----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:42:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.625793404359759 0.938652259653822 6.382978036666660 b -1.625793404359756 0.938652259653822 6.382978036666660 c 0.000000000000002 -1.877304519307648 6.382978036666660 Atomic positions (fractional): *1 O 0.77756826195741 0.77756826195741 0.77756826195741 15.999 2 O 0.22243173804259 0.22243173804259 0.22243173804259 15.999 *3 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 *4 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.251586808719514 0.000000000000000 0.000000000000000 b -1.625793404359757 2.815956778961470 0.000000000000000 c 0.000000000000000 0.000000000000000 19.148934109999999 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.77756826195741 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.88909840470926 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.11090159529074 15.999 > 1 4 O 0.00000000000000 0.00000000000000 0.22243173804259 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.44423492862407 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.55576507137593 15.999 > 2 *7 Sc 0.66666666666667 0.33333333333333 0.83333333333333 44.956 > 3 8 Sc 0.33333333333333 0.66666666666667 0.16666666666667 44.956 > 3 9 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 3 *10 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 4 11 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 4 12 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.754760426158542 0.000000000000000 0.000000000000000 b -4.877380213079271 8.447870336884410 0.000000000000000 c 0.000000000000000 0.000000000000000 19.148934109999999 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.77756826195741 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.77756826195741 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.77756826195741 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.77756826195741 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.77756826195741 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.77756826195741 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.77756826195741 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.77756826195741 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.77756826195741 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.88909840470926 15.999 > 2 11 O 0.44444444444444 0.22222222222222 0.88909840470926 15.999 > 2 12 O 0.77777777777778 0.22222222222222 0.88909840470926 15.999 > 2 13 O 0.11111111111111 0.55555555555556 0.88909840470926 15.999 > 2 14 O 0.44444444444444 0.55555555555556 0.88909840470926 15.999 > 2 15 O 0.77777777777778 0.55555555555556 0.88909840470926 15.999 > 2 16 O 0.11111111111111 0.88888888888889 0.88909840470926 15.999 > 2 17 O 0.44444444444444 0.88888888888889 0.88909840470926 15.999 > 2 18 O 0.77777777777778 0.88888888888889 0.88909840470926 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.11090159529074 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.11090159529074 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.11090159529074 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.11090159529074 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.11090159529074 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.11090159529074 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.11090159529074 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.11090159529074 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.11090159529074 15.999 > 1 28 O 0.00000000000000 0.00000000000000 0.22243173804259 15.999 > 2 29 O 0.33333333333333 0.00000000000000 0.22243173804259 15.999 > 2 30 O 0.66666666666667 0.00000000000000 0.22243173804259 15.999 > 2 31 O 0.00000000000000 0.33333333333333 0.22243173804259 15.999 > 2 32 O 0.33333333333333 0.33333333333333 0.22243173804259 15.999 > 2 33 O 0.66666666666667 0.33333333333333 0.22243173804259 15.999 > 2 34 O 0.00000000000000 0.66666666666667 0.22243173804259 15.999 > 2 35 O 0.33333333333333 0.66666666666667 0.22243173804259 15.999 > 2 36 O 0.66666666666667 0.66666666666667 0.22243173804259 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.44423492862407 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.44423492862407 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.44423492862407 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.44423492862407 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.44423492862407 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.44423492862407 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.44423492862407 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.44423492862407 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.44423492862407 15.999 > 1 46 O 0.22222222222222 0.11111111111111 0.55576507137593 15.999 > 2 47 O 0.55555555555556 0.11111111111111 0.55576507137593 15.999 > 2 48 O 0.88888888888889 0.11111111111111 0.55576507137593 15.999 > 2 49 O 0.22222222222222 0.44444444444444 0.55576507137593 15.999 > 2 50 O 0.55555555555556 0.44444444444444 0.55576507137593 15.999 > 2 51 O 0.88888888888889 0.44444444444444 0.55576507137593 15.999 > 2 52 O 0.22222222222222 0.77777777777778 0.55576507137593 15.999 > 2 53 O 0.55555555555556 0.77777777777778 0.55576507137593 15.999 > 2 54 O 0.88888888888889 0.77777777777778 0.55576507137593 15.999 > 2 *55 Sc 0.22222222222222 0.11111111111111 0.83333333333333 44.956 > 3 56 Sc 0.55555555555556 0.11111111111111 0.83333333333333 44.956 > 3 57 Sc 0.88888888888889 0.11111111111111 0.83333333333333 44.956 > 3 58 Sc 0.22222222222222 0.44444444444444 0.83333333333333 44.956 > 3 59 Sc 0.55555555555556 0.44444444444444 0.83333333333333 44.956 > 3 60 Sc 0.88888888888889 0.44444444444444 0.83333333333333 44.956 > 3 61 Sc 0.22222222222222 0.77777777777778 0.83333333333333 44.956 > 3 62 Sc 0.55555555555556 0.77777777777778 0.83333333333333 44.956 > 3 63 Sc 0.88888888888889 0.77777777777778 0.83333333333333 44.956 > 3 64 Sc 0.11111111111111 0.22222222222222 0.16666666666667 44.956 > 3 65 Sc 0.44444444444444 0.22222222222222 0.16666666666667 44.956 > 3 66 Sc 0.77777777777778 0.22222222222222 0.16666666666667 44.956 > 3 67 Sc 0.11111111111111 0.55555555555556 0.16666666666667 44.956 > 3 68 Sc 0.44444444444444 0.55555555555556 0.16666666666667 44.956 > 3 69 Sc 0.77777777777778 0.55555555555556 0.16666666666667 44.956 > 3 70 Sc 0.11111111111111 0.88888888888889 0.16666666666667 44.956 > 3 71 Sc 0.44444444444444 0.88888888888889 0.16666666666667 44.956 > 3 72 Sc 0.77777777777778 0.88888888888889 0.16666666666667 44.956 > 3 73 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 3 74 Sc 0.33333333333333 0.00000000000000 0.50000000000000 44.956 > 3 75 Sc 0.66666666666667 0.00000000000000 0.50000000000000 44.956 > 3 76 Sc 0.00000000000000 0.33333333333333 0.50000000000000 44.956 > 3 77 Sc 0.33333333333333 0.33333333333333 0.50000000000000 44.956 > 3 78 Sc 0.66666666666667 0.33333333333333 0.50000000000000 44.956 > 3 79 Sc 0.00000000000000 0.66666666666667 0.50000000000000 44.956 > 3 80 Sc 0.33333333333333 0.66666666666667 0.50000000000000 44.956 > 3 81 Sc 0.66666666666667 0.66666666666667 0.50000000000000 44.956 > 3 *82 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 4 83 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 4 84 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 4 85 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 4 86 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 4 87 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 4 88 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 4 89 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 4 90 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 4 91 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 4 92 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 4 93 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 4 94 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 4 95 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 4 96 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 4 97 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 4 98 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 4 99 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 4 100 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 4 101 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 4 102 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 4 103 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 4 104 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 4 105 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 4 106 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 4 107 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 4 108 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3056535 0.0000000 0.0000000 0.0000000 4.3056535 0.0000000 0.0000000 0.0000000 3.7879907 -------------------------- Born effective charges -------------------------- 1 O -2.6906107 0.0000000 0.0000000 0.0000000 -2.6906107 0.0000000 0.0000000 0.0000000 -2.1224151 2 O -2.6906107 0.0000000 0.0000000 0.0000000 -2.6906107 0.0000000 0.0000000 0.0000000 -2.1224151 3 Sc 4.3021527 -0.0000000 0.0000000 0.0000000 4.3021527 0.0000000 0.0000000 0.0000000 2.3180863 4 Rb 1.0790687 -0.0000000 0.0000000 0.0000000 1.0790687 0.0000000 0.0000000 0.0000000 1.9267439 ---------------------------------------------------------------------------- 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): 0.005 Solver_block: 80 / 80 - Time: 0.125 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.132 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:42:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:42:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.625793404359759 0.938652259653822 6.382978036666660 b -1.625793404359756 0.938652259653822 6.382978036666660 c 0.000000000000002 -1.877304519307648 6.382978036666660 Atomic positions (fractional): 1 O 0.77756826195741 0.77756826195741 0.77756826195741 15.999 2 O 0.22243173804259 0.22243173804259 0.22243173804259 15.999 3 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 4 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.754760426158542 0.000000000000000 0.000000000000000 b -4.877380213079271 8.447870336884410 0.000000000000000 c 0.000000000000000 0.000000000000000 19.148934109999999 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.77756826195741 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.77756826195741 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.77756826195741 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.77756826195741 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.77756826195741 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.77756826195741 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.77756826195741 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.77756826195741 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.77756826195741 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.88909840470926 15.999 > 10 11 O 0.44444444444444 0.22222222222222 0.88909840470926 15.999 > 10 12 O 0.77777777777778 0.22222222222222 0.88909840470926 15.999 > 10 13 O 0.11111111111111 0.55555555555556 0.88909840470926 15.999 > 10 14 O 0.44444444444444 0.55555555555556 0.88909840470926 15.999 > 10 15 O 0.77777777777778 0.55555555555556 0.88909840470926 15.999 > 10 16 O 0.11111111111111 0.88888888888889 0.88909840470926 15.999 > 10 17 O 0.44444444444444 0.88888888888889 0.88909840470926 15.999 > 10 18 O 0.77777777777778 0.88888888888889 0.88909840470926 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.11090159529074 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.11090159529074 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.11090159529074 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.11090159529074 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.11090159529074 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.11090159529074 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.11090159529074 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.11090159529074 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.11090159529074 15.999 > 1 28 O 0.00000000000000 0.00000000000000 0.22243173804259 15.999 > 10 29 O 0.33333333333333 0.00000000000000 0.22243173804259 15.999 > 10 30 O 0.66666666666667 0.00000000000000 0.22243173804259 15.999 > 10 31 O 0.00000000000000 0.33333333333333 0.22243173804259 15.999 > 10 32 O 0.33333333333333 0.33333333333333 0.22243173804259 15.999 > 10 33 O 0.66666666666667 0.33333333333333 0.22243173804259 15.999 > 10 34 O 0.00000000000000 0.66666666666667 0.22243173804259 15.999 > 10 35 O 0.33333333333333 0.66666666666667 0.22243173804259 15.999 > 10 36 O 0.66666666666667 0.66666666666667 0.22243173804259 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.44423492862407 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.44423492862407 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.44423492862407 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.44423492862407 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.44423492862407 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.44423492862407 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.44423492862407 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.44423492862407 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.44423492862407 15.999 > 1 46 O 0.22222222222222 0.11111111111111 0.55576507137593 15.999 > 10 47 O 0.55555555555556 0.11111111111111 0.55576507137593 15.999 > 10 48 O 0.88888888888889 0.11111111111111 0.55576507137593 15.999 > 10 49 O 0.22222222222222 0.44444444444444 0.55576507137593 15.999 > 10 50 O 0.55555555555556 0.44444444444444 0.55576507137593 15.999 > 10 51 O 0.88888888888889 0.44444444444444 0.55576507137593 15.999 > 10 52 O 0.22222222222222 0.77777777777778 0.55576507137593 15.999 > 10 53 O 0.55555555555556 0.77777777777778 0.55576507137593 15.999 > 10 54 O 0.88888888888889 0.77777777777778 0.55576507137593 15.999 > 10 55 Sc 0.22222222222222 0.11111111111111 0.83333333333333 44.956 > 55 56 Sc 0.55555555555556 0.11111111111111 0.83333333333333 44.956 > 55 57 Sc 0.88888888888889 0.11111111111111 0.83333333333333 44.956 > 55 58 Sc 0.22222222222222 0.44444444444444 0.83333333333333 44.956 > 55 59 Sc 0.55555555555556 0.44444444444444 0.83333333333333 44.956 > 55 60 Sc 0.88888888888889 0.44444444444444 0.83333333333333 44.956 > 55 61 Sc 0.22222222222222 0.77777777777778 0.83333333333333 44.956 > 55 62 Sc 0.55555555555556 0.77777777777778 0.83333333333333 44.956 > 55 63 Sc 0.88888888888889 0.77777777777778 0.83333333333333 44.956 > 55 64 Sc 0.11111111111111 0.22222222222222 0.16666666666667 44.956 > 55 65 Sc 0.44444444444444 0.22222222222222 0.16666666666667 44.956 > 55 66 Sc 0.77777777777778 0.22222222222222 0.16666666666667 44.956 > 55 67 Sc 0.11111111111111 0.55555555555556 0.16666666666667 44.956 > 55 68 Sc 0.44444444444444 0.55555555555556 0.16666666666667 44.956 > 55 69 Sc 0.77777777777778 0.55555555555556 0.16666666666667 44.956 > 55 70 Sc 0.11111111111111 0.88888888888889 0.16666666666667 44.956 > 55 71 Sc 0.44444444444444 0.88888888888889 0.16666666666667 44.956 > 55 72 Sc 0.77777777777778 0.88888888888889 0.16666666666667 44.956 > 55 73 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 55 74 Sc 0.33333333333333 0.00000000000000 0.50000000000000 44.956 > 55 75 Sc 0.66666666666667 0.00000000000000 0.50000000000000 44.956 > 55 76 Sc 0.00000000000000 0.33333333333333 0.50000000000000 44.956 > 55 77 Sc 0.33333333333333 0.33333333333333 0.50000000000000 44.956 > 55 78 Sc 0.66666666666667 0.33333333333333 0.50000000000000 44.956 > 55 79 Sc 0.00000000000000 0.66666666666667 0.50000000000000 44.956 > 55 80 Sc 0.33333333333333 0.66666666666667 0.50000000000000 44.956 > 55 81 Sc 0.66666666666667 0.66666666666667 0.50000000000000 44.956 > 55 82 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 82 83 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 82 84 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 82 85 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 82 86 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 82 87 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 82 88 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 82 89 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 82 90 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 82 91 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 82 92 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 82 93 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 82 94 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 82 95 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 82 96 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 82 97 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 82 98 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 82 99 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 82 100 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 82 101 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 82 102 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 82 103 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 82 104 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 82 105 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 82 106 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 82 107 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 82 108 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3056535 0.0000000 0.0000000 0.0000000 4.3056535 0.0000000 0.0000000 0.0000000 3.7879907 -------------------------- Born effective charges -------------------------- 1 O -2.6906107 0.0000000 0.0000000 0.0000000 -2.6906107 0.0000000 0.0000000 0.0000000 -2.1224151 2 O -2.6906107 0.0000000 0.0000000 0.0000000 -2.6906107 0.0000000 0.0000000 0.0000000 -2.1224151 3 Sc 4.3021527 -0.0000000 0.0000000 0.0000000 4.3021527 0.0000000 0.0000000 0.0000000 2.3180863 4 Rb 1.0790687 -0.0000000 0.0000000 0.0000000 1.0790687 0.0000000 0.0000000 0.0000000 1.9267439 ---------------------------------------------------------------------------- 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[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 22:42:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:42:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.625793404359759 0.938652259653822 6.382978036666660 b -1.625793404359756 0.938652259653822 6.382978036666660 c 0.000000000000002 -1.877304519307648 6.382978036666660 Atomic positions (fractional): 1 O 0.77756826195741 0.77756826195741 0.77756826195741 15.999 2 O 0.22243173804259 0.22243173804259 0.22243173804259 15.999 3 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 4 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.754760426158542 0.000000000000000 0.000000000000000 b -4.877380213079271 8.447870336884410 0.000000000000000 c 0.000000000000000 0.000000000000000 19.148934109999999 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.77756826195741 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.77756826195741 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.77756826195741 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.77756826195741 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.77756826195741 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.77756826195741 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.77756826195741 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.77756826195741 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.77756826195741 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.88909840470926 15.999 > 10 11 O 0.44444444444444 0.22222222222222 0.88909840470926 15.999 > 10 12 O 0.77777777777778 0.22222222222222 0.88909840470926 15.999 > 10 13 O 0.11111111111111 0.55555555555556 0.88909840470926 15.999 > 10 14 O 0.44444444444444 0.55555555555556 0.88909840470926 15.999 > 10 15 O 0.77777777777778 0.55555555555556 0.88909840470926 15.999 > 10 16 O 0.11111111111111 0.88888888888889 0.88909840470926 15.999 > 10 17 O 0.44444444444444 0.88888888888889 0.88909840470926 15.999 > 10 18 O 0.77777777777778 0.88888888888889 0.88909840470926 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.11090159529074 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.11090159529074 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.11090159529074 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.11090159529074 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.11090159529074 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.11090159529074 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.11090159529074 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.11090159529074 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.11090159529074 15.999 > 1 28 O 0.00000000000000 0.00000000000000 0.22243173804259 15.999 > 10 29 O 0.33333333333333 0.00000000000000 0.22243173804259 15.999 > 10 30 O 0.66666666666667 0.00000000000000 0.22243173804259 15.999 > 10 31 O 0.00000000000000 0.33333333333333 0.22243173804259 15.999 > 10 32 O 0.33333333333333 0.33333333333333 0.22243173804259 15.999 > 10 33 O 0.66666666666667 0.33333333333333 0.22243173804259 15.999 > 10 34 O 0.00000000000000 0.66666666666667 0.22243173804259 15.999 > 10 35 O 0.33333333333333 0.66666666666667 0.22243173804259 15.999 > 10 36 O 0.66666666666667 0.66666666666667 0.22243173804259 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.44423492862407 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.44423492862407 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.44423492862407 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.44423492862407 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.44423492862407 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.44423492862407 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.44423492862407 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.44423492862407 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.44423492862407 15.999 > 1 46 O 0.22222222222222 0.11111111111111 0.55576507137593 15.999 > 10 47 O 0.55555555555556 0.11111111111111 0.55576507137593 15.999 > 10 48 O 0.88888888888889 0.11111111111111 0.55576507137593 15.999 > 10 49 O 0.22222222222222 0.44444444444444 0.55576507137593 15.999 > 10 50 O 0.55555555555556 0.44444444444444 0.55576507137593 