58956 140.0 13.298 13.298 15.981 0.000 -0.000 -0.000 3/58956 150.0 12.181 12.181 14.727 0.000 -0.000 -0.000 3/58956 160.0 11.246 11.246 13.663 0.000 -0.000 -0.000 3/58956 170.0 10.451 10.451 12.749 0.000 -0.000 -0.000 3/58956 180.0 9.767 9.767 11.955 0.000 -0.000 -0.000 3/58956 190.0 9.171 9.171 11.258 0.000 -0.000 -0.000 3/58956 200.0 8.648 8.648 10.641 0.000 -0.000 -0.000 3/58956 210.0 8.183 8.183 10.090 0.000 -0.000 -0.000 3/58956 220.0 7.769 7.769 9.597 0.000 -0.000 -0.000 3/58956 230.0 7.397 7.397 9.151 0.000 -0.000 -0.000 3/58956 240.0 7.060 7.060 8.747 0.000 -0.000 -0.000 3/58956 250.0 6.754 6.754 8.379 0.000 -0.000 -0.000 3/58956 260.0 6.475 6.475 8.043 0.000 -0.000 -0.000 3/58956 270.0 6.220 6.220 7.734 0.000 -0.000 -0.000 3/58956 280.0 5.985 5.985 7.450 0.000 -0.000 -0.000 3/58956 290.0 5.769 5.769 7.189 0.000 -0.000 -0.000 3/58956 300.0 5.569 5.569 6.946 0.000 -0.000 -0.000 3/58956 310.0 5.384 5.384 6.722 0.000 -0.000 -0.000 3/58956 320.0 5.212 5.212 6.514 0.000 -0.000 -0.000 3/58956 330.0 5.052 5.052 6.321 0.000 -0.000 -0.000 3/58956 340.0 4.903 4.903 6.141 0.000 -0.000 -0.000 3/58956 350.0 4.763 4.763 5.973 0.000 -0.000 -0.000 3/58956 360.0 4.633 4.633 5.816 0.000 -0.000 -0.000 3/58956 370.0 4.511 4.511 5.670 0.000 -0.000 -0.000 3/58956 380.0 4.397 4.397 5.533 0.000 -0.000 -0.000 3/58956 390.0 4.290 4.290 5.406 0.000 -0.000 -0.000 3/58956 400.0 4.189 4.189 5.286 0.000 -0.000 -0.000 3/58956 410.0 4.095 4.095 5.173 0.000 -0.000 -0.000 3/58956 420.0 4.006 4.006 5.068 0.000 -0.000 -0.000 3/58956 430.0 3.922 3.922 4.969 0.000 -0.000 -0.000 3/58956 440.0 3.842 3.842 4.876 0.000 -0.000 -0.000 3/58956 450.0 3.767 3.767 4.788 0.000 -0.000 -0.000 3/58956 460.0 3.696 3.696 4.706 0.000 -0.000 -0.000 3/58956 470.0 3.629 3.629 4.628 0.000 -0.000 -0.000 3/58956 480.0 3.566 3.566 4.555 0.000 -0.000 -0.000 3/58956 490.0 3.505 3.505 4.486 0.000 -0.000 -0.000 3/58956 500.0 3.448 3.448 4.420 0.000 -0.000 -0.000 3/58956 510.0 3.394 3.394 4.358 0.000 -0.000 -0.000 3/58956 520.0 3.342 3.342 4.299 0.000 -0.000 -0.000 3/58956 530.0 3.292 3.292 4.243 0.000 -0.000 -0.000 3/58956 540.0 3.245 3.245 4.190 0.000 -0.000 -0.000 3/58956 550.0 3.200 3.200 4.140 0.000 -0.000 -0.000 3/58956 560.0 3.157 3.157 4.092 0.000 -0.000 -0.000 3/58956 570.0 3.116 3.116 4.046 0.000 -0.000 -0.000 3/58956 580.0 3.077 3.077 4.002 0.000 -0.000 -0.000 3/58956 590.0 