15.999 > 10 51 O 0.88888888888889 0.44444444444444 0.55576507137593 15.999 > 10 52 O 0.22222222222222 0.77777777777778 0.55576507137593 15.999 > 10 53 O 0.55555555555556 0.77777777777778 0.55576507137593 15.999 > 10 54 O 0.88888888888889 0.77777777777778 0.55576507137593 15.999 > 10 55 Sc 0.22222222222222 0.11111111111111 0.83333333333333 44.956 > 55 56 Sc 0.55555555555556 0.11111111111111 0.83333333333333 44.956 > 55 57 Sc 0.88888888888889 0.11111111111111 0.83333333333333 44.956 > 55 58 Sc 0.22222222222222 0.44444444444444 0.83333333333333 44.956 > 55 59 Sc 0.55555555555556 0.44444444444444 0.83333333333333 44.956 > 55 60 Sc 0.88888888888889 0.44444444444444 0.83333333333333 44.956 > 55 61 Sc 0.22222222222222 0.77777777777778 0.83333333333333 44.956 > 55 62 Sc 0.55555555555556 0.77777777777778 0.83333333333333 44.956 > 55 63 Sc 0.88888888888889 0.77777777777778 0.83333333333333 44.956 > 55 64 Sc 0.11111111111111 0.22222222222222 0.16666666666667 44.956 > 55 65 Sc 0.44444444444444 0.22222222222222 0.16666666666667 44.956 > 55 66 Sc 0.77777777777778 0.22222222222222 0.16666666666667 44.956 > 55 67 Sc 0.11111111111111 0.55555555555556 0.16666666666667 44.956 > 55 68 Sc 0.44444444444444 0.55555555555556 0.16666666666667 44.956 > 55 69 Sc 0.77777777777778 0.55555555555556 0.16666666666667 44.956 > 55 70 Sc 0.11111111111111 0.88888888888889 0.16666666666667 44.956 > 55 71 Sc 0.44444444444444 0.88888888888889 0.16666666666667 44.956 > 55 72 Sc 0.77777777777778 0.88888888888889 0.16666666666667 44.956 > 55 73 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 55 74 Sc 0.33333333333333 0.00000000000000 0.50000000000000 44.956 > 55 75 Sc 0.66666666666667 0.00000000000000 0.50000000000000 44.956 > 55 76 Sc 0.00000000000000 0.33333333333333 0.50000000000000 44.956 > 55 77 Sc 0.33333333333333 0.33333333333333 0.50000000000000 44.956 > 55 78 Sc 0.66666666666667 0.33333333333333 0.50000000000000 44.956 > 55 79 Sc 0.00000000000000 0.66666666666667 0.50000000000000 44.956 > 55 80 Sc 0.33333333333333 0.66666666666667 0.50000000000000 44.956 > 55 81 Sc 0.66666666666667 0.66666666666667 0.50000000000000 44.956 > 55 82 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 82 83 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 82 84 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 82 85 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 82 86 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 82 87 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 82 88 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 82 89 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 82 90 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 82 91 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 82 92 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 82 93 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 82 94 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 82 95 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 82 96 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 82 97 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 82 98 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 82 99 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 82 100 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 82 101 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 82 102 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 82 103 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 82 104 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 82 105 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 82 106 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 82 107 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 82 108 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3056535 0.0000000 0.0000000 0.0000000 4.3056535 0.0000000 0.0000000 0.0000000 3.7879907 -------------------------- Born effective charges -------------------------- 1 O -2.6906107 0.0000000 0.0000000 0.0000000 -2.6906107 0.0000000 0.0000000 0.0000000 -2.1224151 2 O -2.6906107 0.0000000 0.0000000 0.0000000 -2.6906107 0.0000000 0.0000000 0.0000000 -2.1224151 3 Sc 4.3021527 -0.0000000 0.0000000 0.0000000 4.3021527 0.0000000 0.0000000 0.0000000 2.3180863 4 Rb 1.0790687 -0.0000000 0.0000000 0.0000000 1.0790687 0.0000000 0.0000000 0.0000000 1.9267439 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 18 18 18 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.07, Number of G-points: 295, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/580) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 10.805 ( 0.000 0.000 0.000) 0.000 10.805 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 15.347 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/580) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 24.538 14.167 10.490) 30.214 0.692 ( 29.641 17.113 -1.022) 34.242 1.297 ( 50.796 29.327 9.082) 59.353 2.889 ( 6.870 3.966 -1.064) 8.003 3.137 ( 28.172 16.265 0.104) 32.530 5.510 ( 0.802 0.463 3.804) 3.915 7.339 ( 2.676 1.545 0.393) 3.114 10.759 ( -3.990 -2.303 -0.421) 4.626 10.783 ( -1.925 -1.111 -0.047) 2.223 13.252 ( 5.693 3.287 -56.270) 56.653 15.180 ( -14.914 -8.611 8.520) 19.214 17.003 ( 2.661 1.536 1.425) 3.387 ======================= Grid point 2 (3/580) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 23.766 13.721 7.735) 28.512 1.322 ( 25.393 14.661 -0.446) 29.325 2.302 ( 35.819 20.680 6.812) 41.917 3.127 ( 14.497 8.370 -1.835) 16.839 4.067 ( 50.886 29.379 1.176) 58.770 5.558 ( 3.044 1.757 0.523) 3.553 7.435 ( 5.689 3.284 0.549) 6.592 10.619 ( -8.142 -4.701 -1.089) 9.465 10.721 ( -3.394 -1.960 -0.041) 3.920 13.203 ( 0.574 0.331 -26.679) 26.687 14.767 ( -23.205 -13.397 13.553) 30.027 17.050 ( 1.542 0.890 -8.536) 8.719 ======================= Grid point 3 (4/580) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 21.505 12.416 5.365) 25.405 1.829 ( 19.047 10.997 -0.060) 21.994 3.026 ( 27.410 15.825 3.895) 31.889 3.536 ( 21.562 12.449 -1.958) 24.975 5.323 ( 56.364 32.542 1.768) 65.107 5.661 ( 6.435 3.715 -2.101) 7.722 7.605 ( 9.232 5.330 0.321) 10.665 10.389 ( -11.234 -6.486 -2.061) 13.135 10.633 ( -4.154 -2.398 0.083) 4.797 13.122 ( -2.160 -1.247 -17.199) 17.378 14.236 ( -26.683 -15.406 17.054) 35.216 17.003 ( -3.179 -1.835 -11.932) 12.484 ======================= Grid point 4 (5/580) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 17.164 9.909 4.597) 20.345 2.197 ( 13.596 7.850 -0.065) 15.700 3.596 ( 22.299 12.874 0.429) 25.752 4.066 ( 24.495 14.142 -1.485) 28.324 5.843 ( 10.355 5.978 -3.205) 12.379 6.557 ( 49.733 28.713 0.604) 57.430 7.860 ( 13.177 7.608 -0.287) 15.218 10.128 ( -9.839 -5.680 -3.025) 11.756 10.537 ( -4.290 -2.477 0.388) 4.969 12.999 ( -4.734 -2.733 -15.009) 15.973 13.672 ( -27.183 -15.694 20.973) 37.750 16.836 ( -8.272 -4.776 -12.543) 15.766 ======================= Grid point 5 (6/580) ======================= q-point: ( 0.28 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 9.981 5.763 -0.188) 11.527 2.510 ( 11.463 6.618 4.899) 14.113 4.056 ( 18.665 10.776 -3.075) 21.770 4.605 ( 22.446 12.959 -0.912) 25.934 6.098 ( 12.185 7.035 -3.025) 14.392 7.504 ( 31.572 18.228 -1.393) 36.483 8.202 ( 16.850 9.728 -1.136) 19.490 10.003 ( 1.547 0.893 -3.183) 3.650 10.442 ( -4.248 -2.452 0.909) 4.988 12.801 ( -9.263 -5.348 -17.071) 20.145 13.155 ( -22.788 -13.157 25.063) 36.339 16.565 ( -12.165 -7.023 -11.339) 18.052 ======================= Grid point 6 (7/580) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 7.298 4.213 -0.245) 8.430 2.725 ( 6.487 3.745 4.872) 8.936 4.437 ( 15.876 9.166 -4.875) 18.969 5.060 ( 17.388 10.039 -0.527) 20.085 6.333 ( 7.731 4.464 -1.651) 9.079 7.972 ( 12.604 7.277 -4.226) 15.155 8.610 ( 19.044 10.995 -2.009) 22.082 10.198 ( 13.668 7.891 -2.017) 15.911 10.345 ( -4.664 -2.693 1.600) 5.619 12.476 ( -13.937 -8.046 -7.728) 17.852 12.826 ( -11.823 -6.826 14.934) 20.234 16.231 ( -14.171 -8.182 -8.898) 18.626 ======================= Grid point 7 (8/580) ======================= q-point: ( 0.39 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 4.871 2.812 -0.215) 5.629 2.848 ( 3.489 2.015 3.937) 5.633 4.746 ( 12.233 7.063 -4.541) 14.838 5.388 ( 11.408 6.586 -0.320) 13.176 6.401 ( -1.433 -0.827 -0.423) 1.708 8.213 ( 12.180 7.032 -5.289) 15.026 9.039 ( 18.700 10.797 -2.688) 21.760 10.231 ( -6.013 -3.472 2.301) 7.315 10.415 ( 2.022 1.168 -0.141) 2.339 12.244 ( -3.938 -2.273 -2.569) 5.222 12.672 ( -4.134 -2.387 6.893) 8.384 15.886 ( -13.716 -7.919 -5.884) 16.895 ======================= Grid point 8 (9/580) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 2.452 1.416 -0.122) 2.834 2.916 ( 1.703 0.983 2.223) 2.967 4.956 ( 6.862 3.962 -2.755) 8.389 5.580 ( 5.567 3.214 -0.167) 6.431 6.314 ( -4.535 -2.618 0.017) 5.236 8.508 ( 13.333 7.698 -3.807) 15.860 9.424 ( 15.183 8.766 -2.856) 17.763 10.080 ( -7.753 -4.476 2.632) 9.331 10.287 ( -10.263 -5.926 1.253) 11.917 12.216 ( -0.127 -0.073 -1.675) 1.681 12.698 ( 4.211 2.431 3.043) 5.736 15.602 ( -9.331 -5.387 -2.865) 11.149 ======================= Grid point 9 (10/580) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 -0.000) 0.000 5.032 ( 0.000 0.000 -0.000) 0.000 5.642 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 9.639 ( 0.000 0.000 -0.000) 0.000 9.952 ( -0.000 -0.000 0.000) 0.000 10.134 ( 0.000 0.000 0.000) 0.000 12.208 ( 0.000 0.000 0.000) 0.000 12.773 ( 0.000 0.000 -0.000) 0.000 15.484 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 20 (11/580) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.000 26.168 28.560) 38.736 0.750 ( 0.000 33.205 11.863) 35.261 1.281 ( -0.000 57.637 5.938) 57.942 2.891 ( -0.000 8.171 -0.696) 8.200 3.130 ( -0.000 32.334 -1.495) 32.369 5.521 ( 0.000 -0.963 6.120) 6.195 7.339 ( -0.000 3.053 0.362) 3.075 10.760 ( 0.000 -4.539 -0.326) 4.550 10.781 ( -0.000 -2.291 -0.503) 2.346 13.002 ( -0.000 27.137 -102.984) 106.499 15.211 ( 0.000 -16.728 12.179) 20.692 17.027 ( 0.000 0.248 5.679) 5.685 ======================= Grid point 21 (12/580) ======================= q-point: ( 0.11 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 9.601 23.391 19.547) 31.960 1.249 ( 12.692 28.540 7.366) 32.092 2.067 ( 24.617 37.266 7.439) 45.278 3.050 ( 6.937 13.306 -1.460) 15.077 3.760 ( 27.400 45.806 -0.325) 53.376 5.543 ( 1.237 1.550 1.392) 2.423 7.404 ( 2.898 4.816 0.699) 5.664 10.666 ( -4.367 -7.031 -0.926) 8.329 10.737 ( -1.477 -2.985 -0.548) 3.375 13.041 ( 6.609 7.039 -53.015) 53.887 14.949 ( -12.374 -21.543 17.235) 30.237 17.035 ( -0.551 2.874 -6.829) 7.429 ======================= Grid point 22 (13/580) ======================= q-point: ( 0.17 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 15.753 18.067 12.167) 26.882 1.737 ( 12.628 21.969 4.117) 25.672 2.795 ( 23.215 24.173 5.332) 33.936 3.386 ( 14.122 19.108 -1.787) 23.827 4.861 ( 43.301 48.349 1.086) 64.913 5.609 ( 3.607 3.964 -1.626) 5.601 7.539 ( 5.937 7.011 0.778) 9.220 10.468 ( -8.358 -9.812 -1.903) 13.029 10.673 ( -2.611 -2.272 -0.429) 3.487 13.031 ( 3.026 -0.936 -30.684) 30.847 14.505 ( -19.562 -22.523 20.512) 36.204 17.003 ( -2.475 0.303 -12.341) 12.590 ======================= Grid point 23 (14/580) ======================= q-point: ( 0.22 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 15.660 13.602 7.178) 21.949 2.128 ( 10.162 15.920 3.267) 19.168 3.381 ( 20.201 17.687 2.048) 26.928 3.881 ( 18.866 23.229 -1.415) 29.959 5.744 ( 7.369 6.702 -3.811) 10.665 6.094 ( 45.078 43.201 1.345) 62.451 7.753 ( 9.407 9.569 0.452) 13.426 10.194 ( -9.560 -11.764 -2.904) 15.435 10.606 ( -3.769 0.132 -0.250) 3.779 12.950 ( -0.241 -4.951 -22.007) 22.559 13.984 ( -22.718 -21.461 23.016) 38.812 16.874 ( -6.242 -3.797 -13.541) 15.386 ======================= Grid point 24 (15/580) ======================= q-point: ( 0.28 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 11.613 10.520 3.124) 15.978 2.427 ( 8.466 10.696 4.582) 14.390 3.853 ( 17.461 13.274 -1.866) 22.012 4.442 ( 18.650 24.287 -0.946) 30.636 5.968 ( 10.789 8.855 -3.699) 14.439 7.182 ( 35.100 33.522 -0.041) 48.536 8.053 ( 13.024 12.159 -0.215) 17.819 9.944 ( -3.369 -10.958 -3.378) 11.951 10.552 ( -4.921 4.280 0.027) 6.523 12.792 ( -3.824 -8.238 -19.293) 21.323 13.463 ( -22.391 -18.723 24.755) 38.272 16.641 ( -9.767 -7.576 -12.453) 17.546 ======================= Grid point 25 (16/580) ======================= q-point: ( 0.33 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 5.843 10.357 0.217) 11.894 2.658 ( 7.559 4.715 5.983) 10.732 4.242 ( 15.871 10.169 -4.786) 19.447 4.960 ( 14.302 23.013 -0.750) 27.106 6.236 ( 10.129 8.512 -2.118) 13.399 7.867 ( 14.067 19.333 -2.567) 24.046 8.431 ( 15.882 14.090 -1.063) 21.258 9.917 ( 12.139 -7.443 -2.359) 14.433 10.533 ( -5.633 11.013 0.342) 12.375 12.538 ( -8.402 -11.419 -14.772) 20.475 13.028 ( -16.710 -13.365 20.832) 29.863 16.331 ( -11.875 -10.341 -9.949) 18.626 ======================= Grid point 26 (17/580) ======================= q-point: ( 0.39 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 3.188 7.379 1.332) 8.148 2.812 ( 4.383 3.729 3.217) 6.592 4.571 ( 14.196 7.242 -5.553) 16.876 5.368 ( 8.170 21.000 -0.691) 22.544 6.413 ( 2.040 4.639 -0.186) 5.071 8.132 ( 5.619 11.491 -4.691) 13.624 8.850 ( 16.765 14.280 -1.919) 22.106 10.070 ( 11.262 -9.998 -0.218) 15.062 10.590 ( -5.223 16.526 0.645) 17.343 12.254 ( -5.906 -10.200 -6.451) 13.437 12.759 ( -8.391 -7.234 10.771) 15.451 15.990 ( -12.047 -11.665 -6.732) 18.070 ======================= Grid point 27 (18/580) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 2.634 1.313 2.730) 4.014 2.911 ( 0.365 7.198 -0.234) 7.211 4.827 ( 10.848 3.729 -4.655) 12.380 5.651 ( 1.636 19.993 -0.609) 20.069 6.390 ( -6.280 0.048 1.048) 6.367 8.370 ( 11.058 11.296 -4.642) 16.475 9.250 ( 15.053 11.585 -2.634) 19.177 10.062 ( 0.554 -10.114 1.440) 10.231 10.562 ( -15.133 9.646 1.983) 18.055 12.153 ( 3.355 -5.485 -3.337) 7.244 12.670 ( 0.531 -1.282 4.603) 4.808 15.673 ( -9.441 -10.837 -3.452) 14.781 ======================= Grid point 28 (19/580) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 1.250 -0.875 0.425) 1.584 2.963 ( -2.420 7.061 -0.218) 7.467 4.976 ( 5.525 -0.303 -2.681) 6.149 5.814 ( -6.186 20.474 -0.392) 21.391 6.275 ( -4.280 -1.893 1.535) 4.925 8.641 ( 7.815 7.184 -2.914) 11.008 9.535 ( 9.013 2.707 -2.120) 9.647 9.960 ( -1.788 -5.420 1.940) 6.028 10.359 ( -16.515 10.383 2.192) 19.631 12.159 ( 3.273 -4.703 -1.638) 5.959 12.733 ( 3.845 -0.339 0.881) 3.959 15.470 ( -2.328 -6.863 -0.431) 7.260 ======================= Grid point 29 (20/580) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( -0.655 -1.838 -2.100) 2.866 2.965 ( -4.708 5.600 0.153) 7.318 4.988 ( -1.121 -4.223 -0.002) 4.370 5.816 ( -14.556 15.949 0.235) 21.594 6.273 ( 3.450 2.259 1.035) 4.251 8.657 ( -8.406 -2.561 0.698) 8.815 9.552 ( -5.697 -5.956 1.823) 8.441 9.948 ( 4.606 -1.283 -0.903) 4.866 10.350 ( -1.692 19.009 0.060) 19.084 12.166 ( 3.280 -4.718 0.006) 5.746 12.721 ( -2.622 -4.089 -1.899) 5.216 15.482 ( 7.942 -0.933 2.356) 8.337 ======================= Grid point 30 (21/580) ======================= q-point: (-0.39 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -2.376 -2.459 -3.539) 4.921 2.912 ( -6.997 3.789 0.043) 7.957 4.858 ( -7.623 -7.096 2.479) 10.706 5.656 ( -18.245 8.889 0.536) 20.302 6.388 ( 3.221 5.068 0.548) 6.030 8.407 ( -14.359 -3.979 3.838) 15.387 9.273 ( -17.621 -7.488 2.649) 19.329 10.051 ( 8.495 -4.695 -1.144) 9.773 10.550 ( -0.542 17.938 -0.824) 17.965 12.171 ( 3.690 -5.376 0.754) 6.564 12.628 ( -0.548 -1.806 -4.640) 5.009 15.710 ( 15.044 3.223 4.967) 16.168 ======================= Grid point 31 (22/580) ======================= q-point: (-0.33 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -4.598 -2.768 -3.822) 6.589 2.799 ( -9.192 1.400 -0.383) 9.306 4.612 ( -12.931 -8.554 3.933) 15.995 5.373 ( -22.353 3.644 0.593) 22.656 6.417 ( -4.419 0.381 0.774) 4.502 8.172 ( -12.898 0.357 4.604) 13.700 8.868 ( -20.904 -7.833 2.142) 22.426 10.072 ( 3.528 -13.838 0.199) 14.282 10.586 ( -11.606 12.851 -0.219) 17.318 12.286 ( 14.231 1.530 0.329) 14.317 12.677 ( 7.225 1.992 -7.248) 10.426 16.052 ( 17.238 4.927 7.323) 19.366 ======================= Grid point 32 (23/580) ======================= q-point: (-0.28 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -8.261 -4.514 -4.070) 10.256 2.620 ( -11.757 -0.068 0.113) 11.758 4.279 ( -17.207 -8.922 3.704) 19.734 4.966 ( -27.050 -0.804 0.704) 27.071 6.253 ( -11.598 -4.543 1.770) 12.581 7.889 ( -24.752 -3.329 2.643) 25.114 8.442 ( -20.350 -7.181 1.438) 21.628 9.937 ( 1.084 -13.937 2.081) 14.133 10.529 ( -6.896 10.784 -0.477) 12.809 12.655 ( 19.715 4.604 10.297) 22.713 12.849 ( 14.079 5.419 -18.461) 23.841 16.415 ( 16.111 5.115 9.009) 19.154 ======================= Grid point 33 (24/580) ======================= q-point: (-0.22 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -15.237 -6.313 -1.976) 16.611 2.406 ( -13.562 -1.438 -0.875) 13.666 3.868 ( -21.565 -8.946 1.634) 23.404 4.450 ( -30.137 -4.103 0.959) 30.430 5.994 ( -12.566 -4.990 2.289) 13.713 7.184 ( -47.290 -14.075 0.317) 49.342 8.057 ( -17.277 -5.604 0.686) 18.176 9.970 ( 11.322 -2.686 2.560) 11.915 10.550 ( -1.251 6.747 -0.407) 6.874 12.936 ( 8.454 0.242 11.273) 14.093 13.263 ( 28.537 10.493 -18.384) 35.530 16.737 ( 12.631 4.200 9.470) 16.336 ======================= Grid point 34 (25/580) ======================= q-point: (-0.17 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -20.841 -7.928 -1.561) 22.353 2.115 ( -18.770 -1.691 -0.066) 18.846 3.368 ( -27.014 -8.845 -0.971) 28.442 3.892 ( -29.203 -4.980 1.222) 29.649 5.766 ( -9.699 -3.095 1.389) 10.275 6.085 ( -60.249 -17.566 -0.561) 62.761 7.752 ( -13.182 -3.617 0.092) 13.669 10.215 ( 14.840 2.111 1.769) 15.093 10.606 ( 1.815 3.567 -0.222) 4.009 13.088 ( 6.333 0.178 7.500) 9.818 13.824 ( 30.037 8.897 -11.383) 33.331 16.970 ( 7.394 2.488 8.261) 11.362 ======================= Grid point 35 (26/580) ======================= q-point: (-0.11 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -25.681 -6.852 -1.378) 26.615 1.722 ( -25.563 -1.556 0.484) 25.615 2.762 ( -34.157 -7.407 -2.250) 35.024 3.399 ( -23.342 -3.151 0.981) 23.574 4.853 ( -63.560 -12.728 -0.898) 64.828 5.617 ( -5.877 -1.367 0.403) 6.047 7.535 ( -9.150 -1.705 -0.162) 9.309 10.480 ( 12.531 2.047 0.768) 12.721 10.675 ( 3.308 1.326 -0.083) 3.564 13.205 ( 4.816 0.117 6.968) 8.471 14.378 ( 28.861 5.622 -6.430) 30.098 17.080 ( 1.377 0.679 5.040) 5.269 ======================= Grid point 36 (27/580) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -28.308 0.000 0.000) 28.308 1.218 ( -32.142 0.000 0.000) 32.142 2.034 ( -46.095 0.000 0.000) 46.095 3.057 ( -14.875 0.000 0.000) 14.875 3.761 ( -53.085 0.000 0.000) 53.085 5.536 ( -3.085 0.000 0.000) 3.085 7.401 ( -5.636 0.000 0.000) 5.636 10.671 ( 8.197 -0.000 -0.000) 8.197 10.739 ( 3.335 -0.000 -0.000) 3.335 13.292 ( 3.567 -0.000 -0.000) 3.567 14.861 ( 24.586 -0.000 -0.000) 24.586 17.067 ( -3.536 0.000 0.000) 3.536 ======================= Grid point 39 (28/580) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 24.808 24.856) 35.117 1.419 ( 0.000 27.429 9.935) 29.173 2.281 ( -0.000 41.117 4.812) 41.397 3.136 ( -0.000 17.330 -0.859) 17.351 4.046 ( -0.000 58.605 -1.112) 58.616 5.555 ( -0.000 2.880 0.154) 2.884 7.437 ( -0.000 6.701 0.795) 6.748 10.620 ( 0.000 -9.195 -0.956) 9.244 10.712 ( -0.000 -4.111 -0.997) 4.230 12.904 ( -0.000 8.387 -52.339) 53.006 14.865 ( 0.000 -26.541 18.797) 32.523 17.054 ( -0.000 2.573 -7.602) 8.025 ======================= Grid point 40 (29/580) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 2.409 22.976 17.140) 28.766 1.805 ( 8.393 22.119 9.689) 25.565 2.779 ( 11.945 31.783 4.207) 34.213 3.400 ( 8.180 22.638 -0.863) 24.086 4.843 ( 21.808 60.926 -0.125) 64.711 5.606 ( 1.601 5.579 -1.726) 6.055 7.543 ( 3.093 8.917 1.048) 9.497 10.472 ( -5.028 -11.644 -1.648) 12.790 10.665 ( -0.146 -3.715 -1.015) 3.854 12.860 ( 3.722 0.656 -38.386) 38.572 14.565 ( -9.505 -27.847 20.910) 36.097 17.025 ( -2.706 0.909 -10.681) 11.056 ======================= Grid point 41 (30/580) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 7.918 18.512 11.218) 23.048 2.160 ( 7.581 16.961 7.109) 19.892 3.291 ( 14.230 23.636 2.134) 27.672 3.846 ( 14.726 27.473 -0.688) 31.178 5.697 ( 6.174 10.100 -4.590) 12.696 5.921 ( 30.830 53.498 1.838) 61.773 7.727 ( 6.257 11.577 1.149) 13.210 10.217 ( -8.903 -13.935 -2.637) 16.745 10.637 ( -0.046 -0.911 -0.855) 1.250 12.795 ( 2.715 -5.947 -28.235) 28.982 14.142 ( -15.338 -26.409 22.648) 38.022 16.909 ( -6.019 -2.789 -12.143) 13.837 ======================= Grid point 42 (31/580) ======================= q-point: ( 0.28 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 9.272 14.175 7.249) 18.424 2.440 ( 6.097 12.530 5.512) 14.985 3.731 ( 13.405 17.253 -1.299) 21.887 4.409 ( 17.118 29.867 -0.534) 34.429 5.893 ( 7.918 10.924 -3.820) 14.022 6.991 ( 32.548 45.892 0.705) 56.267 7.993 ( 9.537 14.399 0.965) 17.298 9.906 ( -8.464 -15.076 -3.409) 17.622 10.645 ( -0.456 4.316 -0.761) 4.406 12.665 ( 0.192 -10.701 -22.520) 24.934 13.673 ( -17.957 -23.363 23.315) 37.575 16.693 ( -9.281 -7.175 -11.736) 16.594 ======================= Grid point 43 (32/580) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 7.318 7.753 6.721) 12.603 2.659 ( 4.763 12.344 2.571) 13.479 4.089 ( 12.790 12.296 -4.504) 18.305 4.979 ( 14.633 29.454 -0.883) 32.901 6.158 ( 9.938 12.397 -1.788) 15.989 7.846 ( 18.701 33.302 -0.859) 38.203 8.339 ( 12.565 16.614 0.429) 20.835 9.677 ( 1.947 -13.589 -3.276) 14.113 10.707 ( -1.062 11.517 -0.683) 11.586 12.460 ( -3.006 -13.924 -17.917) 22.890 13.224 ( -17.000 -18.989 21.175) 33.135 16.392 ( -11.401 -11.121 -9.951) 18.780 ======================= Grid point 44 (33/580) ======================= q-point: ( 0.39 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 4.481 1.853 5.734) 7.510 2.867 ( 2.850 13.991 0.695) 14.296 4.393 ( 12.874 8.107 -5.941) 16.332 5.462 ( 9.490 26.769 -1.318) 28.432 6.428 ( 5.962 12.314 0.722) 13.700 8.231 ( -0.516 19.282 -3.227) 19.557 8.740 ( 14.093 17.364 -0.250) 22.365 9.727 ( 15.912 -9.800 -1.898) 18.784 10.832 ( -1.961 18.268 -0.294) 18.375 12.199 ( -4.913 -14.956 -11.127) 19.278 12.868 ( -11.430 -13.113 14.385) 22.573 16.042 ( -11.677 -13.910 -7.291) 19.570 ======================= Grid point 45 (34/580) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 3.200 -0.259 3.486) 4.739 3.024 ( -0.542 13.493 0.105) 13.504 4.650 ( 11.974 3.947 -5.659) 13.820 5.823 ( 4.769 22.917 -1.176) 23.438 6.557 ( -5.875 11.577 2.138) 13.157 8.366 ( 1.858 14.612 -3.845) 15.223 9.136 ( 12.955 14.999 -1.215) 19.856 9.875 ( 10.461 -9.432 -0.623) 14.099 10.929 ( -10.310 17.369 1.144) 20.230 11.998 ( 1.994 -12.303 -5.462) 13.608 12.677 ( -3.180 -5.984 6.824) 9.617 15.696 ( -9.631 -14.765 -4.271) 18.138 ======================= Grid point 46 (35/580) ======================= q-point: ( 0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 2.037 -1.477 0.910) 2.676 3.116 ( -3.687 12.576 -0.041) 13.105 4.836 ( 8.958 -0.224 -4.369) 9.969 6.081 ( 2.449 17.819 -0.395) 17.991 6.488 ( -16.314 14.155 2.203) 21.710 8.585 ( 7.527 12.177 -3.151) 14.659 9.433 ( 7.916 7.672 -1.970) 11.198 9.896 ( 3.176 -7.233 1.108) 7.977 10.815 ( -19.577 15.248 2.533) 24.944 11.979 ( 8.032 -10.488 -3.201) 13.592 12.668 ( 3.129 -0.970 2.091) 3.886 15.426 ( -4.174 -12.601 -1.273) 13.336 ======================= Grid point 47 (36/580) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 0.486 -2.386 -1.524) 2.873 3.147 ( -6.403 11.199 0.054) 12.900 4.917 ( 3.971 -4.025 -2.341) 6.119 6.244 ( 1.696 0.111 2.092) 2.695 6.359 ( -20.028 30.975 0.052) 36.886 8.739 ( -0.993 4.021 -2.039) 4.617 9.539 ( 1.879 0.261 0.592) 1.987 9.886 ( 1.354 -4.318 0.765) 4.590 10.696 ( -13.684 21.614 1.705) 25.639 12.001 ( 7.326 -10.796 -1.522) 13.136 12.697 ( 0.443 -2.984 -1.000) 3.178 15.332 ( 5.347 -7.258 1.534) 9.144 ======================= Grid point 48 (37/580) ======================= q-point: (-0.39 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( -1.091 -2.921 -3.155) 4.436 3.117 ( -8.947 9.281 0.067) 12.891 4.876 ( -2.046 -6.772 0.080) 7.075 6.102 ( -16.728 6.629 1.948) 18.098 6.466 ( -4.325 20.778 -0.193) 21.225 8.619 ( -11.753 -0.675 0.694) 11.793 9.477 ( -10.640 -3.165 2.782) 11.444 9.884 ( 4.989 -5.133 -0.287) 7.164 10.793 ( -4.246 24.571 0.054) 24.935 12.005 ( 6.406 -11.351 -0.336) 13.038 12.617 ( -2.837 -4.519 -3.421) 6.339 15.473 ( 14.703 -1.806 3.900) 15.319 ======================= Grid point 49 (38/580) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -2.546 -3.064 -3.738) 5.462 3.023 ( -11.430 6.749 -0.049) 13.274 4.721 ( -7.906 -7.801 2.093) 11.303 5.845 ( -22.531 7.766 1.197) 23.862 6.536 ( -6.346 9.769 -0.062) 11.649 8.428 ( -12.111 4.836 2.947) 13.369 9.165 ( -19.928 -4.924 2.016) 20.626 9.887 ( 3.190 -12.229 0.616) 12.653 10.919 ( -9.340 18.784 0.091) 20.978 12.040 ( 11.427 -6.549 -1.487) 13.254 12.569 ( 3.451 -2.001 -4.438) 5.967 15.785 ( 19.452 1.317 5.571) 20.277 ======================= Grid point 50 (39/580) ======================= q-point: (-0.28 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -4.820 -3.066 -3.412) 6.654 2.860 ( -13.669 3.823 -0.124) 14.194 4.472 ( -13.181 -7.159 2.904) 15.278 5.481 ( -28.348 5.515 0.779) 28.890 6.425 ( -11.754 0.091 0.443) 11.763 8.285 ( -17.208 8.529 2.730) 19.399 8.754 ( -22.288 -4.767 1.308) 22.829 9.756 ( 1.213 -17.784 1.314) 17.874 10.837 ( -15.065 11.674 0.365) 19.063 12.316 ( 22.872 1.937 -1.768) 23.022 12.659 ( 8.995 -0.162 -5.201) 10.392 16.165 ( 20.001 2.562 6.318) 21.131 ======================= Grid point 51 (40/580) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -9.988 -3.095 -2.242) 10.694 2.638 ( -14.663 1.342 -0.188) 14.725 4.148 ( -18.328 -5.580 2.149) 19.279 4.991 ( -33.050 1.899 0.545) 33.109 6.184 ( -13.759 -2.990 1.032) 14.118 7.862 ( -39.465 -0.775 0.899) 39.483 8.341 ( -20.904 -3.662 0.716) 21.235 9.722 ( 11.390 -8.391 1.685) 14.247 10.713 ( -9.699 7.239 0.038) 12.103 12.770 ( 20.254 -1.084 16.763) 26.314 12.835 ( 18.281 5.602 -22.383) 29.438 16.534 ( 17.614 2.495 5.806) 18.714 ======================= Grid point 52 (41/580) ======================= q-point: (-0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -17.912 -2.597 -0.719) 18.114 2.395 ( -15.045 0.089 -0.261) 15.048 3.747 ( -23.857 -3.532 0.557) 24.124 4.417 ( -34.174 -0.490 0.418) 34.180 5.934 ( -12.392 -1.840 0.797) 12.553 6.984 ( -56.756 -5.483 -0.051) 57.020 7.986 ( -17.369 -1.841 0.204) 17.467 9.946 ( 17.288 -0.844 1.003) 17.338 10.652 ( -3.568 2.975 -0.071) 4.646 12.968 ( 8.930 -0.479 2.992) 9.430 13.339 ( 30.780 3.848 -5.873) 31.571 16.833 ( 13.069 1.439 3.747) 13.672 ======================= Grid point 53 (42/580) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -23.240 0.000 0.000) 23.240 2.103 ( -19.538 0.000 0.000) 19.538 3.272 ( -29.410 0.000 0.000) 29.410 3.852 ( -30.705 0.000 0.000) 30.705 5.740 ( -9.290 0.000 0.000) 9.290 5.902 ( -64.526 0.000 0.000) 64.526 7.717 ( -13.163 0.000 0.000) 13.163 10.240 ( 16.390 -0.000 -0.000) 16.390 10.644 ( 0.852 -0.000 -0.000) 0.852 13.109 ( 7.205 -0.000 -0.000) 7.205 13.880 ( 30.941 -0.000 -0.000) 30.941 17.020 ( 7.190 -0.000 -0.000) 7.190 ======================= Grid point 58 (43/580) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.000 19.352 6.730) 20.489 1.937 ( 0.000 20.633 20.034) 28.759 3.018 ( -0.000 32.456 3.142) 32.608 3.561 ( -0.000 25.491 -0.271) 25.492 5.287 ( -0.000 63.178 -0.664) 63.181 5.659 ( -0.000 10.239 -2.106) 10.453 7.618 ( -0.000 11.173 1.222) 11.240 10.396 ( 0.000 -12.291 -1.624) 12.398 10.612 ( -0.000 -5.146 -1.383) 5.329 12.717 ( -0.000 -1.546 -36.100) 36.133 14.416 ( 0.000 -29.853 20.733) 36.347 17.025 ( -0.000 -0.610 -10.080) 10.098 ======================= Grid point 59 (44/580) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 1.541 17.365 9.227) 19.725 2.234 ( 5.198 15.317 12.015) 20.149 3.382 ( 5.806 27.685 1.628) 28.334 3.909 ( 9.569 28.279 -0.043) 29.854 5.721 ( 2.708 12.671 -4.344) 13.666 6.097 ( 14.721 59.378 1.238) 61.188 7.773 ( 3.344 13.743 1.418) 14.215 10.208 ( -6.521 -13.137 -2.189) 14.829 10.585 ( 2.751 -3.566 -1.280) 4.682 12.602 ( 2.059 -6.814 -30.012) 30.844 14.120 ( -7.064 -29.001 20.841) 36.405 16.940 ( -4.342 -3.459 -10.106) 11.530 ======================= Grid point 60 (45/580) ======================= q-point: ( 0.28 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 5.232 14.781 7.611) 17.429 2.479 ( 5.154 10.767 8.330) 14.556 3.741 ( 7.235 21.399 -1.313) 22.627 4.423 ( 15.904 30.107 -0.094) 34.050 5.894 ( 4.780 13.454 -3.618) 14.729 6.996 ( 23.401 51.768 0.868) 56.818 8.013 ( 6.623 16.541 1.641) 17.893 9.917 ( -10.562 -13.758 -2.998) 17.602 10.635 ( 4.767 1.544 -1.139) 5.139 12.464 ( 1.625 -11.915 -24.302) 27.114 13.744 ( -11.563 -26.354 20.484) 35.325 16.747 ( -8.629 -7.226 -9.740) 14.884 ======================= Grid point 61 (46/580) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 4.439 7.924 8.392) 12.367 2.698 ( 6.499 12.103 3.548) 14.188 4.037 ( 7.375 15.317 -4.518) 17.590 5.006 ( 16.621 29.833 -0.851) 34.162 6.139 ( 7.931 15.574 -1.091) 17.511 7.859 ( 22.426 40.237 0.030) 46.065 8.330 ( 9.298 18.753 1.612) 20.994 9.591 ( -9.231 -13.665 -3.499) 16.858 10.772 ( 5.442 9.228 -1.279) 10.789 12.281 ( 0.106 -15.386 -19.198) 24.603 13.340 ( -13.561 -22.731 18.714) 32.416 16.453 ( -11.771 -11.188 -8.717) 18.431 ======================= Grid point 62 (47/580) ======================= q-point: ( 0.39 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 3.136 1.989 6.661) 7.626 2.949 ( 5.480 14.666 1.851) 15.766 4.278 ( 8.335 9.802 -6.307) 14.329 5.533 ( 12.400 25.896 -1.855) 28.772 6.458 ( 8.953 18.450 2.187) 20.624 8.459 ( 4.245 28.890 -1.647) 29.246 8.701 ( 11.934 19.091 1.157) 22.544 9.394 ( 5.754 -12.493 -2.945) 14.067 10.988 ( 4.496 17.152 -1.528) 17.797 12.060 ( -1.563 -16.628 -13.568) 21.519 12.960 ( -12.119 -18.251 14.849) 26.466 16.088 ( -12.898 -14.597 -7.085) 20.728 ======================= Grid point 63 (48/580) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 2.626 -0.528 4.107) 4.903 3.166 ( 1.781 15.459 1.046) 15.597 4.484 ( 9.664 4.567 -6.315) 12.415 5.913 ( 7.295 17.970 -1.381) 19.444 6.783 ( 2.525 23.351 3.438) 23.737 8.589 ( -9.316 18.785 -2.991) 21.180 9.093 ( 11.182 17.638 0.572) 20.892 9.525 ( 18.075 -9.212 -1.999) 20.385 11.218 ( -0.543 20.446 -1.217) 20.489 11.835 ( -1.643 -15.890 -7.338) 17.580 12.687 ( -5.434 -11.918 9.115) 15.958 15.703 ( -11.416 -16.658 -4.983) 20.800 ======================= Grid point 64 (49/580) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 2.135 -1.809 1.493) 3.171 3.315 ( -2.537 15.481 0.541) 15.697 4.656 ( 9.643 -0.238 -5.278) 10.995 6.135 ( 3.809 8.369 0.532) 9.210 6.988 ( -10.623 30.443 2.089) 32.311 8.650 ( -1.298 15.411 -2.244) 15.628 9.403 ( 6.811 12.239 -0.781) 14.028 9.695 ( 11.728 -8.234 -0.718) 14.347 11.292 ( -14.144 18.701 1.119) 23.474 11.697 ( 6.625 -15.558 -4.057) 17.389 12.609 ( 2.584 -3.927 3.699) 5.981 15.367 ( -6.702 -16.280 -2.537) 17.787 ======================= Grid point 65 (50/580) ======================= q-point: ( 0.56 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 1.194 -2.543 -0.813) 2.925 3.388 ( -6.354 14.523 0.324) 15.856 4.768 ( 7.348 -4.127 -3.715) 9.210 6.226 ( 1.515 0.888 2.244) 2.849 7.054 ( -19.963 36.599 0.374) 41.691 8.788 ( 1.085 9.280 -2.044) 9.564 9.542 ( 0.788 5.435 -0.287) 5.499 9.780 ( 6.152 -5.920 0.806) 8.576 11.194 ( -17.630 20.902 2.022) 27.419 11.695 ( 11.248 -16.482 -2.315) 20.088 12.650 ( 2.395 -1.706 -0.105) 2.943 15.172 ( 1.941 -12.423 0.129) 12.574 ======================= Grid point 66 (51/580) ======================= q-point: (-0.39 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -0.137 -2.829 -2.326) 3.665 3.386 ( -9.532 12.463 0.165) 15.691 4.798 ( 3.111 -6.582 -1.741) 7.486 6.229 ( -1.385 -1.674 2.562) 3.360 7.044 ( -22.825 35.269 -0.349) 42.012 8.790 ( -6.963 3.333 -1.709) 7.907 9.592 ( -2.371 3.785 3.059) 5.414 9.769 ( 1.458 -8.131 -0.036) 8.261 11.174 ( -10.689 24.173 0.615) 26.438 11.723 ( 10.655 -15.367 -0.305) 18.702 12.609 ( -2.673 -5.038 -2.878) 6.388 15.207 ( 12.406 -6.465 2.482) 14.208 ======================= Grid point 67 (52/580) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -1.441 -2.608 -2.792) 4.083 3.308 ( -12.298 9.278 -0.057) 15.405 4.736 ( -2.078 -7.040 0.211) 7.344 6.151 ( -7.845 -0.247 1.784) 8.049 6.951 ( -22.626 23.706 -0.452) 32.773 8.683 ( -9.564 8.091 0.222) 12.530 9.445 ( -15.634 -2.002 2.057) 15.895 9.724 ( 2.386 -11.717 1.165) 12.014 11.278 ( -7.471 23.466 0.178) 24.627 11.756 ( 10.311 -12.044 -0.222) 15.856 12.493 ( -0.771 -6.317 -4.079) 7.559 15.458 ( 19.688 -1.913 3.754) 20.134 ======================= Grid point 68 (53/580) ======================= q-point: (-0.28 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -2.863 -2.035 -2.353) 4.228 3.149 ( -14.578 5.404 -0.197) 15.548 4.594 ( -7.475 -5.499 1.339) 9.376 5.948 ( -18.274 2.357 0.965) 18.451 6.728 ( -21.153 8.053 -0.272) 22.636 8.650 ( -10.341 16.096 1.313) 19.177 9.099 ( -21.378 -2.814 0.984) 21.585 9.573 ( -1.244 -19.507 1.271) 19.588 11.249 ( -18.046 12.900 1.250) 22.218 11.934 ( 20.514 -2.461 -2.571) 20.820 12.490 ( 7.260 -3.573 -2.832) 8.573 15.828 ( 22.402 0.310 3.764) 22.719 ======================= Grid point 69 (54/580) ======================= q-point: (-0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -5.325 -1.241 -1.293) 5.619 2.921 ( -16.030 1.926 -0.137) 16.145 4.381 ( -13.025 -2.874 1.129) 13.386 5.564 ( -29.354 2.169 0.375) 29.437 6.428 ( -17.360 0.046 0.121) 17.361 8.490 ( -28.444 8.638 0.614) 29.733 8.692 ( -22.789 -2.180 0.532) 22.900 9.448 ( 8.898 -11.195 0.798) 14.323 11.013 ( -17.711 4.909 0.400) 18.383 12.339 ( 26.697 1.117 -1.360) 26.754 12.623 ( 10.656 -0.823 -1.710) 10.823 16.224 ( 21.593 0.787 2.522) 21.754 ======================= Grid point 70 (55/580) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -10.599 0.000 0.000) 10.599 2.654 ( -15.763 0.000 0.000) 15.763 4.097 ( -18.743 0.000 0.000) 18.743 5.016 ( -34.900 0.000 0.000) 34.900 6.156 ( -14.451 0.000 0.000) 14.451 7.859 ( -46.838 0.000 0.000) 46.838 8.307 ( -20.918 0.000 0.000) 20.918 9.642 ( 16.742 -0.000 -0.000) 16.742 10.789 ( -10.792 0.000 0.000) 10.792 12.802 ( 10.497 -0.000 -0.000) 10.497 12.829 ( 29.676 -0.000 -0.000) 29.676 16.576 ( 18.201 -0.000 -0.000) 18.201 ======================= Grid point 77 (56/580) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 0.000 13.194 3.573) 13.669 2.378 ( 0.000 13.401 15.216) 20.276 3.616 ( -0.000 26.994 0.603) 27.000 4.100 ( -0.000 28.110 0.163) 28.111 5.818 ( -0.000 13.803 -4.184) 14.423 6.567 ( -0.000 58.449 1.067) 58.459 7.895 ( -0.000 16.016 1.347) 16.072 10.153 ( 0.000 -9.926 -1.796) 10.087 10.499 ( -0.000 -5.362 -1.433) 5.550 12.423 ( -0.000 -9.236 -27.630) 29.132 13.948 ( 0.000 -29.016 19.013) 34.691 16.909 ( -0.000 -5.567 -8.649) 10.285 ======================= Grid point 78 (57/580) ======================= q-point: ( 0.28 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 4.078 11.928 3.076) 12.976 2.543 ( 1.588 8.580 11.967) 14.810 3.883 ( 1.974 22.901 -1.744) 23.052 4.472 ( 10.894 27.791 0.047) 29.850 5.969 ( 2.173 15.347 -3.456) 15.881 7.208 ( 11.091 49.318 0.871) 50.557 8.100 ( 3.785 18.409 1.402) 18.846 9.978 ( -9.543 -7.229 -2.114) 12.157 10.519 ( 7.379 -2.079 -1.118) 7.748 12.252 ( 0.849 -12.408 -23.373) 26.476 13.674 ( -5.221 -27.230 17.246) 32.652 16.771 ( -5.506 -8.438 -7.654) 12.653 ======================= Grid point 79 (58/580) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 2.724 7.519 7.375) 10.878 2.691 ( 6.878 8.295 4.449) 11.658 4.110 ( 2.097 17.522 -4.680) 18.257 4.993 ( 17.177 27.090 -0.671) 32.084 6.182 ( 5.469 16.441 -0.966) 17.353 7.881 ( 17.822 34.991 0.026) 39.268 8.392 ( 7.030 20.607 1.723) 21.841 9.700 ( -14.578 -4.492 -2.675) 15.488 10.696 ( 11.318 5.668 -1.021) 12.700 12.067 ( 0.366 -14.828 -18.603) 23.793 13.345 ( -8.656 -24.389 15.080) 29.952 16.512 ( -10.495 -11.590 -6.808) 17.054 ======================= Grid point 80 (59/580) ======================= q-point: ( 0.39 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 1.349 1.319 6.952) 7.204 2.957 ( 9.574 11.816 2.005) 15.340 4.276 ( 2.415 11.992 -6.598) 13.899 5.536 ( 15.521 24.127 -1.822) 28.746 6.486 ( 10.152 18.394 2.693) 21.181 8.479 ( 20.299 19.555 -1.201) 28.211 8.740 ( 8.015 21.348 1.712) 22.867 9.405 ( -15.240 -0.338 -2.831) 15.504 10.996 ( 12.091 14.223 -1.518) 18.730 11.867 ( -0.263 -15.960 -13.507) 20.910 12.998 ( -10.076 -20.794 12.350) 26.200 16.155 ( -13.710 -14.515 -5.936) 20.830 ======================= Grid point 81 (60/580) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 1.487 -0.939 4.399) 4.737 3.238 ( 7.653 13.338 1.672) 15.468 4.398 ( 3.877 6.307 -6.826) 10.070 5.942 ( 8.514 16.567 -1.362) 18.676 6.905 ( 12.426 23.644 4.348) 27.062 8.924 ( 8.020 14.934 -2.372) 17.117 9.034 ( 5.654 10.914 -0.060) 12.292 9.243 ( 0.162 5.875 -1.008) 5.963 11.332 ( 7.199 17.030 -4.010) 18.919 11.686 ( 0.880 -13.151 -6.473) 14.684 12.685 ( -7.783 -16.345 9.222) 20.317 15.742 ( -14.178 -16.639 -4.909) 22.405 ======================= Grid point 82 (61/580) ======================= q-point: ( 0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 1.607 -2.040 1.923) 3.231 3.475 ( 2.868 14.912 1.338) 15.244 4.498 ( 6.076 0.448 -5.891) 8.475 6.154 ( 3.045 7.740 0.671) 8.344 7.351 ( 5.858 30.246 3.106) 30.964 8.932 ( -12.639 17.033 -1.962) 21.301 9.320 ( 19.782 -5.594 -0.952) 20.580 9.448 ( 5.699 12.991 -0.495) 14.195 11.399 ( 2.228 -11.562 -7.742) 14.092 11.697 ( -4.342 15.075 2.106) 15.828 12.514 ( 1.778 -9.585 5.460) 11.174 15.339 ( -11.028 -17.210 -3.542) 20.745 ======================= Grid point 83 (62/580) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 1.373 -2.470 -0.118) 2.829 3.628 ( -3.188 15.482 0.994) 15.839 4.580 ( 7.580 -4.486 -4.446) 9.866 6.227 ( 0.367 1.656 2.042) 2.654 7.675 ( -7.662 35.741 1.226) 36.574 8.914 ( -5.683 11.078 -1.431) 12.533 9.549 ( 13.941 -6.338 0.362) 15.318 9.615 ( 0.181 10.759 -0.801) 10.790 11.304 ( 8.208 -19.806 -4.964) 22.007 11.697 ( -14.352 18.464 3.635) 23.667 12.562 ( 6.347 -2.453 1.164) 6.903 15.040 ( -3.332 -15.071 -1.582) 15.516 ======================= Grid point 84 (63/580) ======================= q-point: (-0.39 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 0.594 -2.422 -1.383) 2.852 3.674 ( -8.475 13.695 0.596) 16.116 4.638 ( 6.787 -6.873 -2.711) 10.032 6.233 ( -0.426 -0.864 2.230) 2.429 7.784 ( -20.813 34.690 0.131) 40.455 8.917 ( -3.515 5.591 -1.782) 6.841 9.630 ( 3.698 -8.135 -0.405) 8.945 9.705 ( -1.372 9.057 2.648) 9.535 11.264 ( 11.695 -19.858 -4.633) 23.507 11.677 ( -10.649 20.380 5.237) 23.583 12.588 ( -0.757 -4.286 -2.353) 4.948 14.952 ( 7.954 -9.692 0.689) 12.557 ======================= Grid point 85 (64/580) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -0.485 -1.908 -1.675) 2.585 3.612 ( -12.205 9.438 0.166) 15.429 4.657 ( 3.484 -6.165 -0.954) 7.146 6.213 ( -1.624 -1.127 1.540) 2.506 7.645 ( -28.574 23.031 -0.162) 36.700 8.909 ( -5.601 11.089 -1.422) 12.504 9.550 ( -0.108 -14.150 0.002) 14.150 9.698 ( -9.005 4.012 3.266) 10.385 11.319 ( 15.022 -10.814 -3.849) 18.906 11.745 ( -8.319 19.523 5.578) 21.942 12.447 ( -4.597 -9.757 -4.438) 11.663 15.114 ( 17.514 -4.005 1.925) 18.069 ======================= Grid point 86 (65/580) ======================= q-point: (-0.28 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -1.609 -1.042 -1.109) 2.215 3.449 ( -14.596 4.205 -0.064) 15.189 4.627 ( -1.397 -3.328 0.134) 3.611 6.149 ( -5.995 -0.379 0.646) 6.041 7.282 ( -31.115 8.688 -0.147) 32.306 8.960 ( -5.571 19.141 -0.459) 19.941 9.342 ( -7.612 -14.698 0.064) 16.552 9.499 ( -13.067 -5.680 1.923) 14.378 11.547 ( 19.624 -2.227 -2.089) 19.860 11.703 ( -18.347 10.884 2.940) 21.534 12.327 ( 4.647 -6.870 -2.742) 8.735 15.445 ( 22.418 -0.827 1.574) 22.488 ======================= Grid point 87 (66/580) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -2.990 0.000 0.000) 2.990 3.207 ( -15.857 0.000 0.000) 15.857 4.540 ( -7.072 0.000 0.000) 7.072 5.970 ( -16.177 0.000 0.000) 16.177 6.810 ( -26.892 0.000 0.000) 26.892 8.971 ( -18.349 0.000 0.000) 18.349 9.030 ( -15.538 0.000 0.000) 15.538 9.271 ( -0.829 0.000 0.000) 0.829 11.389 ( -22.202 0.000 0.000) 22.202 11.908 ( 23.653 -0.000 -0.000) 23.653 12.435 ( 10.044 -0.000 -0.000) 10.044 15.842 ( 23.466 -0.000 -0.000) 23.466 ======================= Grid point 96 (67/580) ======================= q-point: ( 0.28 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -0.000 9.470 1.379) 9.570 2.639 ( 0.000 5.676 10.803) 12.204 4.083 ( -0.000 20.996 -3.227) 21.243 4.633 ( -0.000 25.118 0.032) 25.118 6.095 ( -0.000 15.714 -3.090) 16.015 7.562 ( -0.000 39.384 0.578) 39.389 8.259 ( -0.000 19.954 0.766) 19.968 10.059 ( -0.000 3.471 -1.212) 3.677 10.389 ( 0.000 -5.025 -0.861) 5.098 12.059 ( -0.000 -12.491 -20.220) 23.767 13.497 ( 0.000 -26.377 14.233) 29.972 16.708 ( -0.000 -10.438 -6.067) 12.073 ======================= Grid point 97 (68/580) ======================= q-point: ( 0.33 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 5.841 8.581 0.876) 10.417 2.708 ( 0.145 2.334 8.616) 8.928 4.258 ( -0.378 17.088 -5.364) 17.914 4.978 ( 12.200 23.140 -0.345) 26.162 6.261 ( 2.909 14.655 -1.415) 15.007 7.954 ( 8.067 24.809 -0.534) 26.093 8.502 ( 4.450 21.243 0.601) 21.712 9.959 ( -14.669 6.197 -1.193) 15.969 10.513 ( 14.085 2.940 -0.200) 14.390 11.884 ( -0.444 -11.678 -16.022) 19.832 13.249 ( -3.889 -24.266 11.447) 27.111 16.524 ( -6.300 -12.651 -4.999) 14.991 ======================= Grid point 98 (69/580) ======================= q-point: ( 0.39 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 0.139 -0.020 6.283) 6.284 2.881 ( 10.648 8.373 1.020) 13.584 4.373 ( -1.117 12.604 -6.828) 14.378 5.470 ( 17.984 21.888 -1.154) 28.352 6.487 ( 8.211 12.780 1.593) 15.274 8.310 ( 13.548 10.353 -2.064) 17.176 8.822 ( 7.433 21.412 0.961) 22.686 9.748 ( -17.228 8.673 -1.516) 19.347 10.858 ( 17.442 10.695 0.094) 20.460 11.715 ( -2.226 -10.189 -11.771) 15.727 12.964 ( -6.442 -20.915 8.874) 23.616 16.219 ( -11.768 -14.573 -4.331) 19.226 ======================= Grid point 99 (70/580) ======================= q-point: ( 0.44 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 0.424 -1.563 4.053) 4.365 3.174 ( 12.686 9.022 1.214) 15.614 4.433 ( -1.316 8.039 -6.835) 10.634 5.939 ( 11.883 17.963 -1.204) 21.572 6.838 ( 17.786 13.684 3.723) 22.747 8.615 ( 17.221 0.179 -2.663) 17.427 9.158 ( 6.871 19.657 1.034) 20.849 9.554 ( -16.389 12.211 -1.876) 20.523 11.293 ( 17.463 15.113 -0.836) 23.109 11.534 ( -3.389 -10.540 -7.270) 13.245 12.681 ( -7.479 -16.146 6.745) 19.030 15.823 ( -15.105 -15.744 -3.895) 22.164 ======================= Grid point 100 (71/580) ======================= q-point: ( 0.50 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 0.815 -2.205 1.968) 3.066 3.484 ( 11.461 10.374 1.444) 15.527 4.451 ( -0.733 2.933 -5.881) 6.612 6.192 ( 2.725 9.499 0.524) 9.896 7.372 ( 22.222 19.974 3.084) 30.038 8.899 ( 19.409 -4.379 -1.809) 19.979 9.328 ( -11.873 14.561 -0.519) 18.795 9.522 ( 1.939 15.098 -1.049) 15.258 11.303 ( -7.165 -9.716 -6.450) 13.687 11.757 ( 16.367 13.873 0.785) 21.470 12.448 ( -5.454 -10.908 5.382) 13.330 15.392 ( -15.193 -15.754 -3.433) 22.154 ======================= Grid point 101 (72/580) ======================= q-point: ( 0.56 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 1.087 -2.206 0.351) 2.484 3.759 ( 6.285 12.679 1.691) 14.252 4.438 ( 1.464 -3.200 -4.761) 5.920 6.261 ( -1.120 2.982 1.580) 3.556 7.939 ( 14.700 26.385 2.044) 30.273 9.111 ( 3.385 -4.072 -2.966) 6.069 9.283 ( 1.677 8.979 1.992) 9.349 9.718 ( 2.823 13.624 -1.444) 13.988 11.052 ( -4.292 -17.122 -4.206) 18.146 12.052 ( -3.585 16.304 1.207) 16.737 12.381 ( 8.982 -6.283 3.185) 11.415 15.006 ( -10.646 -14.094 -2.523) 17.842 ======================= Grid point 102 (73/580) ======================= q-point: ( 0.61 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 0.938 -1.771 -0.562) 2.081 3.927 ( -3.624 13.801 1.538) 14.352 4.432 ( 6.611 -8.093 -3.347) 10.973 6.251 ( -1.695 0.071 1.551) 2.299 8.341 ( -3.379 29.568 1.209) 29.785 9.009 ( -4.543 -1.353 -2.037) 5.159 9.446 ( 7.429 -4.610 0.886) 8.788 9.886 ( -1.408 17.858 0.737) 17.929 10.836 ( 6.541 -24.492 -3.520) 25.593 12.057 ( -9.781 14.565 3.575) 17.905 12.515 ( 5.635 -2.654 -1.081) 6.322 14.780 ( -0.186 -9.810 -0.879) 9.851 ======================= Grid point 103 (74/580) ======================= q-point: (-0.33 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 0.312 -0.998 -0.651) 1.231 3.901 ( -11.417 7.369 0.483) 13.597 4.495 ( 8.465 -5.003 -1.197) 9.905 6.228 ( -1.114 -0.458 0.876) 1.489 8.308 ( -25.533 15.037 0.172) 29.633 9.042 ( 3.932 8.651 -0.937) 9.549 9.410 ( -1.034 -11.817 -0.198) 11.864 9.938 ( -10.893 9.529 2.268) 14.650 10.862 ( 20.793 -14.427 -2.454) 25.426 12.081 ( -5.885 15.406 4.372) 17.061 12.442 ( -6.900 -8.284 -3.651) 11.383 14.818 ( 12.039 -3.811 0.387) 12.634 ======================= Grid point 104 (75/580) ======================= q-point: (-0.28 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -0.587 0.000 0.000) 0.587 3.716 ( -13.773 0.000 0.000) 13.773 4.584 ( 4.310 -0.000 -0.000) 4.310 6.206 ( -1.698 0.000 0.000) 1.698 7.876 ( -31.658 0.000 0.000) 31.658 9.209 ( 2.647 -0.000 -0.000) 2.647 9.222 ( -6.487 0.000 0.000) 6.487 9.754 ( -14.578 0.000 0.000) 14.578 11.171 ( 21.487 -0.000 -0.000) 21.487 12.116 ( -18.281 0.000 0.000) 18.281 12.194 ( 2.975 -0.000 -0.000) 2.975 15.079 ( 19.426 -0.000 -0.000) 19.426 ======================= Grid point 115 (76/580) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -0.000 6.798 0.115) 6.799 2.743 ( 0.000 0.241 6.726) 6.731 4.404 ( -0.000 14.499 -6.515) 15.895 5.073 ( -0.000 19.214 -0.246) 19.215 6.362 ( -0.000 11.596 -1.026) 11.641 8.082 ( -0.000 15.046 -1.951) 15.172 8.672 ( -0.000 21.333 -0.664) 21.343 10.293 ( 0.000 -4.619 0.464) 4.642 10.295 ( -0.000 17.883 0.450) 17.888 11.762 ( -0.000 -5.828 -12.276) 13.589 13.076 ( 0.000 -22.657 8.311) 24.133 16.436 ( -0.000 -13.953 -3.680) 14.430 ======================= Grid point 116 (77/580) ======================= q-point: ( 0.39 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -0.181 -1.353 4.913) 5.099 2.796 ( 6.999 5.963 -0.052) 9.195 4.497 ( -1.529 11.024 -7.182) 13.246 5.374 ( 14.134 17.186 -0.549) 22.259 6.486 ( 3.584 7.514 0.660) 8.351 8.232 ( 5.357 7.734 -3.653) 10.092 8.921 ( 4.930 20.703 -0.990) 21.305 10.082 ( -13.705 3.271 0.439) 14.097 10.656 ( 16.110 8.869 1.895) 18.487 11.687 ( -2.977 1.192 -8.850) 9.413 12.863 ( -2.730 -19.190 5.817) 20.237 16.225 ( -6.754 -14.857 -2.901) 16.576 ======================= Grid point 117 (78/580) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -0.138 -2.123 3.136) 3.789 3.023 ( 12.581 5.634 0.290) 13.788 4.532 ( -2.697 7.660 -6.570) 10.446 5.850 ( 19.384 17.482 -0.922) 26.119 6.654 ( 11.282 2.336 2.431) 11.775 8.401 ( 9.415 3.557 -4.003) 10.831 9.225 ( 7.320 18.667 -0.663) 20.062 9.893 ( -13.145 4.775 -0.120) 13.986 11.033 ( 20.302 3.336 2.962) 20.786 11.608 ( -8.065 5.413 -6.877) 11.901 12.654 ( -4.403 -13.015 4.102) 14.339 15.904 ( -12.442 -14.760 -2.548) 19.472 ======================= Grid point 118 (79/580) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 0.160 -2.186 1.598) 2.712 3.324 ( 15.521 5.628 0.673) 16.524 4.519 ( -3.812 4.369 -5.050) 7.689 6.238 ( 5.697 12.633 0.053) 13.858 7.027 ( 29.974 3.657 2.098) 30.269 8.607 ( 12.781 1.701 -2.449) 13.124 9.504 ( 5.419 14.419 -0.628) 15.417 9.729 ( -11.605 5.772 -0.661) 12.978 11.363 ( 3.251 -3.402 2.425) 5.294 11.531 ( 7.881 6.537 -4.971) 11.382 12.489 ( -5.677 -4.907 3.179) 8.150 15.511 ( -15.880 -13.267 -2.375) 20.829 ======================= Grid point 119 (80/580) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 0.581 -1.724 0.484) 1.882 3.654 ( 15.786 5.913 0.986) 16.885 4.456 ( -5.144 0.720 -3.504) 6.265 6.331 ( -2.304 4.294 0.997) 4.974 7.687 ( 35.345 10.294 1.068) 36.829 8.841 ( 13.524 -0.867 -0.677) 13.569 9.554 ( -11.869 8.159 0.458) 14.410 9.741 ( 5.899 7.604 -2.061) 9.842 11.126 ( -16.886 -5.140 -1.894) 17.753 11.924 ( 24.241 1.657 -0.167) 24.298 12.378 ( -6.647 1.574 2.861) 7.406 15.110 ( -15.900 -10.311 -1.994) 19.055 ======================= Grid point 120 (81/580) ======================= q-point: ( 0.61 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 0.874 -0.945 -0.071) 1.289 3.974 ( 13.468 7.001 1.426) 15.246 4.336 ( -6.149 -3.813 -2.503) 7.656 6.303 ( -3.365 0.723 0.742) 3.521 8.359 ( 27.595 13.225 0.923) 30.615 8.970 ( 2.831 -5.926 -1.061) 6.653 9.445 ( -6.977 4.167 1.013) 8.190 9.960 ( 11.693 9.876 -1.069) 15.343 10.730 ( -18.634 -11.357 -1.349) 21.864 12.292 ( 5.758 5.648 -2.104) 8.336 12.313 ( 4.895 -1.105 3.726) 6.250 14.790 ( -10.487 -5.793 -1.025) 12.024 ======================= Grid point 121 (82/580) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 0.802 -0.000 -0.000) 0.802 4.139 ( -10.870 0.000 0.000) 10.870 4.271 ( 13.432 -0.000 -0.000) 13.432 6.256 ( -2.331 0.000 0.000) 2.331 8.775 ( -17.621 0.000 0.000) 17.621 8.860 ( 18.906 -0.000 -0.000) 18.906 9.396 ( -2.141 0.000 0.000) 2.141 10.287 ( -19.995 0.000 0.000) 19.995 10.362 ( 23.727 -0.000 -0.000) 23.727 12.241 ( -4.732 0.000 0.000) 4.732 12.464 ( 1.939 -0.000 -0.000) 1.939 14.675 ( 1.250 -0.000 -0.000) 1.250 ======================= Grid point 134 (83/580) ======================= q-point: ( 0.39 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 0.000 -2.145 3.261) 3.903 2.782 ( -0.000 4.450 -0.405) 4.468 4.587 ( -0.000 8.329 -7.149) 10.976 5.384 ( -0.000 12.541 -0.370) 12.547 6.517 ( 0.000 4.173 0.970) 4.284 8.242 ( -0.000 5.692 -5.453) 7.883 9.068 ( -0.000 19.020 -2.388) 19.169 10.211 ( 0.000 -4.491 2.120) 4.966 10.588 ( 0.000 7.810 3.435) 8.532 11.758 ( -0.000 10.128 -6.484) 12.026 12.727 ( 0.000 -14.884 3.673) 15.331 16.131 ( 0.000 -14.712 -1.947) 14.840 ======================= Grid point 135 (84/580) ======================= q-point: ( 0.44 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -0.191 -2.287 1.987) 3.036 2.888 ( 7.799 3.539 -0.301) 8.570 4.621 ( -1.748 5.704 -5.984) 8.450 5.649 ( 17.531 11.024 -0.523) 20.716 6.563 ( 2.084 0.214 1.681) 2.686 8.311 ( 4.455 4.032 -5.609) 8.220 9.282 ( 5.118 16.130 -2.474) 17.102 10.094 ( -8.116 -1.626 2.130) 8.547 10.767 ( 12.709 0.599 4.606) 13.531 11.798 ( -5.706 9.264 -5.387) 12.141 12.611 ( -1.613 -6.881 2.469) 7.486 15.927 ( -6.861 -13.309 -1.461) 15.045 ======================= Grid point 136 (85/580) ======================= q-point: ( 0.50 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -0.145 -1.824 0.998) 2.085 3.108 ( 13.880 2.826 0.041) 14.165 4.609 ( -3.201 3.469 -3.934) 6.144 6.154 ( 23.653 13.694 -0.766) 27.342 6.618 ( 9.932 -6.263 1.962) 11.904 8.445 ( 8.730 3.030 -3.620) 9.924 9.516 ( 6.430 10.665 -1.943) 12.604 9.948 ( -9.307 1.429 1.565) 9.545 11.049 ( 19.835 -1.829 4.289) 20.376 11.697 ( -11.427 3.210 -4.681) 12.759 12.548 ( -3.232 0.313 1.714) 3.672 15.638 ( -12.549 -10.157 -1.221) 16.190 ======================= Grid point 137 (86/580) ======================= q-point: ( 0.56 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 0.127 -0.980 0.325) 1.040 3.402 ( 17.232 1.918 0.223) 17.340 4.554 ( -5.091 1.349 -1.843) 5.580 6.422 ( -2.246 5.168 0.295) 5.642 7.047 ( 41.792 -0.722 0.470) 41.801 8.639 ( 11.481 1.670 -1.065) 11.651 9.680 ( 5.357 3.820 -1.512) 6.751 9.808 ( -10.237 2.669 0.977) 10.624 11.387 ( -0.353 2.918 5.254) 6.020 11.505 ( 8.844 -4.035 -5.658) 11.248 12.499 ( -4.609 1.925 1.035) 5.101 15.308 ( -16.109 -5.495 -0.849) 17.042 ======================= Grid point 138 (87/580) ======================= q-point: (-0.39 -0.61 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 0.531 -0.000 -0.000) 0.531 3.717 ( 17.968 -0.000 -0.000) 17.968 4.451 ( -7.285 0.000 0.000) 7.285 6.376 ( -4.288 0.000 0.000) 4.288 7.790 ( 41.929 -0.000 -0.000) 41.929 8.836 ( 9.910 -0.000 -0.000) 9.910 9.640 ( -11.240 0.000 0.000) 11.240 9.805 ( 8.496 -0.000 -0.000) 8.496 11.074 ( -23.017 0.000 0.000) 23.017 11.916 ( 26.107 -0.000 -0.000) 26.107 12.428 ( -5.278 0.000 0.000) 5.278 14.997 ( -16.183 0.000 0.000) 16.183 ======================= Grid point 154 (88/580) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 0.000 -1.903 1.021) 2.160 2.845 ( -0.000 2.205 -0.362) 2.234 4.665 ( -0.000 3.468 -4.574) 5.740 5.565 ( -0.000 6.099 -0.267) 6.105 6.559 ( 0.000 0.072 1.322) 1.324 8.290 ( -0.000 2.768 -5.293) 5.973 9.369 ( -0.000 12.292 -2.839) 12.616 10.141 ( 0.000 -3.847 2.649) 4.671 10.679 ( 0.000 0.871 4.891) 4.968 11.901 ( -0.000 3.495 -4.276) 5.523 12.604 ( 0.000 1.228 1.558) 1.983 15.864 ( 0.000 -10.448 -0.814) 10.480 ======================= Grid point 155 (89/580) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -0.142 -1.055 0.423) 1.146 2.933 ( 8.215 1.174 -0.148) 8.300 4.667 ( -1.560 1.681 -2.294) 3.244 5.797 ( 21.238 4.001 -0.251) 21.613 6.551 ( -0.913 -1.123 0.876) 1.692 8.340 ( 4.889 1.506 -2.824) 5.843 9.499 ( 4.464 6.400 -1.674) 7.981 10.075 ( -4.615 -1.085 1.596) 5.002 10.784 ( 10.209 -0.527 2.955) 10.641 11.854 ( -5.822 0.036 -2.497) 6.334 12.618 ( -2.121 2.992 0.771) 3.748 15.723 ( -6.751 -5.749 -0.446) 8.878 ======================= Grid point 156 (90/580) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -0.118 0.000 0.000) 0.118 3.136 ( 14.337 -0.000 -0.000) 14.337 4.631 ( -3.269 0.000 0.000) 3.269 6.335 ( 37.389 -0.000 -0.000) 37.389 6.508 ( -2.947 0.000 0.000) 2.947 8.466 ( 9.178 -0.000 -0.000) 9.178 9.611 ( 4.991 -0.000 -0.000) 4.991 9.974 ( -7.362 0.000 0.000) 7.362 11.042 ( 20.139 -0.000 -0.000) 20.139 11.697 ( -12.160 0.000 0.000) 12.160 12.582 ( -3.750 0.000 0.000) 3.750 15.527 ( -12.463 0.000 0.000) 12.463 ======================= Grid point 175 (91/580) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 820 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 5.624 ( 0.000 0.000 0.000) 0.000 6.560 ( 0.000 0.000 0.000) 0.000 8.300 ( -0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 10.106 ( 0.000 0.000 0.000) 0.000 10.703 ( 0.000 0.000 0.000) 0.000 11.896 ( -0.000 0.000 0.000) 0.000 12.657 ( -0.000 0.000 0.000) 0.000 15.751 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 350 (92/580) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 0.000 -0.000 31.203) 31.203 0.273 ( 0.000 -0.000 31.203) 31.203 0.592 ( 0.000 -0.000 67.861) 67.861 2.805 ( -0.000 0.000 -1.883) 1.883 2.805 ( -0.000 0.000 -1.883) 1.883 7.142 ( -0.000 0.000 -6.884) 6.884 7.312 ( 0.000 -0.000 0.767) 0.767 7.312 ( 0.000 -0.000 0.767) 0.767 10.803 ( -0.000 0.000 -0.547) 0.547 10.803 ( -0.000 0.000 -0.547) 0.547 15.350 ( 0.000 -0.000 0.741) 0.741 17.379 ( -0.000 0.000 -0.121) 0.121 ======================= Grid point 351 (93/580) ======================= q-point: ( 0.11 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 26.164 15.106 10.443) 31.966 0.819 ( 16.842 9.724 34.719) 39.795 1.438 ( 45.023 25.994 23.688) 57.131 2.873 ( 6.778 3.913 -2.749) 8.296 3.132 ( 28.839 16.650 -1.314) 33.327 5.578 ( -5.765 -3.328 10.718) 12.617 7.346 ( 2.689 1.552 1.107) 3.296 10.753 ( -4.105 -2.370 -1.166) 4.881 10.780 ( -1.867 -1.078 -0.597) 2.237 12.293 ( 70.867 40.915 -138.913) 161.223 15.281 ( -10.864 -6.272 10.416) 16.305 17.037 ( -8.621 -4.977 4.800) 11.051 ======================= Grid point 352 (94/580) ======================= q-point: ( 0.17 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 18.861 10.889 23.119) 31.762 1.343 ( 24.221 13.984 5.061) 28.422 2.383 ( 33.220 19.180 11.811) 40.137 3.106 ( 14.583 8.419 -2.984) 17.101 4.076 ( 51.475 29.719 1.031) 59.447 5.562 ( 1.477 0.853 0.116) 1.709 7.443 ( 5.582 3.223 1.171) 6.551 10.606 ( -8.384 -4.841 -1.951) 9.876 10.718 ( -3.303 -1.907 -0.591) 3.859 12.830 ( 15.602 9.008 -55.039) 57.912 14.929 ( -22.607 -13.052 21.296) 33.689 16.951 ( -0.507 -0.293 -13.319) 13.332 ======================= Grid point 353 (95/580) ======================= q-point: ( 0.22 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 18.711 10.803 14.549) 26.048 1.841 ( 18.362 10.602 2.776) 21.384 3.069 ( 25.598 14.779 5.952) 30.151 3.517 ( 21.835 12.607 -2.383) 25.326 5.337 ( 56.255 32.479 1.468) 64.975 5.636 ( 5.761 3.326 -3.560) 7.545 7.611 ( 8.982 5.186 0.853) 10.407 10.367 ( -11.513 -6.647 -2.988) 13.626 10.632 ( -4.001 -2.310 -0.453) 4.642 12.905 ( 3.348 1.933 -30.653) 30.896 14.426 ( -26.717 -15.425 24.774) 39.566 16.875 ( -2.884 -1.665 -17.229) 17.548 ======================= Grid point 354 (96/580) ======================= q-point: ( 0.28 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 13.174 7.606 1.245) 15.263 2.233 ( 15.879 9.168 9.937) 20.855 3.602 ( 20.544 11.861 0.946) 23.741 4.053 ( 24.770 14.301 -1.451) 28.638 5.806 ( 10.519 6.073 -5.176) 13.203 6.564 ( 49.129 28.365 1.032) 56.739 7.860 ( 12.813 7.397 0.175) 14.796 10.099 ( -9.959 -5.750 -3.745) 12.095 10.538 ( -4.056 -2.342 -0.101) 4.684 12.831 ( -2.955 -1.706 -22.123) 22.385 13.882 ( -26.988 -15.582 25.747) 40.424 16.711 ( -7.250 -4.186 -15.925) 17.991 ======================= Grid point 355 (97/580) ======================= q-point: ( 0.33 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 9.769 5.640 0.327) 11.285 2.565 ( 10.822 6.248 7.678) 14.667 4.026 ( 17.461 10.081 -3.629) 20.486 4.598 ( 22.616 13.057 -0.796) 26.126 6.068 ( 12.865 7.428 -3.887) 15.356 7.493 ( 30.485 17.600 -1.111) 35.218 8.194 ( 16.438 9.491 -0.738) 18.996 9.974 ( 1.917 1.107 -3.389) 4.048 10.448 ( -3.935 -2.272 0.507) 4.572 12.647 ( -7.912 -4.568 -18.175) 20.342 13.369 ( -23.774 -13.726 23.811) 36.340 16.460 ( -10.879 -6.281 -12.487) 17.713 ======================= Grid point 356 (98/580) ======================= q-point: ( 0.39 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 7.224 4.171 -0.138) 8.343 2.772 ( 5.878 3.394 5.738) 8.888 4.389 ( 15.675 9.050 -6.025) 19.076 5.056 ( 17.471 10.087 -0.492) 20.180 6.319 ( 8.486 4.900 -1.588) 9.927 7.937 ( 11.657 6.730 -3.897) 14.013 8.594 ( 18.669 10.778 -1.710) 21.625 10.182 ( 14.309 8.261 -1.636) 16.604 10.358 ( -4.317 -2.493 1.330) 5.160 12.387 ( -9.922 -5.729 -11.789) 16.439 12.965 ( -16.278 -9.398 16.029) 24.703 16.156 ( -12.881 -7.437 -8.260) 17.013 ======================= Grid point 357 (99/580) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 4.881 2.818 -0.324) 5.645 2.880 ( 2.815 1.625 3.378) 4.689 4.699 ( 12.772 7.374 -6.206) 16.001 5.384 ( 11.462 6.618 -0.374) 13.241 6.402 ( -1.041 -0.601 0.629) 1.356 8.167 ( 12.142 7.010 -5.306) 14.991 9.016 ( 18.445 10.649 -2.558) 21.452 10.251 ( -5.721 -3.303 2.212) 6.967 10.417 ( 2.856 1.649 0.765) 3.386 12.206 ( -2.525 -1.458 -5.873) 6.557 12.735 ( -6.469 -3.735 7.192) 10.369 15.842 ( -12.605 -7.277 -4.185) 15.144 ======================= Grid point 358 (100/580) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 2.509 1.449 -0.343) 2.918 2.929 ( 0.993 0.573 0.778) 1.386 4.921 ( 7.928 4.577 -5.099) 10.478 5.578 ( 5.634 3.253 -0.278) 6.512 6.324 ( -4.550 -2.627 2.198) 5.695 8.468 ( 14.177 8.185 -5.122) 17.153 9.398 ( 15.247 8.803 -3.066) 17.870 10.105 ( -7.744 -4.471 2.880) 9.394 10.307 ( -10.137 -5.853 3.341) 12.173 12.194 ( 0.774 0.447 -3.333) 3.451 12.720 ( 2.900 1.675 1.930) 3.865 15.586 ( -8.436 -4.870 -0.756) 9.770 ======================= Grid point 359 (101/580) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 0.081 0.047 -0.261) 0.277 2.931 ( -0.658 -0.380 -1.674) 1.838 5.019 ( 1.476 0.852 -2.866) 3.335 5.642 ( 0.082 0.047 -0.135) 0.165 6.267 ( -0.396 -0.228 2.776) 2.813 8.672 ( 2.064 1.191 -2.730) 3.624 9.632 ( 2.427 1.401 -1.490) 3.174 9.959 ( -2.343 -1.353 1.515) 3.101 10.149 ( -1.246 -0.719 3.409) 3.700 12.202 ( 0.837 0.483 -1.555) 1.831 12.768 ( -0.873 -0.504 -1.089) 1.484 15.493 ( 0.790 0.456 2.073) 2.265 ======================= Grid point 360 (102/580) ======================= q-point: (-0.39 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -2.367 -1.367 -0.115) 2.736 2.891 ( -2.182 -1.260 -3.425) 4.252 4.968 ( -5.517 -3.185 0.050) 6.370 5.580 ( -5.486 -3.168 0.038) 6.335 6.324 ( 4.110 2.373 2.190) 5.227 8.533 ( -11.797 -6.811 1.997) 13.768 9.446 ( -14.821 -8.557 2.219) 17.257 10.060 ( 7.466 4.311 -1.984) 8.847 10.286 ( 9.705 5.603 1.021) 11.252 12.222 ( 0.751 0.433 -0.288) 0.913 12.669 ( -5.278 -3.047 -3.568) 7.062 15.634 ( 10.137 5.853 4.541) 12.555 ======================= Grid point 361 (103/580) ======================= q-point: (-0.33 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -4.799 -2.771 0.077) 5.542 2.813 ( -3.753 -2.167 -4.131) 5.987 4.776 ( -11.397 -6.580 2.411) 13.379 5.390 ( -11.323 -6.538 0.229) 13.077 6.409 ( 1.374 0.793 1.416) 2.127 8.257 ( -11.835 -6.833 4.708) 14.454 9.062 ( -18.814 -10.862 2.495) 21.867 10.212 ( 6.165 3.560 -2.112) 7.426 10.420 ( -1.485 -0.857 1.030) 2.000 12.245 ( 4.005 2.312 -2.624) 5.317 12.622 ( 3.026 1.747 -4.087) 5.377 15.942 ( 14.587 8.422 6.741) 18.143 ======================= Grid point 362 (104/580) ======================= q-point: (-0.28 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -7.255 -4.189 0.319) 8.384 2.688 ( -6.518 -3.763 -3.675) 8.376 4.473 ( -15.801 -9.123 3.376) 18.555 5.065 ( -17.264 -9.968 0.501) 19.942 6.347 ( -7.322 -4.227 1.509) 8.588 8.009 ( -13.448 -7.764 4.132) 16.069 8.628 ( -19.323 -11.156 2.075) 22.408 10.216 ( -13.230 -7.638 2.226) 15.438 10.331 ( 4.913 2.836 -1.688) 5.918 12.489 ( 18.325 10.580 -7.032) 22.298 12.740 ( 7.067 4.080 -2.330) 8.486 16.307 ( 15.009 8.665 8.387) 19.253 ======================= Grid point 363 (105/580) ======================= q-point: (-0.22 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -9.973 -5.758 0.675) 11.536 2.480 ( -11.313 -6.532 -1.911) 13.203 4.080 ( -19.488 -11.251 2.459) 22.637 4.613 ( -22.259 -12.851 0.919) 25.719 6.120 ( -11.864 -6.849 1.863) 13.825 7.517 ( -32.589 -18.815 1.551) 37.662 8.213 ( -17.196 -9.928 1.403) 19.906 10.028 ( -1.394 -0.805 2.669) 3.117 10.432 ( 4.491 2.593 -1.208) 5.325 12.895 ( 9.361 5.405 -13.146) 17.019 12.983 ( 23.146 13.363 3.530) 26.958 16.654 ( 12.797 7.388 8.906) 17.253 ======================= Grid point 364 (106/580) ======================= q-point: (-0.17 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -17.247 -9.957 0.962) 19.938 2.203 ( -13.594 -7.848 1.350) 15.755 3.595 ( -23.542 -13.592 0.271) 27.186 4.078 ( -24.303 -14.031 1.351) 28.095 5.862 ( -10.541 -6.086 1.135) 12.225 6.554 ( -50.184 -28.974 -0.135) 57.948 7.865 ( -13.497 -7.792 0.716) 15.601 10.150 ( 9.625 5.557 1.984) 11.290 10.532 ( 4.484 2.589 -0.833) 5.244 13.047 ( 6.851 3.956 -6.547) 10.269 13.562 ( 26.486 15.292 -1.442) 30.618 16.925 ( 8.561 4.943 7.781) 12.580 ======================= Grid point 365 (107/580) ======================= q-point: (-0.11 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -22.241 -12.841 4.651) 26.100 1.842 ( -18.962 -10.948 2.817) 22.076 3.002 ( -28.518 -16.465 -1.501) 32.964 3.551 ( -21.514 -12.421 1.344) 24.879 5.308 ( -56.016 -32.341 -1.657) 64.703 5.673 ( -7.366 -4.253 0.602) 8.527 7.605 ( -9.446 -5.453 0.245) 10.909 10.402 ( 10.985 6.342 0.890) 12.716 10.630 ( 4.290 2.477 -0.606) 4.990 13.168 ( 5.474 3.161 -7.776) 10.021 14.164 ( 25.945 14.980 1.592) 30.001 17.077 ( 3.002 1.733 4.702) 5.842 ======================= Grid point 366 (108/580) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -24.707 -14.265 11.247) 30.666 1.350 ( -25.187 -14.542 5.725) 29.641 2.266 ( -36.691 -21.183 -1.300) 42.387 3.137 ( -14.643 -8.454 0.543) 16.917 4.056 ( -50.630 -29.231 -1.269) 58.476 5.555 ( -3.421 -1.975 -0.213) 3.956 7.433 ( -5.766 -3.329 0.133) 6.659 10.624 ( 7.996 4.616 0.084) 9.233 10.719 ( 3.483 2.011 -0.509) 4.054 13.236 ( 3.058 1.766 -19.787) 20.100 14.738 ( 22.837 13.185 7.576) 27.437 17.089 ( -2.296 -1.326 0.179) 2.658 ======================= Grid point 369 (109/580) ======================= q-point: ( 0.11 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.000 29.067 18.552) 34.483 0.974 ( 0.000 24.880 30.932) 39.696 1.425 ( 0.000 44.403 28.911) 52.986 2.877 ( -0.000 8.516 -2.528) 8.883 3.112 ( -0.000 32.738 -2.630) 32.843 5.602 ( 0.000 -10.437 11.378) 15.440 7.346 ( 0.000 2.998 1.075) 3.185 10.754 ( -0.000 -4.531 -1.153) 4.675 10.774 ( -0.000 -2.353 -0.995) 2.555 11.864 ( -0.000 100.607 -138.813) 171.438 15.306 ( 0.000 -10.276 8.343) 13.236 17.074 ( 0.000 -11.090 4.324) 11.903 ======================= Grid point 370 (110/580) ======================= q-point: ( 0.17 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 7.056 23.093 19.315) 30.922 1.368 ( 7.893 24.029 22.255) 33.689 2.165 ( 23.847 32.003 15.227) 42.717 3.031 ( 6.633 13.897 -2.880) 15.665 3.756 ( 28.421 46.169 -0.412) 54.217 5.557 ( -0.121 -0.965 1.671) 1.933 7.413 ( 2.956 4.730 1.324) 5.733 10.655 ( -4.667 -7.110 -1.738) 8.680 10.730 ( -1.291 -3.039 -1.066) 3.470 12.465 ( 20.377 28.967 -74.618) 82.596 15.109 ( -10.510 -19.253 17.860) 28.286 16.961 ( -3.734 -0.287 -9.542) 10.251 ======================= Grid point 371 (111/580) ======================= q-point: ( 0.22 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 12.564 16.263 15.817) 25.933 1.803 ( 10.132 20.961 12.236) 26.301 2.854 ( 22.086 21.625 8.056) 31.943 3.368 ( 14.090 19.770 -2.440) 24.399 4.871 ( 43.640 48.020 1.206) 64.898 5.588 ( 2.812 3.384 -3.138) 5.404 7.549 ( 5.802 6.944 1.317) 9.144 10.448 ( -8.688 -9.914 -2.804) 13.477 10.668 ( -2.434 -2.304 -0.901) 3.471 12.710 ( 10.212 5.672 -41.202) 42.826 14.703 ( -18.720 -22.517 23.935) 37.820 16.873 ( -3.557 1.097 -17.019) 17.421 ======================= Grid point 372 (112/580) ======================= q-point: ( 0.28 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 12.895 12.593 8.489) 19.923 2.181 ( 9.354 15.547 9.619) 20.536 3.403 ( 18.840 15.863 2.806) 24.789 3.868 ( 18.946 23.745 -1.458) 30.412 5.701 ( 7.612 7.099 -6.050) 12.039 6.108 ( 44.441 42.616 1.930) 61.603 7.760 ( 9.065 9.550 0.954) 13.202 10.165 ( -9.792 -11.800 -3.700) 15.774 10.602 ( -3.544 0.088 -0.708) 3.616 12.732 ( 3.083 -2.955 -26.964) 27.300 14.199 ( -22.334 -21.914 25.524) 40.379 16.739 ( -6.017 -2.148 -17.235) 18.381 ======================= Grid point 373 (113/580) ======================= q-point: ( 0.33 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 9.098 11.087 2.506) 14.559 2.490 ( 8.914 9.543 9.621) 16.220 3.836 ( 16.142 11.978 -2.232) 20.224 4.434 ( 18.692 24.475 -0.853) 30.808 5.931 ( 11.288 9.670 -4.766) 15.609 7.183 ( 34.322 33.060 0.232) 47.655 8.053 ( 12.513 12.191 0.283) 17.472 9.912 ( -3.213 -10.789 -3.817) 11.887 10.550 ( -4.588 4.152 -0.385) 6.200 12.616 ( -2.197 -7.446 -20.680) 22.089 13.677 ( -22.630 -19.575 24.144) 38.448 16.524 ( -8.870 -6.013 -14.090) 17.702 ======================= Grid point 374 (114/580) ======================= q-point: ( 0.39 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 5.376 10.456 0.540) 11.769 2.717 ( 6.624 4.212 7.579) 10.912 4.196 ( 15.245 9.707 -5.648) 18.935 4.953 ( 14.386 22.907 -0.723) 27.060 6.216 ( 10.755 9.562 -2.205) 14.559 7.845 ( 12.894 18.793 -2.246) 22.902 8.423 ( 15.291 14.191 -0.565) 20.869 9.896 ( 12.927 -7.021 -2.360) 14.899 10.535 ( -5.244 10.778 0.113) 11.987 12.405 ( -5.750 -9.715 -15.637) 19.287 13.202 ( -19.212 -15.493 18.967) 31.127 16.245 ( -10.672 -9.140 -9.671) 17.057 ======================= Grid point 375 (115/580) ======================= q-point: ( 0.44 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 2.645 9.448 0.130) 9.812 2.848 ( 3.798 1.258 4.430) 5.969 4.517 ( 14.289 7.430 -6.668) 17.431 5.362 ( 8.326 20.786 -0.695) 22.402 6.414 ( 2.477 5.511 0.408) 6.056 8.092 ( 4.990 11.446 -4.311) 13.210 8.835 ( 16.163 14.415 -1.475) 21.707 