3.039 3.039 3.960 0.000 -0.000 -0.000 3/58956 600.0 3.003 3.003 3.920 0.000 -0.000 -0.000 3/58956 610.0 2.968 2.968 3.882 0.000 -0.000 -0.000 3/58956 620.0 2.934 2.934 3.845 0.000 -0.000 -0.000 3/58956 630.0 2.902 2.902 3.810 0.000 -0.000 -0.000 3/58956 640.0 2.871 2.871 3.776 0.000 -0.000 -0.000 3/58956 650.0 2.840 2.840 3.743 0.000 -0.000 -0.000 3/58956 660.0 2.811 2.811 3.711 0.000 -0.000 -0.000 3/58956 670.0 2.783 2.783 3.680 0.000 -0.000 -0.000 3/58956 680.0 2.756 2.756 3.651 0.000 -0.000 -0.000 3/58956 690.0 2.729 2.729 3.622 0.000 -0.000 -0.000 3/58956 700.0 2.704 2.704 3.594 0.000 -0.000 -0.000 3/58956 710.0 2.679 2.679 3.567 0.000 -0.000 -0.000 3/58956 720.0 2.654 2.654 3.541 0.000 -0.000 -0.000 3/58956 730.0 2.631 2.631 3.515 0.000 -0.000 -0.000 3/58956 740.0 2.608 2.608 3.490 0.000 -0.000 -0.000 3/58956 750.0 2.586 2.586 3.466 0.000 -0.000 -0.000 3/58956 760.0 2.564 2.564 3.442 0.000 -0.000 -0.000 3/58956 770.0 2.542 2.542 3.419 0.000 -0.000 -0.000 3/58956 780.0 2.522 2.522 3.396 0.000 -0.000 -0.000 3/58956 790.0 2.501 2.501 3.374 0.000 -0.000 -0.000 3/58956 800.0 2.482 2.482 3.352 0.000 -0.000 -0.000 3/58956 810.0 2.462 2.462 3.331 0.000 -0.000 -0.000 3/58956 820.0 2.443 2.443 3.310 0.000 -0.000 -0.000 3/58956 830.0 2.424 2.424 3.289 0.000 -0.000 -0.000 3/58956 840.0 2.406 2.406 3.269 0.000 -0.000 -0.000 3/58956 850.0 2.388 2.388 3.249 0.000 -0.000 -0.000 3/58956 860.0 2.371 2.371 3.230 0.000 -0.000 -0.000 3/58956 870.0 2.353 2.353 3.210 0.000 -0.000 -0.000 3/58956 880.0 2.336 2.336 3.191 0.000 -0.000 -0.000 3/58956 890.0 2.320 2.320 3.173 0.000 -0.000 -0.000 3/58956 900.0 2.303 2.303 3.154 0.000 -0.000 -0.000 3/58956 910.0 2.287 2.287 3.136 0.000 -0.000 -0.000 3/58956 920.0 2.271 2.271 3.118 0.000 -0.000 -0.000 3/58956 930.0 2.256 2.256 3.101 0.000 -0.000 -0.000 3/58956 940.0 2.240 2.240 3.083 0.000 -0.000 -0.000 3/58956 950.0 2.225 2.225 3.066 0.000 -0.000 -0.000 3/58956 960.0 2.210 2.210 3.049 0.000 -0.000 -0.000 3/58956 970.0 2.195 2.195 3.032 0.000 -0.000 -0.000 3/58956 980.0 2.181 2.181 3.016 0.000 -0.000 -0.000 3/58956 990.0 2.167 2.167 2.999 0.000 -0.000 -0.000 3/58956 1000.0 2.153 2.153 2.983 0.000 -0.000 -0.000 3/58956 Thermal conductivity related properties were written into "kappa-m171717.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:50:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|