10.069 ( 12.323 -10.028 -0.142) 15.888 10.597 ( -4.839 16.686 0.930) 17.399 12.183 ( -3.329 -8.566 -9.315) 13.086 12.853 ( -11.550 -9.322 10.486) 18.173 15.937 ( -10.828 -10.866 -5.218) 16.204 ======================= Grid point 376 (116/580) ======================= q-point: ( 0.50 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 0.864 5.879 0.989) 6.024 2.909 ( 1.198 2.256 0.274) 2.569 4.779 ( 11.397 4.282 -6.248) 13.684 5.646 ( 1.799 19.817 -0.579) 19.907 6.405 ( -6.099 0.471 2.426) 6.580 8.328 ( 10.983 11.830 -4.980) 16.894 9.229 ( 14.618 11.729 -2.305) 18.883 10.076 ( 1.451 -10.392 1.656) 10.622 10.584 ( -14.568 9.951 2.926) 17.884 12.115 ( 4.417 -4.787 -5.220) 8.347 12.706 ( -1.225 -2.315 3.584) 4.439 15.652 ( -8.383 -10.346 -1.438) 13.393 ======================= Grid point 377 (117/580) ======================= q-point: ( 0.56 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 0.366 -1.260 -1.412) 1.927 2.962 ( -2.289 7.154 -0.135) 7.512 4.942 ( 6.530 0.509 -4.910) 8.186 5.810 ( -5.971 20.370 -0.452) 21.232 6.299 ( -4.451 -1.903 3.723) 6.107 8.607 ( 8.559 8.133 -4.767) 12.733 9.517 ( 9.547 3.686 -2.076) 10.443 9.981 ( -2.013 -6.063 2.688) 6.931 10.387 ( -16.759 9.704 4.206) 19.817 12.138 ( 4.119 -4.219 -3.138) 6.680 12.736 ( 2.841 -0.847 -0.251) 2.976 15.475 ( -1.436 -6.515 1.543) 6.848 ======================= Grid point 378 (118/580) ======================= q-point: (-0.39 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( -1.139 -2.080 -3.321) 4.081 2.965 ( -4.715 5.699 -0.131) 7.398 4.976 ( 0.225 -3.366 -2.597) 4.257 5.818 ( -14.410 16.317 0.013) 21.769 6.293 ( 2.954 1.543 3.395) 4.758 8.653 ( -6.372 -1.537 -1.639) 6.756 9.566 ( -4.658 -4.945 1.172) 6.893 9.945 ( 3.423 -1.702 0.265) 3.832 10.361 ( -2.765 17.932 2.508) 18.316 12.159 ( 4.021 -4.331 -1.708) 6.152 12.701 ( -3.496 -4.555 -2.556) 6.285 15.510 ( 8.744 -0.635 3.912) 9.600 ======================= Grid point 379 (119/580) ======================= q-point: (-0.33 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -2.397 -2.702 -3.938) 5.344 2.911 ( -7.164 4.026 -0.168) 8.219 4.869 ( -6.410 -6.469 0.052) 9.107 5.660 ( -18.358 9.221 0.366) 20.547 6.399 ( 2.971 4.407 2.058) 5.700 8.436 ( -12.964 -3.700 2.581) 13.726 9.295 ( -17.620 -7.481 2.307) 19.281 10.043 ( 8.304 -4.053 -0.746) 9.270 10.548 ( -0.657 17.591 0.559) 17.612 12.164 ( 3.288 -5.607 -2.440) 6.942 12.592 ( -0.969 -1.969 -3.501) 4.132 15.758 ( 15.842 3.431 5.767) 17.204 ======================= Grid point 380 (120/580) ======================= q-point: (-0.28 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -4.142 -3.216 -3.398) 6.249 2.798 ( -9.536 1.911 -0.051) 9.726 4.638 ( -12.242 -8.298 1.941) 14.916 5.378 ( -22.386 3.814 0.425) 22.713 6.426 ( -4.241 0.126 1.259) 4.425 8.210 ( -12.800 -0.099 4.036) 13.422 8.887 ( -21.008 -8.098 2.106) 22.613 10.074 ( 3.966 -13.026 0.130) 13.617 10.586 ( -11.743 12.711 0.335) 17.308 12.250 ( 13.837 2.123 -8.506) 16.381 12.644 ( 6.776 1.357 -0.217) 6.914 16.114 ( 18.034 4.911 6.957) 19.944 ======================= Grid point 381 (121/580) ======================= q-point: (-0.22 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -7.835 -4.292 -1.856) 9.124 2.623 ( -11.724 -0.259 0.453) 11.736 4.305 ( -17.301 -9.099 2.339) 19.687 4.972 ( -26.940 -0.768 0.596) 26.958 6.266 ( -11.230 -4.611 1.225) 12.201 7.912 ( -25.549 -4.124 2.467) 25.997 8.455 ( -20.529 -7.505 1.648) 21.920 9.953 ( 1.679 -13.856 1.574) 14.046 10.525 ( -7.243 11.082 -0.503) 13.249 12.604 ( 22.240 8.973 -20.065) 31.268 12.822 ( 11.382 1.925 10.593) 15.667 16.485 ( 16.797 4.722 7.031) 18.812 ======================= Grid point 382 (122/580) ======================= q-point: (-0.17 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -14.706 -6.490 1.254) 16.123 2.406 ( -13.317 -1.562 0.910) 13.439 3.881 ( -22.318 -9.349 1.301) 24.232 4.458 ( -29.918 -4.207 0.880) 30.225 6.007 ( -12.500 -5.143 0.735) 13.537 7.188 ( -47.857 -14.471 0.564) 50.000 8.065 ( -17.494 -5.908 1.079) 18.496 9.988 ( 11.382 -2.991 1.468) 11.860 10.545 ( -1.328 7.054 -0.721) 7.214 12.898 ( 11.472 4.956 -19.482) 23.146 13.235 ( 25.816 7.372 11.292) 29.126 16.803 ( 13.086 3.338 5.491) 14.579 ======================= Grid point 383 (123/580) ======================= q-point: (-0.11 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -20.325 -8.664 4.729) 22.594 2.126 ( -18.283 -2.177 2.532) 18.585 3.365 ( -27.837 -8.973 0.154) 29.248 3.902 ( -29.034 -5.275 0.893) 29.523 5.768 ( -10.561 -3.307 -0.860) 11.100 6.084 ( -59.900 -17.477 0.202) 62.398 7.755 ( -13.354 -3.819 0.618) 13.903 10.224 ( 14.740 1.745 0.432) 14.849 10.602 ( 1.820 3.804 -0.659) 4.268 13.050 ( 7.869 3.383 -15.622) 17.816 13.816 ( 29.007 7.761 9.049) 31.361 17.015 ( 7.524 1.133 1.986) 7.864 ======================= Grid point 384 (124/580) ======================= q-point: (-0.06 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -24.599 -8.668 10.046) 27.950 1.744 ( -24.877 -2.834 4.632) 25.463 2.756 ( -34.521 -6.568 0.998) 35.154 3.403 ( -23.369 -3.691 0.078) 23.659 4.846 ( -63.613 -12.112 -0.592) 64.758 5.616 ( -6.019 -1.426 -0.642) 6.219 7.537 ( -9.229 -1.756 0.467) 9.406 10.481 ( 12.506 1.745 -0.466) 12.636 10.672 ( 3.314 1.536 -0.579) 3.698 13.134 ( 4.101 2.527 -22.185) 22.702 14.410 ( 28.725 5.300 12.738) 31.867 17.087 ( 1.220 -1.117 -3.363) 3.748 ======================= Grid point 388 (125/580) ======================= q-point: ( 0.17 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.000 24.820 12.678) 27.870 1.596 ( 0.000 20.789 29.749) 36.293 2.353 ( 0.000 36.731 11.824) 38.587 3.122 ( -0.000 18.001 -2.324) 18.151 4.038 ( -0.000 59.147 -0.498) 59.149 5.556 ( -0.000 0.738 -0.173) 0.758 7.447 ( 0.000 6.694 1.364) 6.832 10.608 ( -0.000 -9.276 -1.920) 9.473 10.702 ( -0.000 -4.174 -1.368) 4.392 12.387 ( -0.000 26.943 -63.706) 69.169 15.032 ( 0.000 -24.463 18.721) 30.804 16.967 ( -0.000 0.588 -11.716) 11.731 ======================= Grid point 389 (126/580) ======================= q-point: ( 0.22 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 2.273 20.125 14.457) 24.884 1.928 ( 5.157 19.861 19.489) 28.299 2.829 ( 11.670 28.947 7.259) 32.044 3.388 ( 8.075 23.425 -1.775) 24.841 4.844 ( 22.103 60.686 0.537) 64.588 5.585 ( 1.243 4.944 -3.086) 5.959 7.555 ( 3.104 8.913 1.519) 9.560 10.453 ( -5.309 -11.701 -2.630) 13.115 10.655 ( 0.008 -3.748 -1.344) 3.982 12.496 ( 7.536 9.417 -43.904) 45.530 14.754 ( -8.670 -27.642 21.948) 36.345 16.909 ( -3.596 1.792 -15.553) 16.064 ======================= Grid point 390 (127/580) ======================= q-point: ( 0.28 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 6.548 16.457 10.865) 20.779 2.248 ( 5.622 15.964 13.583) 21.701 3.313 ( 13.413 21.515 2.793) 25.507 3.839 ( 14.681 28.082 -0.957) 31.702 5.650 ( 6.374 11.082 -6.247) 14.229 5.938 ( 30.461 52.416 2.146) 60.662 7.739 ( 6.139 11.633 1.589) 13.249 10.189 ( -9.208 -13.926 -3.543) 17.066 10.628 ( 0.098 -0.953 -1.189) 1.527 12.538 ( 5.709 -2.531 -30.267) 30.905 14.344 ( -14.595 -27.263 23.484) 38.831 16.784 ( -6.415 -0.630 -16.244) 17.476 ======================= Grid point 391 (128/580) ======================= q-point: ( 0.33 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 7.826 14.002 6.630) 17.357 2.509 ( 5.039 11.117 10.591) 16.160 3.717 ( 12.378 15.610 -1.907) 20.014 4.404 ( 16.989 30.035 -0.612) 34.513 5.855 ( 8.348 12.102 -4.867) 15.487 6.998 ( 32.157 45.477 0.936) 55.706 8.004 ( 9.197 14.545 1.429) 17.268 9.873 ( -8.556 -14.991 -4.051) 17.730 10.637 ( -0.298 4.197 -1.137) 4.358 12.468 ( 2.038 -9.215 -22.593) 24.485 13.874 ( -17.681 -24.783 22.638) 37.938 16.580 ( -9.036 -5.007 -14.097) 17.476 ======================= Grid point 392 (129/580) ======================= q-point: ( 0.39 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 6.378 11.819 4.301) 14.102 2.700 ( 3.790 7.340 7.550) 11.191 4.046 ( 12.163 11.469 -5.473) 17.591 4.971 ( 14.529 29.187 -1.025) 32.619 6.142 ( 10.523 14.035 -1.797) 17.633 7.839 ( 17.790 32.863 -0.722) 37.377 8.345 ( 12.051 16.822 0.958) 20.715 9.647 ( 2.444 -13.391 -3.506) 14.057 10.700 ( -0.758 11.284 -1.014) 11.355 12.306 ( -1.298 -12.423 -17.498) 21.499 13.400 ( -17.874 -20.976 19.191) 33.582 16.302 ( -10.644 -9.488 -10.461) 17.685 ======================= Grid point 393 (130/580) ======================= q-point: ( 0.44 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 3.492 1.072 6.180) 7.179 2.874 ( 2.247 14.073 0.976) 14.285 4.337 ( 12.836 8.050 -6.769) 16.594 5.450 ( 9.645 26.424 -1.360) 28.162 6.436 ( 6.202 13.782 1.191) 15.160 8.204 ( -1.313 19.060 -2.994) 19.338 8.741 ( 13.427 17.641 0.367) 22.173 9.710 ( 16.645 -9.768 -1.838) 19.387 10.829 ( -1.323 18.059 -0.334) 18.110 12.096 ( -2.557 -13.025 -12.189) 18.021 12.988 ( -13.872 -15.318 12.999) 24.414 15.981 ( -10.616 -12.932 -6.414) 17.919 ======================= Grid point 394 (131/580) ======================= q-point: ( 0.50 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 2.215 -0.957 2.723) 3.638 3.025 ( -0.860 13.671 0.243) 13.700 4.597 ( 12.271 4.336 -6.550) 14.570 5.814 ( 5.032 22.997 -0.900) 23.558 6.578 ( -5.924 12.110 2.731) 13.755 8.333 ( 1.601 15.110 -3.750) 15.650 9.128 ( 12.203 15.178 -0.569) 19.484 9.870 ( 11.328 -9.657 -0.416) 14.891 10.941 ( -9.290 17.434 1.587) 19.819 11.943 ( 3.459 -11.087 -7.208) 13.669 12.733 ( -5.425 -7.398 5.806) 10.857 15.665 ( -8.495 -14.308 -2.685) 16.855 ======================= Grid point 395 (132/580) ======================= q-point: ( 0.56 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 1.126 -1.937 -0.497) 2.294 3.116 ( -3.792 12.730 0.059) 13.283 4.791 ( 9.511 0.445 -5.706) 11.100 6.081 ( 2.390 18.955 0.362) 19.108 6.510 ( -16.090 13.104 2.847) 20.945 8.553 ( 7.281 13.008 -4.020) 15.439 9.420 ( 7.766 8.019 -1.145) 11.222 9.907 ( 4.036 -7.408 1.476) 8.564 10.842 ( -19.242 14.954 3.545) 24.626 11.945 ( 8.841 -9.851 -4.548) 13.996 12.681 ( 1.854 -1.632 0.863) 2.616 15.422 ( -3.107 -12.405 0.405) 12.794 ======================= Grid point 396 (133/580) ======================= q-point: (-0.39 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( -0.184 -2.521 -2.778) 3.756 3.147 ( -6.438 11.287 0.028) 12.994 4.888 ( 4.875 -3.178 -4.248) 7.205 6.269 ( 3.069 2.301 3.580) 5.247 6.360 ( -21.483 28.432 0.259) 35.636 8.713 ( -0.287 4.922 -3.788) 6.217 9.546 ( 2.887 1.448 1.064) 3.401 9.896 ( 0.771 -5.058 1.406) 5.306 10.718 ( -14.250 20.764 3.356) 25.406 11.981 ( 7.985 -10.221 -2.983) 13.309 12.685 ( -0.353 -3.484 -1.807) 3.940 15.351 ( 6.274 -7.145 2.824) 9.919 ======================= Grid point 397 (134/580) ======================= q-point: (-0.33 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -1.417 -2.762 -3.644) 4.787 3.117 ( -8.982 9.301 -0.049) 12.930 4.867 ( -0.937 -5.986 -2.171) 6.436 6.121 ( -17.909 7.365 2.176) 19.486 6.469 ( -3.533 19.474 1.063) 19.820 8.619 ( -10.106 -0.188 -0.657) 10.129 9.500 ( -10.833 -2.942 2.603) 11.523 9.883 ( 4.940 -4.945 0.132) 6.991 10.800 ( -4.904 24.045 1.580) 24.591 11.994 ( 6.464 -11.015 -2.340) 12.984 12.588 ( -3.276 -4.869 -3.236) 6.701 15.510 ( 15.467 -1.852 4.462) 16.204 ======================= Grid point 398 (135/580) ======================= q-point: (-0.28 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -2.591 -2.732 -3.161) 4.916 3.022 ( -11.419 6.716 -0.070) 13.248 4.729 ( -6.969 -7.346 -0.169) 10.127 5.855 ( -22.978 7.980 0.918) 24.342 6.541 ( -6.166 9.127 1.133) 11.073 8.449 ( -11.119 4.548 2.034) 12.184 9.183 ( -20.106 -5.240 2.061) 20.880 9.891 ( 3.214 -11.696 0.437) 12.138 10.924 ( -9.384 19.004 0.867) 21.213 12.007 ( 9.966 -6.426 -5.907) 13.248 12.544 ( 4.029 -2.071 -1.401) 4.742 15.833 ( 20.107 0.930 5.159) 20.779 ======================= Grid point 399 (136/580) ======================= q-point: (-0.22 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -4.640 -2.692 -1.632) 5.607 2.860 ( -13.570 3.736 0.162) 14.076 4.489 ( -12.711 -7.195 0.865) 14.632 5.486 ( -28.435 5.538 0.379) 28.971 6.431 ( -11.555 -0.178 1.007) 11.601 8.306 ( -17.304 7.721 2.077) 19.061 8.767 ( -22.368 -5.150 1.635) 23.011 9.765 ( 1.428 -17.613 0.744) 17.687 10.841 ( -15.431 11.786 0.472) 19.423 12.247 ( 21.236 4.069 -12.943) 25.200 12.663 ( 10.355 -0.990 5.038) 11.558 16.214 ( 20.522 1.689 4.676) 21.115 ======================= Grid point 400 (137/580) ======================= q-point: (-0.17 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -9.457 -2.917 0.810) 9.930 2.640 ( -14.606 1.169 0.668) 14.668 4.160 ( -18.348 -6.013 0.665) 19.319 4.995 ( -32.960 1.774 0.350) 33.010 6.190 ( -13.706 -3.231 0.464) 14.089 7.869 ( -39.789 -1.324 0.795) 39.819 8.350 ( -21.039 -4.065 1.216) 21.463 9.731 ( 11.516 -8.664 0.525) 14.421 10.712 ( -9.906 7.368 -0.240) 12.349 12.631 ( 19.503 7.138 -23.234) 31.163 12.923 ( 18.998 -0.387 17.089) 25.556 16.571 ( 17.900 1.098 2.689) 18.134 ======================= Grid point 401 (138/580) ======================= q-point: (-0.11 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -17.379 -3.115 3.559) 18.011 2.401 ( -14.753 -0.220 1.770) 14.861 3.750 ( -23.960 -3.914 0.132) 24.278 4.420 ( -34.089 -0.803 0.325) 34.100 5.934 ( -12.542 -2.067 -0.822) 12.737 6.985 ( -56.866 -5.568 0.296) 57.138 7.991 ( -17.457 -2.172 0.783) 17.609 9.948 ( 17.267 -1.302 -0.458) 17.322 10.649 ( -3.617 3.158 -0.468) 4.824 12.877 ( 11.200 4.721 -19.918) 23.334 13.401 ( 28.440 1.333 16.181) 32.749 16.845 ( 13.000 -0.394 -1.056) 13.049 ======================= Grid point 402 (139/580) ======================= q-point: (-0.06 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -22.326 -1.419 6.721) 23.358 2.116 ( -19.290 -0.924 3.142) 19.566 3.277 ( -28.951 0.227 1.151) 28.974 3.851 ( -30.822 -0.523 -0.361) 30.828 5.729 ( -10.258 0.302 -2.520) 10.568 5.908 ( -63.490 -0.126 1.148) 63.500 7.719 ( -13.161 -0.196 0.600) 13.176 10.234 ( 16.424 -0.393 -1.407) 16.489 10.642 ( 0.841 0.221 -0.445) 0.977 13.012 ( 6.580 3.454 -20.146) 21.472 13.963 ( 30.564 -0.687 17.007) 34.984 16.991 ( 6.705 -2.016 -6.533) 9.576 ======================= Grid point 407 (140/580) ======================= q-point: ( 0.22 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 0.000 17.285 7.511) 18.847 2.129 ( 0.000 17.025 23.765) 29.234 3.054 ( -0.000 30.330 4.958) 30.733 3.555 ( -0.000 26.168 -1.148) 26.193 5.284 ( -0.000 61.678 0.007) 61.678 5.635 ( -0.000 11.287 -3.446) 11.802 7.630 ( -0.000 11.163 1.521) 11.266 10.377 ( -0.000 -12.209 -2.659) 12.495 10.599 ( -0.000 -5.160 -1.546) 5.387 12.393 ( -0.000 5.138 -37.631) 37.980 14.600 ( 0.000 -30.183 21.227) 36.900 16.913 ( -0.000 1.075 -15.179) 15.217 ======================= Grid point 408 (141/580) ======================= q-point: ( 0.28 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 2.965 14.781 6.670) 16.485 2.370 ( 2.544 13.456 18.494) 23.012 3.397 ( 5.284 25.870 1.671) 26.457 3.907 ( 9.565 28.716 -0.569) 30.273 5.677 ( 2.611 13.164 -5.748) 14.600 6.110 ( 14.800 59.031 1.588) 60.878 7.787 ( 3.427 13.724 1.603) 14.236 10.185 ( -6.833 -12.957 -3.167) 14.987 10.573 ( 2.855 -3.528 -1.402) 4.750 12.342 ( 3.376 -3.043 -29.255) 29.606 14.303 ( -6.575 -30.158 20.917) 37.287 16.832 ( -4.626 -1.078 -14.517) 15.274 ======================= Grid point 409 (142/580) ======================= q-point: ( 0.33 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 5.970 13.562 5.738) 15.890 2.575 ( 3.028 8.975 13.639) 16.606 3.725 ( 6.384 19.872 -2.476) 21.019 4.421 ( 15.776 30.138 -0.430) 34.020 5.858 ( 5.226 14.747 -4.561) 16.297 7.004 ( 23.231 51.392 1.032) 56.408 8.028 ( 6.664 16.576 1.812) 17.957 9.887 ( -10.879 -13.521 -3.779) 17.762 10.624 ( 4.761 1.563 -1.369) 5.195 12.260 ( 2.931 -9.767 -22.496) 24.699 13.919 ( -11.089 -28.186 19.762) 36.166 16.648 ( -8.754 -4.809 -12.766) 16.209 ======================= Grid point 410 (143/580) ======================= q-point: ( 0.39 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 5.150 9.450 7.457) 13.093 2.741 ( 4.395 8.554 6.935) 11.857 3.992 ( 6.788 14.433 -5.899) 17.006 4.997 ( 16.332 29.449 -1.210) 33.696 6.129 ( 8.752 17.438 -1.096) 19.541 7.859 ( 22.060 39.842 0.028) 45.541 8.345 ( 9.091 18.809 1.813) 20.970 9.558 ( -9.274 -13.403 -3.936) 16.767 10.759 ( 5.409 9.131 -1.643) 10.739 12.121 ( 1.280 -13.576 -17.360) 22.075 13.496 ( -13.547 -24.959 17.238) 33.221 16.370 ( -11.561 -9.257 -10.167) 17.964 ======================= Grid point 411 (144/580) ======================= q-point: ( 0.44 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 2.169 0.812 7.424) 7.777 2.966 ( 4.987 14.447 2.192) 15.440 4.218 ( 8.312 9.617 -7.170) 14.594 5.516 ( 12.408 25.627 -2.006) 28.543 6.479 ( 9.352 20.054 2.538) 22.272 8.444 ( 3.266 28.533 -1.710) 28.770 8.713 ( 11.739 19.079 1.511) 22.452 9.368 ( 6.306 -12.186 -2.982) 14.042 10.973 ( 4.733 16.776 -1.866) 17.530 11.946 ( -0.152 -14.482 -12.639) 19.222 13.083 ( -13.037 -20.431 13.272) 27.632 16.025 ( -12.317 -13.380 -7.174) 19.550 ======================= Grid point 412 (145/580) ======================= q-point: ( 0.50 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 1.643 -1.485 3.830) 4.424 3.176 ( 1.352 15.522 1.222) 15.629 4.427 ( 9.970 4.818 -6.739) 12.962 5.902 ( 7.749 18.551 -1.165) 20.138 6.814 ( 2.125 23.656 3.676) 24.034 8.563 ( -9.445 19.055 -2.949) 21.471 9.100 ( 10.635 17.615 1.050) 20.603 9.509 ( 18.468 -9.274 -1.769) 20.742 11.207 ( 0.685 19.478 -1.302) 19.533 11.770 ( -0.448 -13.329 -7.602) 15.351 12.761 ( -7.350 -13.532 7.903) 17.309 15.662 ( -10.521 -16.120 -4.155) 19.693 ======================= Grid point 413 (146/580) ======================= q-point: ( 0.56 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 1.226 -2.394 0.562) 2.748 3.320 ( -2.821 15.628 0.683) 15.896 4.607 ( 10.024 0.279 -5.806) 11.587 6.142 ( 4.377 9.296 1.150) 10.339 7.007 ( -11.306 29.784 2.179) 31.932 8.629 ( -1.391 16.107 -2.609) 16.377 9.400 ( 6.210 12.048 -0.013) 13.554 9.691 ( 12.673 -8.113 -0.285) 15.050 11.303 ( -12.188 17.794 1.357) 21.611 11.659 ( 6.425 -13.719 -4.541) 15.815 12.636 ( 0.936 -4.802 2.360) 5.432 15.350 ( -5.613 -16.167 -1.332) 17.166 ======================= Grid point 414 (147/580) ======================= q-point: ( 0.61 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 0.478 -2.678 -1.817) 3.272 3.391 ( -6.529 14.643 0.437) 16.039 4.731 ( 7.861 -3.390 -4.760) 9.795 6.250 ( 1.947 0.975 3.360) 4.004 7.057 ( -20.411 36.243 0.299) 41.596 8.765 ( 0.657 9.884 -3.055) 10.367 9.545 ( 1.662 6.081 0.808) 6.356 9.788 ( 6.321 -6.241 1.049) 8.945 11.214 ( -17.266 19.600 2.763) 26.266 11.672 ( 11.411 -14.855 -3.002) 18.971 12.644 ( 1.417 -2.313 -1.247) 2.986 15.178 ( 3.030 -12.451 1.132) 12.864 ======================= Grid point 415 (148/580) ======================= q-point: (-0.33 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -0.544 -2.542 -2.850) 3.857 3.388 ( -9.673 12.501 0.235) 15.808 4.775 ( 3.835 -5.743 -3.405) 7.700 6.257 ( -1.474 -2.385 3.732) 4.668 7.041 ( -22.917 35.348 -0.269) 42.128 8.772 ( -6.309 3.894 -2.489) 7.821 9.619 ( -1.900 4.353 3.151) 5.700 9.770 ( 1.192 -8.491 0.216) 8.577 11.184 ( -10.566 22.272 1.573) 24.702 11.716 ( 10.307 -13.203 -1.337) 16.803 12.582 ( -3.147 -5.631 -3.210) 7.205 15.230 ( 13.234 -6.668 2.803) 15.082 ======================= Grid point 416 (149/580) ======================= q-point: (-0.28 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -1.553 -2.055 -2.475) 3.572 3.308 ( -12.389 9.260 0.057) 15.467 4.729 ( -1.318 -6.384 -1.912) 6.793 6.169 ( -8.319 -0.824 2.257) 8.659 6.951 ( -22.472 23.614 0.355) 32.599 8.682 ( -8.513 8.071 -0.452) 11.740 9.463 ( -15.920 -2.782 2.020) 16.287 9.733 ( 2.390 -11.001 0.890) 11.293 11.282 ( -6.651 22.744 0.738) 23.708 11.745 ( 8.265 -10.756 -2.261) 13.752 12.463 ( -0.229 -6.429 -2.825) 7.026 15.489 ( 20.226 -2.511 3.232) 20.636 ======================= Grid point 417 (150/580) ======================= q-point: (-0.22 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -2.769 -1.416 -1.039) 3.279 3.149 ( -14.572 5.389 0.114) 15.537 4.595 ( -6.950 -5.315 -0.982) 8.805 5.954 ( -18.599 2.124 0.521) 18.727 6.732 ( -21.011 7.782 1.185) 22.437 8.657 ( -9.829 15.566 0.454) 18.415 9.109 ( -21.352 -3.395 1.331) 21.661 9.581 ( -1.473 -19.440 0.616) 19.506 11.260 ( -18.445 12.891 1.353) 22.544 11.888 ( 19.039 -0.902 -7.766) 20.582 12.486 ( 8.631 -3.544 1.806) 9.503 15.855 ( 22.718 -0.773 2.367) 22.854 ======================= Grid point 418 (151/580) ======================= q-point: (-0.17 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -5.088 -0.762 1.042) 5.249 2.923 ( -15.945 1.879 0.504) 16.063 4.382 ( -12.801 -3.205 -1.052) 13.238 5.565 ( -29.335 2.022 -0.251) 29.405 6.433 ( -17.502 -0.281 1.024) 17.534 8.494 ( -28.404 8.115 0.142) 29.541 8.699 ( -22.812 -2.707 1.084) 22.997 9.451 ( 8.880 -11.540 -0.313) 14.565 11.014 ( -17.946 4.683 0.023) 18.547 12.264 ( 23.400 5.344 -13.591) 27.583 12.670 ( 13.965 -2.379 10.284) 17.506 16.236 ( 21.646 -0.725 0.191) 21.659 ======================= Grid point 419 (152/580) ======================= q-point: (-0.11 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -10.349 0.026 3.307) 10.865 2.659 ( -15.593 -0.187 1.139) 15.636 4.091 ( -18.520 -0.547 -1.547) 18.593 5.015 ( -34.810 -0.213 -0.216) 34.811 6.154 ( -14.805 -0.319 -0.493) 14.816 7.859 ( -46.746 -0.267 0.009) 46.746 8.309 ( -20.919 -0.509 0.648) 20.935 9.635 ( 16.708 -0.456 -1.403) 16.773 10.787 ( -10.786 0.039 -0.429) 10.795 12.633 ( 17.230 6.063 -20.821) 27.697 12.996 ( 22.887 -3.230 20.466) 30.872 16.561 ( 17.888 -1.757 -3.350) 18.283 ======================= Grid point 420 (153/580) ======================= q-point: (-0.06 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -17.690 1.867 4.761) 18.415 2.406 ( -14.801 -0.534 2.436) 15.009 3.740 ( -23.065 3.198 -0.903) 23.303 4.413 ( -34.298 0.171 -0.476) 34.301 5.920 ( -12.672 1.620 -2.398) 12.998 6.986 ( -56.464 5.370 0.397) 56.721 7.987 ( -17.295 1.456 0.399) 17.361 9.931 ( 17.296 0.467 -2.348) 17.461 10.650 ( -3.533 -2.766 -0.346) 4.501 12.852 ( 10.128 4.048 -19.540) 22.378 13.475 ( 29.134 -4.762 21.352) 36.433 16.781 ( 12.318 -3.109 -8.169) 15.104 ======================= Grid point 426 (154/580) ======================= q-point: ( 0.28 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 0.000 11.908 3.516) 12.416 2.524 ( 0.000 10.319 18.169) 20.895 3.617 ( -0.000 25.356 -0.402) 25.359 4.099 ( -0.000 28.364 -0.357) 28.366 5.776 ( -0.000 14.451 -5.578) 15.490 6.578 ( -0.000 58.238 1.336) 58.253 7.906 ( -0.000 15.873 1.252) 15.923 10.132 ( -0.000 -9.544 -2.859) 9.963 10.487 ( -0.000 -5.233 -1.304) 5.393 12.193 ( -0.000 -6.141 -25.027) 25.770 14.112 ( 0.000 -30.636 18.706) 35.896 16.815 ( -0.000 -3.037 -12.784) 13.140 ======================= Grid point 427 (155/580) ======================= q-point: ( 0.33 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 4.673 10.753 2.612) 12.012 2.661 ( 0.734 6.148 14.910) 16.144 3.861 ( 1.472 21.518 -3.541) 21.858 4.471 ( 10.793 27.805 -0.359) 29.829 5.934 ( 2.612 16.487 -4.401) 17.263 7.215 ( 10.983 48.934 0.774) 50.157 8.112 ( 4.032 18.217 1.169) 18.695 9.956 ( -9.896 -6.733 -3.020) 12.345 10.509 ( 7.350 -1.856 -1.060) 7.655 12.062 ( 1.348 -10.009 -19.961) 22.371 13.822 ( -4.950 -29.350 16.548) 34.055 16.689 ( -5.626 -6.011 -10.926) 13.681 ======================= Grid point 428 (156/580) ======================= q-point: ( 0.39 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 7.177 10.139 3.148) 12.815 2.759 ( 2.042 2.844 10.607) 11.170 4.061 ( 1.592 16.747 -6.420) 18.006 4.985 ( 16.814 26.870 -1.042) 31.714 6.172 ( 6.537 17.943 -1.238) 19.136 7.880 ( 17.651 34.316 -0.330) 38.591 8.406 ( 7.318 20.467 1.457) 21.784 9.674 ( -14.962 -3.908 -3.240) 15.800 10.686 ( 11.043 5.925 -1.257) 12.595 11.919 ( 0.977 -12.722 -15.246) 19.881 13.472 ( -8.392 -26.805 14.061) 31.411 16.443 ( -10.574 -9.563 -8.946) 16.832 ======================= Grid point 429 (157/580) ======================= q-point: ( 0.44 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 0.700 -0.229 7.746) 7.781 2.976 ( 9.583 11.221 2.304) 14.935 4.214 ( 2.308 11.915 -7.532) 14.283 5.519 ( 15.252 24.090 -2.003) 28.583 6.510 ( 11.152 19.567 2.629) 22.675 8.467 ( 20.270 18.737 -1.526) 27.645 8.754 ( 7.868 21.230 1.492) 22.690 9.379 ( -15.333 0.305 -3.029) 15.632 10.981 ( 11.570 14.294 -2.087) 18.508 11.761 ( 0.594 -13.739 -10.768) 17.466 13.101 ( -10.038 -23.110 11.261) 27.598 16.098 ( -13.622 -13.082 -6.958) 20.128 ======================= Grid point 430 (158/580) ======================= q-point: ( 0.50 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 0.699 -2.194 4.485) 5.041 3.254 ( 7.540 13.170 1.820) 15.285 4.338 ( 4.111 6.627 -6.948) 10.445 5.930 ( 8.954 17.324 -1.355) 19.548 6.942 ( 12.399 23.622 4.208) 27.008 8.903 ( 7.566 14.568 -2.492) 16.604 9.033 ( 5.003 9.649 -0.311) 10.874 9.236 ( 1.162 7.410 -0.698) 7.533 11.292 ( 6.153 13.919 -5.081) 16.044 11.639 ( 2.726 -8.082 -4.299) 9.551 12.761 ( -8.300 -18.057 8.232) 21.511 15.698 ( -13.819 -15.850 -5.004) 21.616 ======================= Grid point 431 (159/580) ======================= q-point: ( 0.56 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 0.833 -2.796 1.489) 3.276 3.488 ( 2.621 15.007 1.439) 15.302 4.447 ( 6.429 0.884 -5.768) 8.683 6.160 ( 3.642 8.478 0.753) 9.257 7.378 ( 5.185 29.754 2.996) 30.351 8.914 ( -12.415 17.408 -2.214) 21.496 9.312 ( 20.359 -5.869 -0.705) 21.200 9.446 ( 5.191 13.131 0.025) 14.120 11.334 ( 2.880 -10.545 -7.197) 13.088 11.716 ( -3.276 15.369 2.129) 15.858 12.557 ( 0.193 -10.531 4.278) 11.368 15.311 ( -10.321 -16.948 -3.005) 20.069 ======================= Grid point 432 (160/580) ======================= q-point: ( 0.61 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 0.719 -2.675 -0.724) 2.863 3.637 ( -3.484 15.664 1.132) 16.086 4.540 ( 7.970 -3.924 -4.683) 10.043 6.247 ( 0.802 1.640 2.417) 3.029 7.686 ( -8.375 35.587 1.129) 36.577 8.899 ( -5.718 11.202 -1.960) 12.729 9.553 ( 14.080 -5.910 0.564) 15.281 9.612 ( 0.745 10.711 0.171) 10.738 11.259 ( 8.225 -18.687 -5.391) 21.117 11.733 ( -13.358 18.070 4.556) 22.929 12.566 ( 4.981 -3.100 -0.267) 5.872 15.029 ( -2.322 -15.066 -0.879) 15.269 ======================= Grid point 433 (161/580) ======================= q-point: (-0.33 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 0.177 -2.117 -1.798) 2.783 3.681 ( -8.752 13.752 0.804) 16.320 4.610 ( 7.233 -6.079 -3.645) 10.127 6.256 ( -0.262 -1.541 2.942) 3.332 7.785 ( -21.111 34.776 0.161) 40.682 8.900 ( -3.716 5.986 -2.100) 7.352 9.628 ( 3.742 -8.114 -0.251) 8.939 9.730 ( -0.659 9.222 2.956) 9.706 11.221 ( 11.334 -18.925 -4.950) 22.608 11.726 ( -10.036 19.887 5.801) 23.019 12.563 ( -1.561 -4.898 -3.156) 6.032 14.959 ( 8.850 -9.868 0.911) 13.287 ======================= Grid point 434 (162/580) ======================= q-point: (-0.28 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -0.622 -1.258 -1.595) 2.125 3.615 ( -12.390 9.378 0.443) 15.545 4.641 ( 3.907 -5.315 -2.612) 7.095 6.230 ( -1.747 -2.025 2.344) 3.556 7.646 ( -28.584 23.103 0.290) 36.755 8.895 ( -5.294 11.342 -1.588) 12.617 9.550 ( -0.138 -13.946 -0.103) 13.947 9.725 ( -9.009 3.387 2.879) 10.046 11.283 ( 14.853 -9.429 -4.363) 18.126 11.794 ( -8.590 19.179 5.619) 21.753 12.409 ( -4.439 -10.174 -4.029) 11.809 15.129 ( 17.973 -4.601 1.374) 18.604 ======================= Grid point 435 (163/580) ======================= q-point: (-0.22 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -1.530 -0.281 -0.350) 1.594 3.450 ( -14.650 4.178 0.303) 15.237 4.619 ( -1.158 -2.801 -2.044) 3.656 6.156 ( -6.258 -1.062 1.025) 6.429 7.285 ( -30.997 8.551 0.987) 32.170 8.954 ( -5.160 19.112 -0.978) 19.820 9.342 ( -7.719 -14.497 -0.170) 16.425 9.515 ( -13.215 -6.801 1.540) 14.942 11.520 ( 19.102 -0.016 -4.099) 19.537 11.725 ( -19.483 9.047 1.949) 21.569 12.315 ( 6.077 -5.658 0.086) 8.303 15.454 ( 22.553 -1.866 0.405) 22.633 ======================= Grid point 436 (164/580) ======================= q-point: (-0.17 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -2.785 0.654 1.489) 3.225 3.209 ( -15.821 -0.010 0.488) 15.828 4.530 ( -7.071 0.045 -2.343) 7.449 5.968 ( -16.374 -0.319 -0.473) 16.384 6.817 ( -26.869 -0.358 1.633) 26.921 8.968 ( -18.238 -0.058 -0.739) 18.253 9.031 ( -15.321 -0.205 0.136) 15.323 9.268 ( -1.134 -1.053 -0.543) 1.640 11.386 ( -22.126 -0.921 -0.594) 22.153 11.883 ( 22.338 3.365 -5.466) 23.242 12.460 ( 11.221 -0.274 5.544) 12.519 15.835 ( 23.326 -1.319 -1.642) 23.421 ======================= Grid point 437 (165/580) ======================= q-point: (-0.11 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -5.101 1.601 3.459) 6.367 2.925 ( -15.967 -2.073 0.781) 16.120 4.362 ( -13.045 2.582 -3.178) 13.672 5.559 ( -29.199 -2.258 -0.968) 29.302 6.431 ( -17.889 -0.475 0.779) 17.912 8.483 ( -28.245 -9.292 -1.048) 29.752 8.690 ( -22.713 1.636 0.075) 22.772 9.437 ( 8.736 11.022 -1.793) 14.178 11.007 ( -17.493 -4.991 -0.764) 18.207 12.288 ( 22.452 3.867 -10.779) 25.204 12.699 ( 14.847 -1.671 13.343) 20.032 16.193 ( 21.114 -2.156 -4.594) 21.715 ======================= Grid point 438 (166/580) ======================= q-point: (-0.06 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -10.106 3.010 4.953) 11.650 2.644 ( -14.344 -1.715 1.137) 14.490 4.124 ( -17.868 5.200 -3.417) 18.920 4.986 ( -33.003 -2.004 -0.715) 33.072 6.172 ( -14.443 2.710 -1.508) 14.773 7.854 ( -38.916 0.164 -0.919) 38.927 8.337 ( -20.778 3.144 -0.148) 21.015 9.703 ( 11.144 8.331 -2.643) 14.163 10.712 ( -9.544 -7.001 -0.348) 11.841 12.616 ( 15.859 3.193 -17.894) 24.122 13.033 ( 22.669 -5.673 22.500) 32.439 16.472 ( 16.732 -3.614 -8.324) 19.035 ======================= Grid point 445 (167/580) ======================= q-point: ( 0.33 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -0.000 8.785 1.151) 8.860 2.744 ( 0.000 2.973 12.964) 13.301 4.046 ( -0.000 19.822 -5.336) 20.528 4.632 ( -0.000 25.128 -0.289) 25.130 6.064 ( -0.000 16.841 -3.874) 17.280 7.565 ( -0.000 38.744 -0.029) 38.744 8.263 ( -0.000 19.568 0.264) 19.569 10.044 ( -0.000 4.273 -2.336) 4.870 10.383 ( 0.000 -4.668 -0.426) 4.688 11.901 ( -0.000 -10.114 -15.921) 18.862 13.618 ( 0.000 -28.726 13.514) 31.746 16.641 ( -0.000 -8.175 -9.067) 12.208 ======================= Grid point 446 (168/580) ======================= q-point: ( 0.39 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 6.098 8.045 0.727) 10.121 2.791 ( -0.029 -0.025 10.259) 10.259 4.203 ( -0.577 16.445 -7.107) 17.924 4.974 ( 11.958 23.095 -0.586) 26.013 6.247 ( 3.661 15.834 -1.872) 16.359 7.945 ( 7.981 23.823 -1.540) 25.171 8.505 ( 4.895 20.808 0.005) 21.376 9.946 ( -15.084 7.115 -1.783) 16.773 10.511 ( 13.916 3.498 -0.230) 14.351 11.763 ( -0.311 -9.466 -11.647) 15.012 13.345 ( -3.727 -26.696 10.708) 29.004 16.469 ( -6.396 -10.714 -7.381) 14.498 ======================= Grid point 447 (169/580) ======================= q-point: ( 0.44 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -0.082 -1.624 6.890) 7.079 2.892 ( 10.864 7.616 1.389) 13.340 4.310 ( -1.129 12.666 -7.575) 14.801 5.459 ( 17.585 21.952 -1.299) 28.157 6.499 ( 9.386 13.600 1.189) 16.567 8.287 ( 13.620 9.514 -2.970) 16.877 8.828 ( 7.988 20.972 0.379) 22.445 9.734 ( -17.735 9.373 -1.745) 20.135 10.857 ( 16.858 11.611 -0.455) 20.474 11.629 ( -1.975 -8.400 -7.891) 11.693 13.039 ( -6.205 -23.171 8.248) 25.366 16.174 ( -11.894 -13.073 -5.961) 18.652 ======================= Grid point 448 (170/580) ======================= q-point: ( 0.50 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -0.060 -2.985 4.416) 5.331 3.185 ( 12.960 8.685 1.302) 15.656 4.374 ( -1.157 8.598 -6.584) 10.891 5.928 ( 12.097 18.526 -1.346) 22.167 6.869 ( 18.295 13.474 3.187) 22.944 8.590 ( 17.593 0.122 -3.002) 17.848 9.165 ( 7.100 19.219 0.587) 20.497 9.536 ( -16.706 12.517 -2.025) 20.973 11.276 ( 13.784 15.850 -3.022) 21.222 11.489 ( -0.165 -8.977 -2.998) 9.466 12.738 ( -7.221 -17.940 6.376) 20.362 15.785 ( -15.165 -14.710 -4.775) 21.660 ======================= Grid point 449 (171/580) ======================= q-point: ( 0.56 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 0.279 -3.092 2.022) 3.705 3.496 ( 11.655 10.212 1.420) 15.560 4.402 ( -0.637 3.637 -5.147) 6.334 6.195 ( 3.262 10.127 0.134) 10.641 7.398 ( 22.192 19.152 2.691) 29.436 8.884 ( 19.686 -3.869 -1.635) 20.129 9.323 ( -12.709 15.010 -0.522) 19.674 9.511 ( 2.849 14.396 -1.381) 14.740 11.252 ( -7.253 -7.469 -5.259) 11.664 11.764 ( 16.228 13.101 0.673) 20.867 12.494 ( -5.410 -11.882 5.107) 14.019 15.361 ( -15.055 -15.128 -3.636) 21.650 ======================= Grid point 450 (172/580) ======================= q-point: ( 0.61 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 0.594 -2.523 0.233) 2.602 3.774 ( 6.365 12.780 1.627) 14.369 4.398 ( 1.482 -2.615 -4.158) 5.131 6.274 ( -0.754 2.948 1.268) 3.296 7.956 ( 14.555 25.996 1.746) 29.844 9.087 ( 2.200 -3.219 -2.545) 4.656 9.299 ( 2.949 8.979 1.820) 9.624 9.705 ( 3.280 13.100 -1.357) 13.572 11.017 ( -4.537 -15.838 -3.725) 16.891 12.065 ( -1.492 15.648 1.710) 15.812 12.404 ( 6.679 -6.615 2.208) 9.656 14.985 ( -10.166 -13.724 -2.246) 17.226 ======================= Grid point 451 (173/580) ======================= q-point: ( 0.67 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 0.595 -1.565 -0.719) 1.823 3.941 ( -4.077 14.013 1.720) 14.695 4.402 ( 7.056 -7.520 -3.508) 10.892 6.265 ( -1.456 -0.529 1.614) 2.237 8.351 ( -3.857 29.721 1.096) 29.991 8.992 ( -4.031 -1.360 -1.909) 4.662 9.452 ( 6.411 -4.776 0.634) 8.019 9.895 ( 0.061 18.425 1.263) 18.469 10.804 ( 6.098 -23.847 -3.708) 24.892 12.092 ( -8.941 13.944 4.439) 17.149 12.501 ( 4.435 -2.943 -2.169) 5.748 14.773 ( 0.489 -9.627 -0.636) 9.660 ======================= Grid point 452 (174/580) ======================= q-point: (-0.28 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 0.197 -0.415 -0.691) 0.830 3.907 ( -11.724 7.009 0.914) 13.690 4.480 ( 8.717 -3.815 -2.292) 9.787 6.238 ( -1.012 -1.371 1.385) 2.196 8.312 ( -25.726 14.922 0.612) 29.747 9.032 ( 3.858 9.196 -1.318) 10.059 9.410 ( -0.923 -11.546 0.136) 11.583 9.956 ( -11.035 8.248 1.825) 13.897 10.838 ( 21.047 -12.675 -2.905) 24.740 12.122 ( -4.962 13.850 4.885) 15.502 12.409 ( -7.930 -7.480 -3.688) 11.508 14.819 ( 12.329 -4.080 0.030) 12.986 ======================= Grid point 453 (175/580) ======================= q-point: (-0.22 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -0.484 0.737 0.230) 0.912 3.718 ( -13.789 -0.231 0.441) 13.798 4.576 ( 4.178 0.963 -1.773) 4.640 6.209 ( -1.704 -0.920 0.754) 2.078 7.879 ( -31.584 -0.176 0.770) 31.594 9.202 ( 1.813 10.864 -1.454) 11.109 9.227 ( -5.812 -9.996 0.912) 11.599 9.753 ( -14.481 -1.740 -0.345) 14.589 11.165 ( 21.225 2.128 -1.298) 21.371 12.097 ( -14.934 -11.997 -3.366) 19.449 12.219 ( -0.161 11.443 4.685) 12.366 15.075 ( 19.332 -0.716 -0.843) 19.364 ======================= Grid point 454 (176/580) ======================= q-point: (-0.17 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -1.362 1.710 1.714) 2.778 3.451 ( -14.534 -4.309 0.430) 15.165 4.617 ( -1.784 3.882 -2.283) 4.844 6.145 ( -6.109 -0.282 -0.192) 6.118 7.288 ( -30.940 -8.941 1.257) 32.230 8.961 ( -6.207 -19.199 -0.157) 20.178 9.341 ( -7.108 15.614 -0.380) 17.160 9.482 ( -13.185 3.926 -1.955) 13.896 11.552 ( 19.334 6.026 -1.241) 20.289 11.679 ( -17.512 -13.594 -2.167) 22.275 12.361 ( 4.184 7.366 4.929) 9.801 15.427 ( 22.095 -0.067 -2.576) 22.245 ======================= Grid point 455 (177/580) ======================= q-point: (-0.11 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -2.564 2.465 3.353) 4.888 3.152 ( -14.525 -5.555 0.502) 15.559 4.573 ( -7.969 5.705 -3.480) 10.400 5.938 ( -18.287 -2.547 -1.279) 18.507 6.736 ( -21.283 -8.464 1.652) 22.964 8.635 ( -10.846 -16.624 -2.081) 19.957 9.092 ( -21.298 2.147 -0.513) 21.412 9.559 ( -1.084 19.676 -1.748) 19.783 11.239 ( -17.786 -12.551 -1.170) 21.800 11.933 ( 19.706 4.383 -2.646) 20.360 12.534 ( 8.150 2.884 7.075) 11.171 15.791 ( 21.822 -1.131 -4.745) 22.361 ======================= Grid point 456 (178/580) ======================= q-point: (-0.06 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -4.563 3.157 4.791) 7.331 2.862 ( -13.659 -4.092 0.417) 14.265 4.439 ( -13.420 7.122 -4.629) 15.883 5.473 ( -28.162 -5.389 -1.108) 28.694 6.424 ( -12.489 -0.500 0.156) 12.500 8.259 ( -16.910 -9.350 -3.125) 19.574 8.745 ( -22.187 4.202 -0.830) 22.597 9.743 ( 0.903 18.157 -1.716) 18.260 10.835 ( -14.867 -11.345 -0.300) 18.703 12.284 ( 19.170 1.262 -7.799) 20.734 12.745 ( 13.003 -1.997 13.167) 18.612 16.106 ( 19.093 -3.084 -7.241) 20.651 ======================= Grid point 464 (179/580) ======================= q-point: ( 0.39 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -0.000 6.488 -0.002) 6.488 2.809 ( 0.000 -2.003 8.071) 8.316 4.342 ( -0.000 14.211 -7.733) 16.179 5.070 ( -0.000 19.192 -0.393) 19.196 6.351 ( -0.000 12.739 -1.440) 12.820 8.058 ( -0.000 13.816 -3.375) 14.222 8.663 ( -0.000 20.764 -1.328) 20.807 10.294 ( -0.000 19.213 -0.675) 19.225 10.299 ( 0.000 -4.070 1.016) 4.195 11.674 ( -0.000 -3.883 -7.739) 8.658 13.146 ( 0.000 -24.916 7.751) 26.094 16.393 ( -0.000 -12.243 -5.922) 13.600 ======================= Grid point 465 (180/580) ======================= q-point: ( 0.44 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 4.761 3.409 1.041) 5.947 2.802 ( 2.201 -0.903 4.827) 5.382 4.433 ( -1.419 11.315 -7.421) 13.606 5.368 ( 13.918 17.208 -0.630) 22.141 6.489 ( 4.157 8.371 0.159) 9.347 8.195 ( 5.593 6.790 -4.784) 10.013 8.910 ( 5.451 20.142 -1.592) 20.928 10.086 ( -14.415 4.145 0.416) 15.005 10.669 ( 16.076 10.152 1.128) 19.046 11.627 ( -3.065 2.314 -4.903) 6.228 12.912 ( -2.593 -21.074 5.495) 21.932 16.192 ( -6.860 -13.447 -4.771) 15.832 ======================= Grid point 466 (181/580) ======================= q-point: ( 0.50 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -0.350 -3.518 3.784) 5.179 3.027 ( 12.879 5.402 0.422) 13.972 4.478 ( -2.444 8.438 -5.841) 10.549 5.842 ( 19.232 17.641 -1.045) 26.118 6.672 ( 11.869 2.499 1.708) 12.249 8.364 ( 10.120 3.422 -4.369) 11.541 9.216 ( 7.906 18.071 -1.265) 19.765 9.892 ( -13.921 5.580 -0.175) 14.999 11.055 ( 20.006 4.952 1.812) 20.689 11.562 ( -8.317 5.446 -3.733) 10.620 12.690 ( -4.158 -14.410 4.155) 15.563 15.876 ( -12.604 -13.651 -3.926) 18.990 ======================= Grid point 467 (182/580) ======================= q-point: ( 0.56 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -0.129 -3.102 2.131) 3.766 3.330 ( 15.778 5.405 0.652) 16.691 4.481 ( -3.658 5.341 -3.803) 7.508 6.236 ( 6.246 13.078 -0.602) 14.506 7.043 ( 29.820 2.973 1.653) 30.014 8.587 ( 13.658 2.164 -2.181) 13.999 9.495 ( 5.966 13.636 -1.301) 14.940 9.724 ( -12.493 6.802 -0.664) 14.241 11.383 ( -6.419 -1.323 1.826) 6.804 11.493 ( 16.952 5.542 -3.469) 18.169 12.519 ( -5.316 -6.000 3.656) 8.811 15.487 ( -16.005 -12.375 -3.195) 20.482 ======================= Grid point 468 (183/580) ======================= q-point: ( 0.61 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 0.283 -2.158 0.883) 2.349 3.662 ( 16.085 5.620 0.710) 17.053 4.432 ( -5.297 1.773 -2.152) 5.986 6.336 ( -2.016 4.271 0.121) 4.725 7.696 ( 35.474 9.707 0.841) 36.788 8.837 ( 13.684 -0.523 -0.312) 13.697 9.558 ( -11.621 8.378 0.456) 14.333 9.721 ( 5.758 7.865 -2.534) 10.071 11.115 ( -17.515 -4.105 -0.818) 18.008 11.918 ( 24.063 1.704 -1.230) 24.155 12.407 ( -6.027 0.318 3.692) 7.076 15.091 ( -15.868 -9.489 -2.252) 18.626 ======================= Grid point 469 (184/580) ======================= q-point: ( 0.67 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 0.660 -0.948 0.135) 1.163 3.984 ( 14.247 6.262 0.738) 15.580 4.319 ( -6.977 -2.314 -1.190) 7.446 6.307 ( -3.171 0.255 0.182) 3.186 8.366 ( 27.972 12.665 0.589) 30.711 8.963 ( 2.012 -5.240 -0.658) 5.652 9.453 ( -6.796 3.431 0.726) 7.647 9.950 ( 12.548 10.641 -1.101) 16.489 10.722 ( -19.258 -10.317 -0.533) 21.854 12.271 ( 10.176 3.287 -2.717) 11.033 12.346 ( 0.471 0.010 3.916) 3.944 14.781 ( -10.288 -5.001 -0.910) 11.475 ======================= Grid point 470 (185/580) ======================= q-point: (-0.28 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 0.763 0.328 0.002) 0.830 4.139 ( -10.177 -3.529 -0.007) 10.771 4.271 ( 12.570 4.326 0.005) 13.294 6.256 ( -2.181 -0.748 0.001) 2.306 8.775 ( -16.462 -5.465 0.005) 17.345 8.860 ( 17.676 5.945 0.002) 18.649 9.396 ( -1.954 -0.409 0.020) 1.997 10.283 ( -17.883 -11.404 -0.737) 21.223 10.365 ( 21.358 12.501 0.732) 24.758 12.241 ( -4.695 -3.072 -0.087) 5.611 12.464 ( 2.040 1.948 0.064) 2.822 14.675 ( 1.172 0.411 -0.000) 1.242 ======================= Grid point 471 (186/580) ======================= q-point: (-0.22 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 0.479 1.498 0.513) 1.655 3.898 ( -11.114 -7.825 -0.033) 13.592 4.500 ( 7.856 6.277 0.005) 10.056 6.223 ( -0.994 -0.418 -0.257) 1.108 8.309 ( -25.242 -15.370 0.287) 29.554 9.048 ( 4.025 -7.652 0.323) 8.652 9.413 ( -1.177 11.737 0.541) 11.808 9.918 ( -10.986 -10.581 -2.273) 15.421 10.880 ( 20.342 16.092 1.519) 25.982 12.047 ( -6.690 -16.509 -3.252) 18.107 12.472 ( -5.667 8.513 3.208) 10.718 14.813 ( 11.522 3.690 -0.698) 12.118 ======================= Grid point 472 (187/580) ======================= q-point: (-0.17 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -0.155 2.399 1.513) 2.841 3.612 ( -12.049 -9.604 0.133) 15.409 4.657 ( 2.785 7.065 -0.816) 7.638 6.204 ( -1.523 0.306 -0.528) 1.641 7.649 ( -28.388 -23.173 0.596) 36.650 8.919 ( -5.983 -10.841 0.977) 12.421 9.549 ( -0.147 14.514 -0.123) 14.516 9.670 ( -9.103 -4.665 -3.129) 10.697 11.347 ( 15.288 13.311 2.399) 20.412 11.701 ( -8.681 -20.861 -4.352) 23.010 12.485 ( -4.208 9.151 4.268) 10.939 15.096 ( 16.882 3.679 -2.254) 17.425 ======================= Grid point 473 (188/580) ======================= q-point: (-0.11 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -1.031 2.934 2.718) 4.130 3.309 ( -12.222 -9.413 0.193) 15.428 4.725 ( -2.952 7.675 -2.309) 8.541 6.139 ( -7.845 -0.301 -1.052) 7.921 6.958 ( -22.397 -23.887 1.182) 32.766 8.678 ( -10.715 -8.237 -0.938) 13.548 9.427 ( -15.163 1.171 -1.860) 15.322 9.713 ( 2.182 12.561 -1.224) 12.808 11.279 ( -8.159 -23.524 0.342) 24.901 11.750 ( 11.204 13.080 -1.654) 17.301 12.532 ( -0.417 5.845 4.703) 7.514 15.425 ( 18.989 1.654 -3.822) 19.440 ======================= Grid point 474 (189/580) ======================= q-point: (-0.06 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -2.142 3.123 3.842) 5.395 3.023 ( -11.422 -6.921 0.048) 13.355 4.693 ( -8.741 8.171 -4.115) 12.653 5.834 ( -22.262 -7.542 -1.288) 23.540 6.542 ( -6.675 -10.385 1.213) 12.405 8.399 ( -12.965 -5.240 -3.564) 14.431 9.149 ( -19.705 4.394 -1.720) 20.262 9.881 ( 3.101 12.948 -0.690) 13.333 10.922 ( -9.511 -18.304 0.587) 20.635 12.034 ( 11.095 7.134 -2.606) 13.446 12.618 ( 4.615 1.310 6.490) 8.071 15.738 ( 18.583 -1.338 -5.274) 19.363 ======================= Grid point 483 (190/580) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -0.000 4.378 -0.322) 4.390 2.782 ( 0.000 -3.755 4.326) 5.728 4.526 ( -0.000 9.010 -6.607) 11.173 5.381 ( -0.000 12.565 -0.372) 12.571 6.523 ( -0.000 4.872 0.288) 4.881 8.192 ( -0.000 5.161 -5.938) 7.867 9.045 ( -0.000 18.610 -2.684) 18.802 10.230 ( 0.000 -4.046 2.333) 4.671 10.611 ( -0.000 9.528 1.808) 9.698 11.716 ( -0.000 10.298 -3.152) 10.770 12.759 ( 0.000 -16.179 3.635) 16.582 16.106 ( -0.000 -13.487 -3.782) 14.008 ======================= Grid point 484 (191/580) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -0.248 -3.509 3.001) 4.624 2.886 ( 7.953 3.489 -0.083) 8.685 4.574 ( -1.531 6.773 -4.687) 8.378 5.645 ( 17.351 11.092 -0.497) 20.600 6.573 ( 2.354 0.426 0.682) 2.487 8.264 ( 4.916 4.407 -5.075) 8.327 9.260 ( 5.453 15.950 -2.573) 17.051 10.112 ( -8.653 -1.178 1.859) 8.928 10.798 ( 12.638 1.432 2.485) 12.959 11.763 ( -5.815 9.165 -2.555) 11.151 12.634 ( -1.529 -7.743 2.757) 8.360 15.907 ( -6.948 -12.274 -3.076) 14.436 ======================= Grid point 485 (192/580) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -0.264 -2.683 1.995) 3.354 3.109 ( 14.025 2.740 0.180) 14.291 4.582 ( -3.007 4.661 -2.270) 5.993 6.146 ( 23.466 13.752 -0.960) 27.216 6.631 ( 10.226 -6.423 0.920) 12.111 8.418 ( 9.420 3.983 -2.456) 10.518 9.497 ( 6.557 10.801 -2.254) 12.835 9.960 ( -9.704 1.719 1.104) 9.917 11.075 ( 20.005 -2.163 1.559) 20.182 11.668 ( -11.890 3.831 -1.749) 12.614 12.566 ( -3.086 -0.593 2.287) 3.887 15.621 ( -12.645 -9.225 -2.477) 15.847 ======================= Grid point 486 (193/580) ======================= q-point: ( 0.61 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -0.018 -1.529 1.201) 1.944 3.403 ( 17.294 1.738 0.146) 17.381 4.546 ( -5.066 2.491 -0.190) 5.649 6.419 ( -1.921 5.266 -0.973) 5.689 7.052 ( 41.583 -1.132 0.467) 41.601 8.634 ( 11.841 2.343 -0.029) 12.071 9.663 ( 5.060 4.792 -2.221) 7.315 9.816 ( -10.159 2.386 0.737) 10.462 11.429 ( -16.595 2.310 2.701) 16.971 11.460 ( 24.890 -3.066 -3.081) 25.266 12.512 ( -4.403 0.791 1.870) 4.849 15.297 ( -16.109 -4.530 -1.644) 16.815 ======================= Grid point 487 (194/580) ======================= q-point: (-0.33 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 0.438 -0.293 0.592) 0.793 3.716 ( 17.875 -0.381 -0.368) 17.883 4.458 ( -7.313 1.191 1.476) 7.555 6.372 ( -4.182 -0.250 -1.051) 4.319 7.790 ( 41.879 -0.315 -0.035) 41.880 8.837 ( 9.782 0.098 0.413) 9.791 9.639 ( -11.069 -0.451 -0.369) 11.084 9.804 ( 8.444 1.518 -0.231) 8.583 11.078 ( -22.946 0.230 0.997) 22.969 11.910 ( 25.848 0.540 -1.457) 25.894 12.433 ( -5.147 -1.617 1.247) 5.537 14.995 ( -16.059 1.038 -0.325) 16.096 ======================= Grid point 488 (195/580) ======================= q-point: (-0.28 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 0.925 0.862 0.257) 1.290 3.960 ( 12.764 -7.379 -1.774) 14.850 4.362 ( -5.673 4.940 3.380) 8.247 6.294 ( -3.285 -1.140 -1.241) 3.691 8.350 ( 27.132 -13.777 -1.160) 30.452 8.981 ( 3.801 6.620 1.346) 7.751 9.435 ( -7.320 -4.864 -1.133) 8.861 9.968 ( 11.051 -9.038 0.876) 14.303 10.745 ( -18.334 12.255 1.983) 22.142 12.279 ( 2.294 0.079 -3.848) 4.480 12.311 ( 8.405 -5.877 2.009) 10.451 14.799 ( -10.562 6.628 1.017) 12.511 ======================= Grid point 489 (196/580) ======================= q-point: (-0.22 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 1.188 1.835 0.311) 2.208 3.915 ( -3.059 -13.667 -1.235) 14.060 4.459 ( 5.721 8.736 2.878) 10.832 6.239 ( -1.633 -0.596 -1.316) 2.180 8.330 ( -2.742 -29.482 -1.182) 29.632 9.026 ( -5.346 1.219 1.815) 5.775 9.437 ( 8.573 4.458 -1.057) 9.720 9.883 ( -2.767 -17.092 0.082) 17.315 10.864 ( 6.594 25.121 2.704) 26.113 12.031 ( -10.506 -15.036 -2.156) 18.469 12.519 ( 6.931 2.110 -0.127) 7.246 14.788 ( -0.917 10.176 1.018) 10.268 ======================= Grid point 490 (197/580) ======================= q-point: (-0.17 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 1.027 2.538 0.754) 2.840 3.670 ( -8.213 -13.723 -0.319) 15.996 4.656 ( 5.981 7.724 1.446) 9.875 6.218 ( -0.351 0.289 -1.203) 1.286 7.783 ( -20.469 -34.721 -0.073) 40.305 8.930 ( -3.301 -5.390 1.037) 6.405 9.634 ( 4.096 8.584 0.408) 9.520 9.686 ( -2.804 -9.045 -1.695) 9.620 11.298 ( 12.495 21.506 3.065) 25.061 11.638 ( -11.859 -21.632 -3.377) 24.900 12.603 ( 0.350 3.572 1.256) 3.802 14.948 ( 6.933 9.822 -0.372) 12.028 ======================= Grid point 491 (198/580) ======================= q-point: (-0.11 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 0.411 2.888 1.449) 3.257 3.385 ( -9.444 -12.503 -0.032) 15.669 4.804 ( 2.114 7.404 -0.205) 7.702 6.214 ( -1.342 1.115 -0.982) 2.002 7.047 ( -22.574 -35.294 0.397) 41.897 8.801 ( -7.616 -3.124 0.595) 8.254 9.567 ( -3.088 -3.171 -2.461) 5.064 9.770 ( 1.670 7.997 0.278) 8.175 11.173 ( -10.496 -25.409 0.322) 27.493 11.721 ( 10.470 16.946 -0.662) 19.930 12.631 ( -1.856 4.343 2.134) 5.183 15.188 ( 11.473 6.613 -1.822) 13.367 ======================= Grid point 492 (199/580) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( -0.511 2.837 2.204) 3.629 3.116 ( -8.972 -9.350 -0.104) 12.958 4.866 ( -3.215 7.441 -2.389) 8.451 6.088 ( -16.298 -6.486 -1.259) 17.587 6.472 ( -4.506 -21.340 1.305) 21.850 8.607 ( -13.218 0.743 -1.998) 13.389 9.453 ( -10.546 3.180 -2.554) 11.307 9.888 ( 4.889 5.641 0.699) 7.497 10.798 ( -3.732 -24.736 1.332) 25.052 12.000 ( 5.890 11.766 -1.555) 13.250 12.646 ( -1.911 3.934 3.016) 5.313 15.444 ( 13.842 2.090 -2.787) 14.274 ======================= Grid point 502 (200/580) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 0.000 -2.896 2.382) 3.750 2.843 ( -0.000 2.269 -0.115) 2.272 4.633 ( -0.000 4.839 -2.751) 5.567 5.563 ( -0.000 6.178 -0.175) 6.180 6.564 ( 0.000 0.030 0.027) 0.040 8.250 ( -0.000 4.091 -3.615) 5.460 9.346 ( -0.000 12.755 -2.359) 12.972 10.162 ( 0.000 -4.225 2.134) 4.733 10.706 ( 0.000 0.669 1.221) 1.393 11.876 ( -0.000 3.958 -1.380) 4.192 12.620 ( 0.000 0.430 2.002) 2.048 15.850 ( -0.000 -9.531 -2.467) 9.845 ======================= Grid point 503 (201/580) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -0.192 -1.846 1.826) 2.604 2.933 ( 8.257 1.220 0.129) 8.348 4.655 ( -1.484 3.116 -0.286) 3.463 5.796 ( 21.124 4.176 -0.137) 21.533 6.553 ( -0.798 -1.441 -0.618) 1.759 8.325 ( 5.055 3.314 -0.617) 6.076 9.486 ( 4.450 7.510 -1.294) 8.825 10.085 ( -4.729 -2.008 0.862) 5.210 10.791 ( 10.231 -1.795 -1.270) 10.465 11.845 ( -5.839 1.201 0.676) 6.000 12.627 ( -2.087 2.144 1.310) 3.266 15.712 ( -6.760 -4.891 -1.969) 8.573 ======================= Grid point 504 (202/580) ======================= q-point: (-0.39 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -0.188 -0.689 1.244) 1.435 3.136 ( 14.289 -0.047 0.151) 14.290 4.639 ( -3.319 1.262 1.824) 3.992 6.336 ( 37.265 1.198 0.035) 37.284 6.502 ( -2.805 -1.379 -1.420) 3.434 8.474 ( 9.013 1.367 1.838) 9.299 9.609 ( 4.794 1.484 -0.479) 5.041 9.972 ( -7.275 -1.106 -0.444) 7.372 11.026 ( 20.190 -1.409 -3.694) 20.574 11.712 ( -12.029 1.467 3.258) 12.548 12.585 ( -3.709 -0.928 0.664) 3.880 15.522 ( -12.370 0.899 -1.252) 12.466 ======================= Grid point 505 (203/580) ======================= q-point: (-0.33 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 0.102 0.339 0.588) 0.687 3.399 ( 17.050 -2.086 -0.260) 17.179 4.577 ( -5.203 -0.282 3.304) 6.170 6.414 ( -2.510 -4.874 -1.589) 5.708 7.044 ( 42.008 0.151 -0.401) 42.010 8.652 ( 10.782 -1.216 1.920) 11.019 9.689 ( 5.556 -2.463 0.572) 6.104 9.800 ( -10.110 -3.228 -0.988) 10.659 11.342 ( 6.230 -2.184 -5.140) 8.367 11.554 ( 2.419 3.830 5.505) 7.130 12.494 ( -4.674 -3.094 -0.084) 5.606 15.311 ( -15.860 6.457 -0.039) 17.124 ======================= Grid point 506 (204/580) ======================= q-point: (-0.28 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 0.690 1.146 -0.036) 1.338 3.645 ( 15.420 -6.127 -1.094) 16.629 4.491 ( -5.128 0.185 4.450) 6.792 6.319 ( -2.422 -4.164 -1.816) 5.148 7.677 ( 35.155 -10.999 -1.182) 36.854 8.848 ( 13.285 1.162 0.948) 13.370 9.550 ( -12.001 -7.855 -0.328) 14.347 9.756 ( 6.118 -7.352 1.277) 9.649 11.147 ( -16.250 6.206 2.796) 17.618 11.920 ( 24.139 -1.159 -1.042) 24.189 12.358 ( -7.227 -3.287 -1.610) 8.101 15.125 ( -15.666 11.170 1.509) 19.299 ======================= Grid point 507 (205/580) ======================= q-point: (-0.22 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 1.392 1.729 -0.446) 2.264 3.745 ( 6.303 -12.535 -1.544) 14.115 4.480 ( 1.113 3.697 4.832) 6.185 6.247 ( -1.233 -2.888 -1.742) 3.591 7.921 ( 14.904 -26.769 -2.103) 30.710 9.138 ( 4.779 4.977 3.063) 7.549 9.265 ( -0.005 -9.074 -1.918) 9.274 9.730 ( 2.823 -13.978 1.321) 14.321 11.088 ( -4.567 18.331 4.134) 19.338 12.046 ( -5.093 -16.945 -0.131) 17.694 12.349 ( 10.722 5.797 -4.152) 12.877 15.028 ( -10.905 14.614 2.492) 18.404 ======================= Grid point 508 (206/580) ======================= q-point: (-0.17 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 1.873 2.101 -0.533) 2.865 3.620 ( -2.875 -15.345 -0.749) 15.630 4.616 ( 6.857 5.070 3.683) 9.289 6.212 ( 0.247 -1.586 -1.392) 2.125 7.665 ( -6.950 -35.900 -1.167) 36.585 8.923 ( -5.787 -10.964 0.619) 12.413 9.548 ( 13.547 6.836 -0.036) 15.174 9.626 ( 0.011 -10.764 1.703) 10.898 11.341 ( 7.811 21.087 3.227) 22.717 11.673 ( -15.141 -19.245 -1.513) 24.534 12.546 ( 7.722 1.813 -2.502) 8.317 15.056 ( -4.226 15.336 2.080) 16.043 ======================= Grid point 509 (207/580) ======================= q-point: (-0.11 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 1.832 2.237 -0.341) 2.911 3.386 ( -6.215 -14.449 -0.148) 15.729 4.794 ( 6.480 4.882 2.125) 8.387 6.212 ( 1.404 -0.776 -0.722) 1.760 7.051 ( -19.569 -36.923 -0.406) 41.790 8.800 ( 1.257 -8.702 0.736) 8.824 9.550 ( -0.209 -4.779 1.459) 5.002 9.774 ( 6.057 5.644 -0.534) 8.296 11.179 ( -17.451 -21.642 -1.207) 27.827 11.712 ( 10.562 17.392 1.537) 20.406 12.645 ( 3.538 1.095 -1.084) 3.859 15.176 ( 0.877 12.699 0.907) 12.761 ======================= Grid point 510 (208/580) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 1.195 2.070 0.000) 2.391 3.146 ( -6.437 -11.148 -0.000) 12.873 4.928 ( 2.788 4.828 0.000) 5.575 6.234 ( 0.480 0.832 -0.000) 0.960 6.359 ( -18.574 -32.171 -0.000) 37.148 8.748 ( -1.918 -3.321 0.000) 3.835 9.536 ( 0.451 0.780 -0.000) 0.901 9.883 ( 2.144 3.714 -0.000) 4.288 10.689 ( -12.856 -22.267 -0.000) 25.711 12.007 ( 6.535 11.319 -0.000) 13.071 12.702 ( 1.399 2.423 0.000) 2.797 15.325 ( 4.415 7.646 -0.000) 8.829 ======================= Grid point 522 (209/580) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 0.000 -0.799 1.617) 1.803 2.867 ( 0.000 0.095 0.292) 0.307 4.693 ( 0.000 1.520 2.084) 2.579 5.625 ( 0.000 0.096 0.114) 0.149 6.553 ( -0.000 -0.261 -1.566) 1.587 8.311 ( 0.000 2.055 2.517) 3.249 9.492 ( 0.000 1.546 0.773) 1.729 10.102 ( -0.000 -1.449 -0.795) 1.653 10.682 ( -0.000 -1.479 -4.759) 4.984 11.909 ( 0.000 1.295 3.052) 3.315 12.660 ( 0.000 -0.798 0.559) 0.974 15.744 ( -0.000 0.808 -1.629) 1.818 ======================= Grid point 523 (210/580) ======================= q-point: (-0.39 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -0.201 0.157 1.044) 1.075 2.935 ( 8.147 -1.143 0.406) 8.237 4.694 ( -1.701 -0.382 4.056) 4.414 5.800 ( 21.341 -3.852 0.346) 21.689 6.537 ( -1.008 0.934 -2.335) 2.710 8.373 ( 4.555 -0.117 4.709) 6.553 9.515 ( 4.143 -5.354 1.916) 7.036 10.058 ( -4.446 0.214 -2.189) 4.960 10.742 ( 10.547 -0.121 -6.479) 12.379 11.887 ( -5.783 0.925 5.021) 7.715 12.614 ( -2.133 -3.865 -0.162) 4.417 15.720 ( -6.644 6.589 -1.133) 9.426 ======================= Grid point 524 (211/580) ======================= q-point: (-0.33 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -0.162 0.797 0.143) 0.826 3.108 ( 13.663 -2.919 0.110) 13.972 4.649 ( -3.443 -2.485 5.170) 6.690 6.159 ( 23.426 -13.631 0.477) 27.108 6.597 ( 10.053 6.230 -2.845) 12.165 8.480 ( 7.846 -2.647 4.279) 9.321 9.530 ( 6.062 -10.569 1.410) 12.266 9.933 ( -8.800 -1.000 -1.774) 9.033 11.004 ( 19.991 2.173 -5.825) 20.936 11.746 ( -11.113 -2.690 6.423) 13.114 12.536 ( -3.293 -1.341 -1.001) 3.694 15.642 ( -12.264 11.068 -0.175) 16.521 ======================= Grid point 525 (212/580) ======================= q-point: (-0.28 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 0.278 1.103 -0.852) 1.422 3.319 ( 15.207 -5.831 -0.594) 16.297 4.567 ( -3.999 -3.625 5.725) 7.868 6.235 ( 5.037 -11.888 -0.782) 12.934 7.007 ( 30.262 -4.530 -2.288) 30.684 8.628 ( 11.957 -1.516 2.385) 12.287 9.506 ( 4.951 -15.066 -0.098) 15.859 9.735 ( -10.769 -4.806 0.593) 11.808 11.342 ( 10.190 4.543 -2.424) 11.417 11.577 ( 1.346 -5.981 5.670) 8.351 12.465 ( -5.980 3.438 -2.439) 7.316 15.528 ( -15.487 14.179 1.293) 21.037 ======================= Grid point 526 (213/580) ======================= q-point: (-0.22 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 1.133 1.196 -1.673) 2.347 3.472 ( 11.278 -10.498 -1.285) 15.461 4.503 ( -0.924 -2.417 5.934) 6.473 6.186 ( 2.290 -8.664 -0.894) 9.006 7.345 ( 22.328 -20.832 -3.106) 30.695 8.915 ( 19.195 4.809 1.803) 19.870 9.332 ( -10.911 -14.228 0.491) 17.937 9.529 ( 1.175 -15.511 0.513) 15.564 11.362 ( -7.353 12.156 6.978) 15.828 11.751 ( 16.626 -14.486 -0.748) 22.064 12.401 ( -5.853 9.403 -5.191) 12.232 15.419 ( -15.003 16.501 2.836) 22.482 ======================= Grid point 527 (214/580) ======================= q-point: (-0.17 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 2.120 1.211 -2.136) 3.244 3.465 ( 3.122 -14.830 -1.100) 15.195 4.547 ( 5.565 -0.067 5.328) 7.705 6.149 ( 2.670 -6.913 -0.503) 7.428 7.325 ( 6.563 -30.698 -2.833) 31.520 8.947 ( -12.913 -16.427 1.458) 20.945 9.328 ( 18.967 4.618 0.960) 19.545 9.454 ( 6.766 -12.191 1.083) 13.985 11.466 ( 1.174 13.500 7.369) 15.425 11.681 ( -5.206 -16.009 -1.686) 16.918 12.463 ( 3.088 8.588 -6.122) 10.990 15.371 ( -11.405 17.706 3.635) 21.373 ======================= Grid point 528 (215/580) ======================= q-point: (-0.11 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 2.768 1.180 -2.258) 3.762 3.311 ( -2.268 -15.361 -0.360) 15.531 4.697 ( 8.993 0.773 4.074) 9.903 6.133 ( 3.548 -7.546 0.231) 8.342 6.971 ( -9.984 -30.985 -1.748) 32.600 8.667 ( -1.443 -14.472 1.645) 14.637 9.413 ( 7.639 -12.428 1.423) 14.657 9.703 ( 10.740 8.269 1.059) 13.596 11.284 ( -15.490 -19.010 -0.782) 24.535 11.729 ( 6.286 16.415 3.106) 17.850 12.573 ( 4.102 3.114 -4.551) 6.872 15.393 ( -7.553 16.667 3.404) 18.612 ======================= Grid point 541 (216/580) ======================= q-point: (-0.39 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 0.000 0.744 0.506) 0.900 2.849 ( 0.000 -2.184 0.562) 2.255 4.711 ( 0.000 -2.404 5.888) 6.360 5.568 ( 0.000 -6.045 0.328) 6.054 6.542 ( -0.000 0.113 -2.577) 2.580 8.341 ( 0.000 -2.200 6.341) 6.712 9.394 ( 0.000 -12.117 3.038) 12.492 10.116 ( -0.000 3.743 -2.907) 4.739 10.624 ( -0.000 -0.234 -7.524) 7.527 11.948 ( 0.000 -3.019 6.308) 6.993 12.593 ( -0.000 -2.165 -1.009) 2.389 15.864 ( -0.000 11.327 -0.946) 11.367 ======================= Grid point 542 (217/580) ======================= q-point: (-0.33 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -0.249 0.880 -0.645) 1.120 2.891 ( 7.652 -3.616 0.462) 8.476 4.676 ( -1.951 -5.039 6.596) 8.526 5.654 ( 17.669 -10.990 0.497) 20.814 6.544 ( 1.836 0.246 -2.600) 3.192 8.359 ( 3.946 -4.411 5.380) 7.999 9.302 ( 4.634 -16.519 2.055) 17.279 10.076 ( -7.629 2.257 -2.082) 8.224 10.721 ( 13.027 0.810 -5.719) 14.250 11.854 ( -5.659 -8.902 7.377) 12.872 12.592 ( -1.654 5.759 -2.073) 6.341 15.932 ( -6.670 14.293 -0.335) 15.776 ======================= Grid point 543 (218/580) ======================= q-point: (-0.28 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -0.069 0.598 -2.026) 2.114 3.022 ( 12.264 -5.868 -0.148) 13.596 4.590 ( -2.873 -7.283 6.530) 10.194 5.857 ( 19.435 -17.257 0.688) 26.000 6.630 ( 10.769 -2.091 -2.925) 11.353 8.432 ( 8.859 -4.034 3.106) 10.218 9.227 ( 6.708 -19.252 -0.040) 20.387 9.894 ( -12.411 -4.024 0.109) 13.047 11.005 ( 20.592 -1.798 -3.322) 20.935 11.679 ( -7.970 -4.479 9.087) 12.891 12.619 ( -4.594 11.261 -3.873) 12.764 15.919 ( -12.065 15.839 0.880) 19.930 ======================= Grid point 544 (219/580) ======================= q-point: (-0.22 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 0.704 0.112 -3.175) 3.254 3.164 ( 12.414 -9.339 -1.005) 15.567 4.491 ( -1.377 -7.797 6.294) 10.115 5.948 ( 11.648 -17.251 0.910) 20.835 6.805 ( 17.383 -13.899 -3.813) 22.580 8.635 ( 17.125 -0.279 2.056) 17.251 9.148 ( 6.833 -20.008 -1.360) 21.186 9.568 ( -16.150 -11.879 1.476) 20.102 11.293 ( 19.318 -13.123 -0.663) 23.363 11.612 ( -5.289 11.225 10.261) 16.102 12.622 ( -7.767 13.908 -6.743) 17.298 15.852 ( -14.709 16.829 2.586) 22.500 ======================= Grid point 545 (220/580) ======================= q-point: (-0.17 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 1.983 -0.250 -3.816) 4.307 3.225 ( 7.757 -13.494 -1.364) 15.624 4.455 ( 3.717 -6.141 5.947) 9.322 5.953 ( 8.160 -15.739 1.201) 17.769 6.868 ( 12.573 -23.621 -3.949) 27.049 8.944 ( 8.476 -15.284 1.990) 17.589 9.034 ( 6.354 -12.064 -0.134) 13.636 9.252 ( -0.493 -4.236 1.117) 4.409 11.361 ( 8.333 -19.035 2.577) 20.939 11.750 ( -1.635 17.129 8.105) 19.020 12.603 ( -7.330 14.225 -9.485) 18.602 15.782 ( -14.105 17.593 4.246) 22.945 ======================= Grid point 546 (221/580) ======================= q-point: (-0.11 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 3.231 -0.312 -3.949) 5.112 3.158 ( 2.164 -15.402 -0.794) 15.573 4.535 ( 9.317 -4.322 5.196) 11.510 5.926 ( 7.009 -17.458 1.423) 18.866 6.755 ( 2.936 -23.009 -2.750) 23.358 8.614 ( -9.159 -18.319 2.673) 20.655 9.090 ( 11.834 -17.554 -0.027) 21.171 9.543 ( 17.771 9.084 1.996) 20.058 11.229 ( -1.439 -21.158 1.157) 21.238 11.894 ( -3.599 17.970 5.907) 19.256 12.606 ( -3.456 10.092 -9.087) 14.013 15.747 ( -11.882 17.432 5.178) 21.722 ======================= Grid point 560 (222/580) ======================= q-point: (-0.33 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -0.000 0.437 -1.717) 1.771 2.786 ( 0.000 -4.589 0.437) 4.610 4.649 ( 0.000 -8.179 6.872) 10.683 5.387 ( 0.000 -12.560 0.325) 12.564 6.506 ( -0.000 -3.252 -1.639) 3.642 8.284 ( 0.000 -6.799 4.197) 7.990 9.086 ( 0.000 -19.592 1.761) 19.671 10.194 ( -0.000 5.086 -1.609) 5.334 10.554 ( -0.000 -5.930 -4.230) 7.284 11.827 ( 0.000 -9.126 9.124) 12.905 12.695 ( -0.000 13.299 -3.617) 13.782 16.139 ( -0.000 15.848 -0.134) 15.849 ======================= Grid point 561 (223/580) ======================= q-point: (-0.28 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -0.197 -0.537 -3.315) 3.364 2.796 ( 6.794 -6.236 0.076) 9.222 4.556 ( -1.538 -11.235 6.153) 12.902 5.378 ( 14.330 -17.201 0.409) 22.392 6.478 ( 3.021 -6.558 -1.125) 7.308 8.257 ( 5.249 -8.785 2.044) 10.436 8.927 ( 4.409 -21.277 0.244) 21.730 10.079 ( -13.144 -2.609 -0.340) 13.404 10.638 ( 16.227 -7.461 -2.192) 17.994 11.779 ( -3.006 0.654 12.053) 12.439 12.812 ( -2.849 17.026 -5.990) 18.272 16.241 ( -6.519 16.164 0.687) 17.443 ======================= Grid point 562 (224/580) ======================= q-point: (-0.22 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 0.334 -1.744 -4.708) 5.032 2.873 ( 10.336 -8.881 -0.833) 13.653 4.427 ( -0.924 -12.907 5.395) 14.019 5.479 ( 18.375 -21.858 0.870) 28.569 6.472 ( 7.119 -11.911 -1.786) 13.990 8.323 ( 13.718 -10.984 0.968) 17.600 8.811 ( 6.988 -21.771 -1.422) 22.909 9.759 ( -16.737 -8.092 1.111) 18.624 10.856 ( 17.843 -9.678 -0.458) 20.303 11.831 ( -2.784 12.202 14.773) 19.362 12.885 ( -6.692 18.343 -9.247) 21.605 16.248 ( -11.351 16.010 2.225) 19.752 ======================= Grid point 563 (225/580) ======================= q-point: (-0.17 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 1.801 -2.755 -5.398) 6.322 2.942 ( 9.543 -12.288 -1.607) 15.641 4.327 ( 2.725 -12.237 5.091) 13.531 5.550 ( 15.843 -24.223 1.419) 28.978 6.464 ( 9.305 -17.163 -2.409) 19.671 8.488 ( 20.486 -20.154 0.791) 28.748 8.725 ( 8.282 -21.375 -1.718) 22.987 9.427 ( -15.029 0.972 2.261) 15.229 11.007 ( 12.521 -13.949 0.924) 18.767 11.994 ( -1.703 18.053 15.389) 23.783 12.888 ( -10.167 18.074 -12.976) 24.462 16.199 ( -13.341 15.974 4.271) 21.246 ======================= Grid point 564 (226/580) ======================= q-point: (-0.11 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 3.742 -2.940 -5.292) 7.116 2.935 ( 5.889 -14.803 -1.371) 15.990 4.327 ( 8.510 -9.970 4.942) 14.009 5.548 ( 12.493 -26.185 1.485) 29.051 6.441 ( 8.657 -16.928 -1.578) 19.078 8.472 ( 5.219 -29.088 1.407) 29.586 8.693 ( 12.298 -19.007 -0.659) 22.648 9.418 ( 5.356 12.799 2.538) 14.105 10.999 ( 4.389 -17.436 1.142) 18.017 12.179 ( -3.910 18.815 13.483) 23.475 12.827 ( -11.017 15.523 -15.417) 24.495 16.146 ( -12.923 15.924 6.179) 21.418 ======================= Grid point 579 (227/580) ======================= q-point: (-0.28 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 0.000 -7.170 -0.219) 7.173 2.693 ( -0.000 -2.391 -4.678) 5.254 4.454 ( 0.000 -15.196 4.732) 15.916 5.074 ( 0.000 -19.294 0.070) 19.294 6.369 ( 0.000 -10.486 0.477) 10.497 8.092 ( 0.000 -16.009 0.317) 16.012 8.675 ( 0.000 -21.849 -0.091) 21.849 10.287 ( 0.000 -16.675 -1.308) 16.726 10.291 ( -0.000 5.128 0.156) 5.131 11.885 ( 0.000 8.192 15.951) 17.932 13.002 ( -0.000 20.197 -8.715) 21.997 16.456 ( -0.000 15.494 1.005) 15.527 ======================= Grid point 580 (228/580) ======================= q-point: (-0.22 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 2.793 -7.696 -3.232) 8.802 2.644 ( 3.089 -5.969 -3.932) 7.787 4.296 ( -0.081 -17.923 3.336) 18.231 4.980 ( 12.419 -23.248 0.068) 26.357 6.271 ( 2.274 -13.581 0.816) 13.794 7.955 ( 8.264 -25.351 -0.473) 26.669 8.495 ( 4.076 -21.560 -1.116) 21.971 9.967 ( -14.159 -5.541 0.526) 15.214 10.515 ( 14.074 -2.274 0.230) 14.258 12.039 ( -0.792 13.978 19.417) 23.938 13.146 ( -4.087 21.678 -12.023) 25.124 16.555 ( -6.019 14.394 2.063) 15.737 ======================= Grid point 581 (229/580) ======================= q-point: (-0.17 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 1.834 -7.432 -6.731) 10.193 2.665 ( 8.104 -10.905 -2.195) 13.763 4.142 ( 2.739 -18.251 2.832) 18.671 4.997 ( 17.511 -27.331 0.265) 32.461 6.189 ( 4.662 -15.096 0.585) 15.810 7.880 ( 18.087 -35.357 -0.347) 39.716 8.377 ( 6.869 -20.613 -1.765) 21.799 9.720 ( -14.121 5.013 1.794) 15.091 10.704 ( 11.456 -5.374 0.758) 12.676 12.240 ( -0.649 16.763 21.048) 26.915 13.210 ( -9.041 21.841 -15.875) 28.474 16.560 ( -10.009 13.463 3.959) 17.237 ======================= Grid point 582 (230/580) ======================= q-point: (-0.11 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 4.837 -8.390 -6.293) 11.549 2.673 ( 7.229 -13.190 -2.241) 15.207 4.070 ( 8.082 -15.989 3.060) 18.175 5.012 ( 16.932 -30.117 0.497) 34.554 6.148 ( 7.371 -14.031 0.882) 15.874 7.859 ( 22.799 -40.504 -0.021) 46.480 8.318 ( 9.619 -18.596 -1.208) 20.972 9.618 ( -9.048 13.954 2.621) 16.836 10.781 ( 5.445 -9.287 0.860) 10.800 12.453 ( -1.512 16.891 20.334) 26.478 13.172 ( -13.801 20.410 -19.780) 31.596 16.519 ( -11.387 13.035 6.358) 18.439 ======================= Grid point 598 (231/580) ======================= q-point: (-0.22 -0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.000 -10.165 -1.446) 10.268 2.558 ( -0.000 -8.197 -7.909) 11.390 4.103 ( 0.000 -22.036 1.280) 22.073 4.632 ( 0.000 -25.183 -0.348) 25.185 6.117 ( 0.000 -14.786 2.021) 14.924 7.555 ( 0.000 -39.558 -1.070) 39.573 8.250 ( 0.000 -20.190 -1.169) 20.224 10.065 ( 0.000 -2.707 0.086) 2.708 10.398 ( 0.000 5.273 1.185) 5.405 12.249 ( 0.000 14.714 23.387) 27.631 13.371 ( -0.000 24.035 -14.816) 28.235 16.745 ( -0.000 12.410 2.394) 12.639 ======================= Grid point 599 (232/580) ======================= q-point: (-0.17 -0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 2.584 -13.457 -4.541) 14.435 2.459 ( 3.430 -10.379 -6.910) 12.932 3.892 ( 2.464 -23.855 0.326) 23.984 4.470 ( 11.005 -27.825 -0.414) 29.925 5.994 ( 1.898 -14.431 2.229) 14.725 7.200 ( 11.204 -49.388 -0.860) 50.650 8.088 ( 3.626 -18.451 -1.463) 18.860 9.992 ( -9.108 7.708 0.998) 11.973 10.528 ( 7.267 2.261 1.080) 7.687 12.465 ( 0.154 14.312 25.480) 29.225 13.522 ( -5.586 25.292 -17.652) 31.345 16.820 ( -5.124 10.557 3.561) 12.263 ======================= Grid point 600 (233/580) ======================= q-point: (-0.11 -0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 5.278 -15.807 -6.971) 18.064 2.426 ( 6.546 -12.182 -4.169) 14.444 3.748 ( 8.009 -22.364 0.467) 23.759 4.423 ( 16.093 -30.024 -0.161) 34.066 5.920 ( 4.541 -12.498 2.332) 13.500 6.989 ( 23.532 -51.987 -0.613) 57.068 8.000 ( 6.686 -16.408 -1.281) 17.764 9.938 ( -10.172 14.029 1.848) 17.427 10.643 ( 4.687 -1.536 0.830) 5.002 12.678 ( 0.089 13.128 24.390) 27.699 13.565 ( -12.250 24.966 -20.273) 34.414 16.815 ( -7.982 9.391 5.713) 13.585 ======================= Grid point 617 (234/580) ======================= q-point: (-0.17 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -0.000 -14.345 -3.207) 14.699 2.262 ( -0.000 -16.324 -11.200) 19.796 3.608 ( 0.000 -27.858 -0.990) 27.875 4.097 ( 0.000 -27.970 -0.654) 27.978 5.848 ( 0.000 -13.208 2.598) 13.461 6.559 ( 0.000 -58.455 -0.719) 58.459 7.883 ( 0.000 -16.010 -1.280) 16.062 10.163 ( -0.000 10.359 0.560) 10.374 10.511 ( 0.000 5.395 1.390) 5.571 12.667 ( 0.000 11.394 28.084) 30.307 13.783 ( -0.000 27.761 -18.499) 33.360 16.963 ( 0.000 7.748 3.494) 8.500 ======================= Grid point 618 (235/580) ======================= q-point: (-0.11 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 1.538 -20.235 -9.482) 22.400 2.160 ( 6.718 -16.263 -5.661) 18.485 3.370 ( 6.118 -28.575 -1.082) 29.242 3.908 ( 9.701 -27.955 -0.459) 29.594 5.752 ( 2.648 -11.855 2.752) 12.455 6.088 ( 14.719 -59.947 -0.796) 61.733 7.762 ( 3.328 -13.655 -1.076) 14.096 10.222 ( -6.181 13.373 0.942) 14.763 10.595 ( 2.584 3.551 1.023) 4.509 12.855 ( 0.607 9.100 27.133) 28.624 13.946 ( -7.549 28.278 -18.643) 34.702 17.004 ( -3.733 5.598 4.418) 8.049 ======================= Grid point 636 (236/580) ======================= q-point: (-0.11 -0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -0.000 -23.967 -13.546) 27.530 1.877 ( -0.000 -20.961 -5.125) 21.578 3.000 ( 0.000 -33.256 -0.935) 33.269 3.559 ( 0.000 -25.043 -0.583) 25.050 5.295 ( 0.000 -64.066 1.258) 64.078 5.672 ( 0.000 -9.439 0.788) 9.471 7.610 ( 0.000 -11.085 -0.780) 11.112 10.405 ( -0.000 12.453 0.390) 12.459 10.623 ( 0.000 5.075 1.057) 5.183 13.002 ( 0.000 6.021 27.998) 28.638 14.250 ( -0.000 29.474 -16.262) 33.663 17.083 ( 0.000 2.356 3.142) 3.927 ======================= Grid point 695 (237/580) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 0.000 -0.000 30.547) 30.547 0.542 ( 0.000 -0.000 30.547) 30.547 1.180 ( 0.000 -0.000 67.214) 67.214 2.781 ( -0.000 0.000 -3.773) 3.773 2.781 ( -0.000 0.000 -3.773) 3.773 7.053 ( -0.000 0.000 -13.632) 13.632 7.322 ( 0.000 -0.000 1.449) 1.449 7.322 ( 0.000 -0.000 1.449) 1.449 10.796 ( -0.000 0.000 -1.035) 1.035 10.796 ( -0.000 0.000 -1.035) 1.035 15.360 ( 0.000 -0.000 1.389) 1.389 17.378 ( -0.000 0.000 -0.229) 0.229 ======================= Grid point 696 (238/580) ======================= q-point: ( 0.17 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 20.653 11.924 18.230) 30.018 1.118 ( 18.077 10.437 31.776) 38.018 1.715 ( 31.081 17.945 39.738) 53.546 2.842 ( 6.833 3.945 -4.358) 9.013 3.115 ( 29.998 17.319 -2.498) 34.729 5.676 ( -14.311 -8.262 10.733) 19.704 7.358 ( 2.682 1.549 1.699) 3.533 10.737 ( -2.974 -1.717 -3.220) 4.707 10.772 ( -1.818 -1.050 -1.082) 2.362 11.127 ( 109.605 63.280 -120.536) 174.775 15.349 ( -4.660 -2.691 5.738) 7.866 17.072 ( -16.030 -9.255 2.970) 18.747 ======================= Grid point 697 (239/580) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 21.917 12.654 9.836) 27.152 1.551 ( 14.052 8.113 30.222) 34.302 2.506 ( 28.765 16.607 16.417) 37.050 3.075 ( 14.928 8.619 -3.963) 17.687 4.085 ( 52.255 30.170 1.072) 60.349 5.557 ( -0.758 -0.438 -1.323) 1.587 7.455 ( 5.456 3.150 1.662) 6.516 10.586 ( -8.685 -5.014 -2.581) 10.355 10.711 ( -3.219 -1.858 -1.077) 3.870 12.301 ( 33.031 19.070 -63.887) 74.406 15.110 ( -19.067 -11.008 19.608) 29.482 16.830 ( -4.673 -2.698 -13.901) 14.912 ======================= Grid point 698 (240/580) ======================= q-point: ( 0.28 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 16.982 9.804 5.281) 20.308 1.957 ( 14.951 8.632 21.308) 27.423 3.128 ( 23.143 13.362 7.447) 27.742 3.495 ( 22.333 12.894 -2.584) 25.917 5.347 ( 54.706 31.584 0.518) 63.171 5.600 ( 6.477 3.739 -4.563) 8.761 7.620 ( 8.725 5.038 1.287) 10.157 10.338 ( -11.799 -6.812 -3.568) 14.083 10.626 ( -3.849 -2.222 -0.938) 4.542 12.612 ( 10.096 5.829 -35.666) 37.523 14.649 ( -26.118 -15.079 25.874) 39.737 16.710 ( -2.670 -1.542 -20.146) 20.381 ======================= Grid point 699 (241/580) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 12.376 7.145 2.401) 14.491 2.340 ( 13.658 7.885 14.642) 21.520 3.611 ( 18.390 10.618 0.962) 21.257 4.041 ( 25.101 14.492 -1.250) 29.011 5.754 ( 11.108 6.413 -6.748) 14.494 6.575 ( 48.432 27.962 1.344) 55.940 7.863 ( 12.446 7.185 0.618) 14.384 10.064 ( -9.987 -5.766 -4.055) 12.224 10.535 ( -3.808 -2.199 -0.579) 4.435 12.627 ( -0.304 -0.176 -24.164) 24.167 14.107 ( -27.474 -15.862 25.510) 40.708 16.563 ( -5.635 -3.254 -17.603) 18.767 ======================= Grid point 700 (242/580) ======================= q-point: ( 0.39 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 9.363 5.406 0.803) 10.841 2.643 ( 9.388 5.420 10.231) 14.906 3.992 ( 16.059 9.272 -4.304) 19.036 4.592 ( 22.749 13.134 -0.585) 26.275 6.032 ( 13.864 8.005 -4.306) 16.578 7.485 ( 29.433 16.993 -0.726) 33.994 8.189 ( 16.008 9.242 -0.256) 18.486 9.945 ( 2.452 1.416 -3.243) 4.306 10.450 ( -3.589 -2.072 0.050) 4.145 12.487 ( -6.044 -3.490 -18.600) 19.867 13.566 ( -25.489 -14.716 21.321) 36.344 16.352 ( -9.027 -5.212 -12.138) 15.999 ======================= Grid point 701 (243/580) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 7.042 4.066 -0.012) 8.132 2.824 ( 4.652 2.686 6.338) 8.308 4.333 ( 15.318 8.844 -6.782) 18.944 5.052 ( 17.505 10.107 -0.397) 20.217 6.306 ( 9.496 5.482 -1.332) 11.046 7.905 ( 10.708 6.182 -3.174) 12.765 8.581 ( 18.239 10.530 -1.221) 21.096 10.170 ( 15.094 8.714 -1.080) 17.462 10.368 ( -3.912 -2.258 0.915) 4.609 12.277 ( -7.196 -4.155 -13.223) 15.617 13.096 ( -19.497 -11.257 13.945) 26.483 16.091 ( -11.268 -6.506 -6.497) 14.543 ======================= Grid point 702 (244/580) ======================= q-point: ( 0.50 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 4.827 2.787 -0.394) 5.588 2.906 ( 1.744 1.007 2.579) 3.272 4.640 ( 13.025 7.520 -7.191) 16.670 5.381 ( 11.480 6.628 -0.383) 13.262 6.412 ( -0.261 -0.150 1.549) 1.578 8.122 ( 11.736 6.776 -4.808) 14.379 8.995 ( 18.087 10.442 -2.146) 20.995 10.269 ( -5.333 -3.079 1.883) 6.439 10.428 ( 3.917 2.262 1.705) 4.834 12.145 ( -0.728 -0.420 -7.804) 7.849 12.792 ( -8.993 -5.192 5.855) 11.921 15.815 ( -11.401 -6.583 -1.893) 13.300 ======================= Grid point 703 (245/580) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 2.533 1.462 -0.526) 2.971 2.929 ( 0.114 0.066 -0.719) 0.731 4.869 ( 8.622 4.978 -6.666) 11.981 5.575 ( 5.679 3.279 -0.353) 6.567 6.351 ( -4.175 -2.410 3.903) 6.202 8.420 ( 14.300 8.256 -5.892) 17.532 9.372 ( 15.074 8.703 -2.901) 17.646 10.129 ( -7.510 -4.336 2.775) 9.104 10.344 ( -9.410 -5.433 5.207) 12.049 12.159 ( 1.756 1.014 -4.693) 5.112 12.731 ( 1.616 0.933 0.580) 1.955 15.589 ( -7.580 -4.376 1.433) 8.869 ======================= Grid point 704 (246/580) ======================= q-point: (-0.39 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 0.152 0.088 -0.495) 0.525 2.910 ( -1.242 -0.717 -3.135) 3.448 4.984 ( 2.715 1.568 -5.129) 6.011 5.640 ( 0.154 0.089 -0.250) 0.307 6.301 ( -0.684 -0.395 4.899) 4.962 8.637 ( 3.801 2.195 -5.097) 6.726 9.614 ( 4.122 2.380 -2.515) 5.383 9.977 ( -3.965 -2.289 2.561) 5.246 10.193 ( -2.286 -1.320 6.501) 7.017 12.181 ( 1.593 0.920 -3.068) 3.577 12.755 ( -1.608 -0.928 -1.919) 2.670 15.519 ( 1.465 0.846 3.798) 4.158 ======================= Grid point 705 (247/580) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -2.390 -1.380 -4.213) 5.036 2.876 ( -2.265 -1.308 -0.343) 2.638 4.957 ( -4.092 -2.363 -2.521) 5.356 5.580 ( -5.401 -3.118 -0.092) 6.237 6.351 ( 3.383 1.953 3.939) 5.548 8.541 ( -9.711 -5.606 -0.181) 11.214 9.461 ( -14.124 -8.155 1.180) 16.352 10.047 ( 6.839 3.948 -0.964) 7.956 10.305 ( 8.472 4.892 3.403) 10.358 12.210 ( 0.876 0.506 -2.482) 2.680 12.638 ( -5.798 -3.347 -3.327) 7.476 15.679 ( 10.745 6.204 5.536) 13.587 ======================= Grid point 706 (248/580) ======================= q-point: (-0.28 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -3.613 -2.086 -3.842) 5.672 2.797 ( -4.674 -2.699 -0.073) 5.398 4.787 ( -10.336 -5.967 0.067) 11.935 5.391 ( -11.220 -6.478 0.113) 12.956 6.425 ( 0.892 0.515 2.168) 2.400 8.293 ( -11.102 -6.410 3.541) 13.299 9.081 ( -18.752 -10.827 1.970) 21.743 10.195 ( 6.141 3.545 -1.637) 7.277 10.433 ( -1.325 -0.765 1.932) 2.465 12.197 ( 1.969 1.137 -7.980) 8.297 12.604 ( 3.986 2.301 -0.280) 4.611 16.001 ( 15.125 8.732 6.681) 18.699 ======================= Grid point 707 (249/580) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -6.027 -3.480 -2.060) 7.258 2.663 ( -7.101 -4.100 0.354) 8.208 4.495 ( -15.413 -8.899 1.562) 17.866 5.069 ( -17.117 -9.882 0.415) 19.769 6.359 ( -7.291 -4.209 1.179) 8.501 8.043 ( -14.083 -8.131 3.595) 16.655 8.646 ( -19.466 -11.239 1.889) 22.557 10.236 ( -13.052 -7.536 2.275) 15.242 10.317 ( 5.028 2.903 -1.569) 6.014 12.369 ( 15.621 9.019 -17.961) 25.455 12.773 ( 9.466 5.465 7.433) 13.218 16.374 ( 15.333 8.852 6.863) 18.988 ======================= Grid point 708 (250/580) ======================= q-point: (-0.17 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -9.750 -5.629 1.075) 11.309 2.477 ( -10.449 -6.033 1.292) 12.135 4.098 ( -19.831 -11.449 1.590) 22.954 4.621 ( -22.078 -12.747 0.818) 25.506 6.130 ( -11.888 -6.863 0.554) 13.738 7.531 ( -33.434 -19.303 1.561) 38.638 8.226 ( -17.436 -10.067 1.505) 20.190 10.048 ( -1.483 -0.856 1.909) 2.565 10.421 ( 4.637 2.677 -1.365) 5.525 12.687 ( 15.522 8.962 -26.058) 31.627 13.104 ( 17.429 10.063 15.719) 25.537 16.717 ( 12.743 7.357 5.522) 15.716 ======================= Grid point 709 (251/580) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -16.148 -9.323 6.347) 19.697 2.220 ( -13.180 -7.610 2.440) 15.413 3.600 ( -24.174 -13.957 0.828) 27.926 4.089 ( -24.209 -13.977 1.064) 27.975 5.863 ( -10.946 -6.320 -0.826) 12.666 6.555 ( -50.477 -29.143 0.315) 58.287 7.873 ( -13.736 -7.930 1.061) 15.896 10.162 ( 9.328 5.386 0.744) 10.797 10.523 ( 4.617 2.665 -1.181) 5.460 12.900 ( 9.938 5.737 -24.098) 26.691 13.634 ( 24.074 13.899 14.794) 31.490 16.969 ( 8.024 4.632 2.202) 9.523 ======================= Grid point 714 (252/580) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.000 24.518 21.544) 32.638 1.196 ( 0.000 32.559 21.663) 39.107 1.774 ( 0.000 22.662 48.263) 53.319 2.847 ( -0.000 8.954 -4.416) 9.984 3.086 ( -0.000 33.866 -3.228) 34.020 5.699 ( 0.000 -19.585 9.914) 21.951 7.358 ( 0.000 2.930 1.666) 3.371 10.711 ( -0.000 45.065 -43.347) 62.529 10.764 ( -0.000 -2.399 -1.374) 2.765 10.797 ( -0.000 80.466 -68.271) 105.526 15.361 ( 0.000 -4.242 4.926) 6.501 17.100 ( 0.000 -17.311 1.824) 17.407 ======================= Grid point 715 (253/580) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 5.941 24.461 15.298) 29.456 1.608 ( 5.860 18.673 29.282) 35.220 2.333 ( 19.666 23.774 23.414) 38.732 3.000 ( 6.606 14.637 -4.211) 16.601 3.754 ( 29.435 47.006 0.112) 55.461 5.567 ( -2.025 -3.850 0.277) 4.359 7.427 ( 2.988 4.636 1.803) 5.803 10.637 ( -4.952 -7.333 -2.341) 9.153 10.718 ( -1.089 -2.989 -1.552) 3.539 11.804 ( 31.860 48.720 -74.828) 94.804 15.249 ( -7.219 -14.327 14.077) 21.344 16.879 ( -7.369 -5.916 -9.015) 13.060 ======================= Grid point 716 (254/580) ======================= q-point: ( 0.28 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 10.413 17.182 11.123) 22.964 1.964 ( 7.201 16.012 23.620) 29.430 2.934 ( 20.004 18.299 10.350) 29.020 3.345 ( 14.340 20.599 -2.884) 25.264 4.882 ( 43.601 47.577 1.335) 64.548 5.553 ( 2.027 2.959 -4.912) 6.083 7.562 ( 5.660 6.886 1.715) 9.077 10.421 ( -8.989 -10.120 -3.371) 13.949 10.658 ( -2.289 -2.299 -1.278) 3.487 12.336 ( 17.517 13.504 -43.831) 49.095 14.910 ( -16.917 -21.636 23.292) 36.011 16.714 ( -4.979 0.814 -19.031) 19.689 ======================= Grid point 717 (255/580) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 9.936 12.807 6.314) 17.395 2.301 ( 8.267 12.915 17.485) 23.256 3.428 ( 17.091 13.611 3.003) 22.054 3.856 ( 19.146 24.279 -1.353) 30.950 5.640 ( 8.076 7.870 -7.760) 13.689 6.126 ( 43.729 41.923 2.201) 60.618 7.770 ( 8.733 9.556 1.353) 13.016 10.131 ( -9.928 -11.891 -4.061) 16.014 10.594 ( -3.349 0.072 -1.100) 3.526 12.491 ( 6.589 -0.044 -28.034) 28.797 14.420 ( -22.107 -22.653 25.059) 40.371 16.579 ( -5.301 -0.482 -19.150) 19.876 ======================= Grid point 718 (256/580) ======================= q-point: ( 0.39 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 7.453 11.265 2.539) 13.744 2.590 ( 7.753 8.060 13.295) 17.373 3.813 ( 14.692 10.486 -2.957) 18.291 4.427 ( 18.759 24.566 -0.688) 30.917 5.886 ( 12.088 10.800 -5.287) 17.050 7.186 ( 33.578 32.577 0.473) 46.786 8.058 ( 12.013 12.252 0.751) 17.175 9.879 ( -2.899 -10.648 -3.811) 11.675 10.545 ( -4.252 4.066 -0.780) 5.934 12.436 ( -0.377 -6.067 -20.709) 21.583 13.879 ( -23.531 -20.844 21.985) 38.361 16.400 ( -7.287 -4.307 -14.152) 16.491 ======================= Grid point 719 (257/580) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 4.799 10.501 0.790) 11.573 2.789 ( 5.053 3.261 8.852) 10.702 4.144 ( 14.612 9.200 -6.312) 18.384 4.947 ( 14.479 22.714 -0.612) 26.943 6.198 ( 11.527 10.805 -2.003) 15.926 7.828 ( 11.862 18.208 -1.684) 21.797 8.421 ( 14.684 14.326 -0.001) 20.515 9.877 ( 13.814 -6.673 -2.071) 15.481 10.535 ( -4.772 10.666 -0.171) 11.686 12.268 ( -3.802 -8.288 -15.864) 18.297 13.355 ( -21.393 -17.188 16.031) 31.782 16.167 ( -8.963 -7.934 -8.132) 14.471 ======================= Grid point 720 (258/580) ======================= q-point: ( 0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 2.357 9.671 0.012) 9.954 2.886 ( 2.395 0.348 4.271) 4.909 4.456 ( 14.226 7.533 -7.154) 17.616 5.356 ( 8.468 20.576 -0.598) 22.258 6.420 ( 3.120 6.507 0.916) 7.274 8.058 ( 4.304 11.215 -3.489) 12.509 8.825 ( 15.495 14.580 -0.872) 21.294 10.068 ( 13.313 -10.078 0.034) 16.698 10.606 ( -4.198 16.974 1.100) 17.520 12.096 ( -1.162 -7.094 -10.684) 12.877 12.937 ( -14.323 -11.038 8.487) 19.976 15.901 ( -9.376 -10.181 -2.981) 14.158 ======================= Grid point 721 (259/580) ======================= q-point: ( 0.56 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( -0.029 7.941 -0.668) 7.969 2.916 ( 0.826 -0.273 0.624) 1.071 4.721 ( 11.609 4.687 -7.027) 14.357 5.641 ( 1.893 19.745 -0.475) 19.842 6.431 ( -5.522 0.939 3.375) 6.540 8.285 ( 10.424 11.996 -4.847) 16.614 9.211 ( 14.051 11.941 -1.731) 18.521 10.091 ( 2.386 -10.502 1.772) 10.915 10.613 ( -13.614 10.314 3.692) 17.474 12.064 ( 5.655 -4.002 -6.518) 9.512 12.730 ( -3.013 -3.283 2.066) 4.912 15.649 ( -7.293 -10.015 0.745) 12.411 ======================= Grid point 722 (260/580) ======================= q-point: ( 0.61 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( -0.413 -1.528 -2.794) 3.211 2.960 ( -2.342 7.208 -0.302) 7.585 4.893 ( 7.139 1.187 -6.314) 9.604 5.806 ( -5.907 20.311 -0.442) 21.157 6.338 ( -4.214 -1.896 5.149) 6.918 8.559 ( 8.636 8.750 -6.061) 13.707 9.500 ( 9.611 4.764 -1.784) 10.874 10.006 ( -1.977 -6.489 3.036) 7.431 10.432 ( -16.328 9.008 5.987) 19.586 12.105 ( 4.884 -3.796 -4.454) 7.623 12.730 ( 2.002 -1.233 -1.243) 2.659 15.496 ( -0.619 -6.349 3.242) 7.155 ======================= Grid point 723 (261/580) ======================= q-point: (-0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -1.397 -2.186 -4.114) 4.864 2.963 ( -4.794 5.880 -0.417) 7.598 4.944 ( 1.330 -2.523 -4.646) 5.452 5.817 ( -14.239 16.596 -0.199) 21.868 6.330 ( 2.424 0.818 5.031) 5.644 8.629 ( -4.346 -0.227 -3.809) 5.784 9.572 ( -3.932 -3.559 0.286) 5.311 9.952 ( 2.277 -2.340 1.362) 3.538 10.393 ( -3.797 16.364 4.980) 17.522 12.137 ( 4.557 -4.064 -3.411) 6.994 12.678 ( -4.086 -4.832 -2.727) 6.890 15.548 ( 9.401 -0.551 4.877) 10.605 ======================= Grid point 724 (262/580) ======================= q-point: (-0.28 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( -2.245 -2.556 -3.849) 5.137 2.909 ( -7.180 4.193 -0.353) 8.322 4.860 ( -5.181 -5.759 -2.286) 8.076 5.662 ( -18.432 9.517 0.141) 20.745 6.422 ( 2.400 3.627 3.191) 5.394 8.451 ( -11.265 -3.064 0.927) 11.711 9.313 ( -17.528 -7.192 1.621) 19.016 10.038 ( 7.927 -3.719 -0.213) 8.759 10.560 ( -1.169 16.868 2.108) 17.039 12.129 ( 1.699 -6.348 -5.545) 8.599 12.569 ( -0.149 -1.554 -1.732) 2.332 15.808 ( 16.401 3.378 5.781) 17.715 ======================= Grid point 725 (263/580) ======================= q-point: (-0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -3.675 -2.918 -2.209) 5.187 2.798 ( -9.432 2.086 -0.021) 9.660 4.645 ( -11.357 -7.944 -0.264) 13.862 5.381 ( -22.362 3.920 0.216) 22.704 6.439 ( -4.514 -0.158 1.561) 4.779 8.241 ( -12.458 -0.405 2.993) 12.818 8.904 ( -21.037 -8.132 1.801) 22.626 10.075 ( 4.290 -12.421 0.079) 13.141 10.592 ( -12.108 12.363 0.963) 17.331 12.150 ( 10.642 1.330 -13.747) 17.436 12.664 ( 9.135 2.161 4.167) 10.270 16.170 ( 18.439 4.589 5.744) 19.850 ======================= Grid point 726 (264/580) ======================= q-point: (-0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -6.990 -3.806 0.712) 7.991 2.628 ( -11.470 -0.200 0.708) 11.494 4.318 ( -16.991 -9.172 0.666) 19.320 4.976 ( -26.770 -0.763 0.428) 26.785 6.274 ( -11.352 -4.700 0.564) 12.299 7.932 ( -26.081 -4.810 2.035) 26.599 8.470 ( -20.658 -7.638 1.666) 22.088 9.964 ( 2.106 -14.015 0.916) 14.202 10.521 ( -7.745 11.239 -0.437) 13.656 12.413 ( 17.678 7.830 -22.619) 29.757 12.929 ( 15.810 4.027 12.777) 20.722 16.535 ( 16.905 4.009 4.296) 17.898 ======================= Grid point 727 (265/580) ======================= q-point: (-0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -13.639 -6.114 4.449) 15.595 2.421 ( -12.584 -1.556 2.594) 12.943 3.890 ( -22.421 -9.649 0.681) 24.419 4.465 ( -29.734 -4.301 0.698) 30.052 6.007 ( -12.811 -5.346 -0.807) 13.905 7.193 ( -48.231 -14.787 0.753) 50.452 8.075 ( -17.672 -6.077 1.349) 18.736 9.995 ( 11.350 -3.456 0.235) 11.867 10.537 ( -1.476 7.290 -0.947) 7.498 12.690 ( 13.447 7.037 -25.792) 29.926 13.369 ( 23.846 6.791 17.307) 30.237 16.831 ( 12.761 2.180 0.978) 12.983 ======================= Grid point 733 (266/580) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 21.696 13.951) 25.794 1.848 ( 0.000 20.336 27.306) 34.047 2.490 ( 0.000 28.000 19.737) 34.257 3.096 ( -0.000 18.937 -3.777) 19.310 4.039 ( -0.000 59.863 0.859) 59.869 5.548 ( -0.000 -1.721 -1.705) 2.422 7.461 ( 0.000 6.636 1.777) 6.870 10.587 ( -0.000 -9.411 -2.712) 9.794 10.689 ( -0.000 -4.203 -1.581) 4.491 11.831 ( -0.000 44.047 -62.459) 76.429 15.184 ( 0.000 -20.166 16.026) 25.758 16.860 ( -0.000 -3.798 -12.554) 13.116 ======================= Grid point 734 (267/580) ======================= q-point: ( 0.28 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 3.204 18.140 11.096) 21.504 2.128 ( 2.085 17.081 24.869) 30.242 2.905 ( 10.599 24.435 10.187) 28.516 3.369 ( 8.221 24.412 -2.573) 25.887 4.853 ( 22.055 60.245 1.426) 64.171 5.551 ( 0.834 4.370 -4.868) 6.594 7.569 ( 3.135 8.858 1.824) 9.572 10.427 ( -5.549 -11.858 -3.293) 13.500 10.642 ( 0.116 -3.728 -1.522) 4.029 12.113 ( 10.980 18.905 -43.362) 48.561 14.941 ( -7.490 -26.476 20.971) 34.596 16.761 ( -4.457 1.392 -17.989) 18.585 ======================= Grid point 735 (268/580) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 5.934 14.984 8.319) 18.137 2.395 ( 3.410 13.868 19.491) 24.163 3.339 ( 12.214 18.606 2.997) 22.458 3.830 ( 14.824 28.692 -1.154) 32.316 5.590 ( 6.169 11.697 -7.510) 15.208 5.958 ( 30.435 51.898 2.222) 60.206 7.754 ( 6.070 11.658 1.856) 13.274 10.156 ( -9.431 -13.995 -4.017) 17.348 10.616 ( 0.179 -0.969 -1.406) 1.717 12.277 ( 8.426 1.769 -29.269) 30.508 14.546 ( -13.900 -28.205 22.863) 38.878 16.631 ( -6.380 1.322 -18.692) 19.795 ======================= Grid point 736 (269/580) ======================= q-point: ( 0.39 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 6.516 13.747 5.170) 16.068 2.622 ( 3.733 9.188 15.109) 18.073 3.696 ( 11.292 13.602 -2.896) 17.914 4.398 ( 16.926 30.070 -0.702) 34.514 5.810 ( 9.042 13.651 -5.344) 17.223 7.007 ( 31.750 45.018 1.058) 55.098 8.018 ( 8.926 14.665 1.729) 17.255 9.836 ( -8.512 -14.962 -4.198) 17.719 10.626 ( -0.178 4.082 -1.427) 4.328 12.276 ( 3.611 -7.120 -21.302) 22.749 14.064 ( -17.834 -26.440 20.949) 38.158 16.452 ( -8.099 -2.820 -15.020) 17.296 ======================= Grid point 737 (270/580) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 4.869 13.591 2.663) 14.681 2.783 ( 2.921 4.104 10.907) 12.014 3.994 ( 11.691 10.599 -6.337) 17.005 4.961 ( 14.497 28.813 -1.077) 32.272 6.128 ( 11.238 15.879 -1.517) 19.512 7.834 ( 16.965 32.349 -0.502) 36.532 8.355 ( 11.634 17.022 1.384) 20.664 9.617 ( 3.068 -13.242 -3.310) 13.990 10.690 ( -0.414 11.073 -1.286) 11.155 12.157 ( -0.086 -10.783 -16.523) 19.731 13.556 ( -18.998 -22.745 16.498) 33.919 16.213 ( -9.238 -7.974 -9.719) 15.601 ======================= Grid point 738 (271/580) ======================= q-point: ( 0.50 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 2.277 1.821 5.031) 5.815 2.886 ( 1.377 12.304 2.270) 12.587 4.277 ( 12.845 7.995 -7.017) 16.678 5.439 ( 9.876 26.104 -1.216) 27.936 6.448 ( 6.474 15.266 1.514) 16.651 8.180 ( -1.957 18.684 -2.397) 18.939 8.746 ( 12.806 17.913 0.943) 22.040 9.696 ( 17.401 -9.774 -1.549) 20.018 10.826 ( -0.529 17.932 -0.373) 17.943 11.989 ( -1.014 -11.265 -12.287) 16.700 13.091 ( -15.995 -16.986 10.497) 25.584 15.933 ( -9.137 -12.197 -4.683) 15.943 ======================= Grid point 739 (272/580) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 0.895 -1.692 1.660) 2.533 3.028 ( -1.185 13.794 0.421) 13.852 4.539 ( 12.361 4.655 -6.681) 14.802 5.808 ( 5.340 23.245 -0.526) 23.856 6.603 ( -5.815 12.526 2.957) 14.123 8.302 ( 1.165 15.289 -3.244) 15.673 9.126 ( 11.486 15.390 0.134) 19.204 9.868 ( 12.196 -9.817 -0.113) 15.656 10.957 ( -8.091 17.596 1.944) 19.464 11.875 ( 4.742 -9.787 -8.154) 13.592 12.776 ( -7.575 -8.626 4.042) 12.171 15.650 ( -7.195 -14.117 -0.743) 15.863 ======================= Grid point 740 (273/580) ======================= q-point: ( 0.61 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 0.110 -2.295 -1.752) 2.890 3.117 ( -3.947 12.877 0.094) 13.468 4.739 ( 9.700 0.998 -6.248) 11.581 6.086 ( 2.285 20.475 0.874) 20.621 6.536 ( -15.562 11.699 3.191) 19.729 8.516 ( 6.558 13.496 -4.451) 15.651 9.414 ( 7.584 8.544 -0.228) 11.427 9.921 ( 4.904 -7.567 1.719) 9.180 10.877 ( -18.581 14.746 4.382) 24.123 11.901 ( 9.557 -9.176 -5.566) 14.371 12.683 ( 0.737 -2.210 -0.405) 2.364 15.433 ( -2.068 -12.464 1.988) 12.790 ======================= Grid point 741 (274/580) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -0.722 -2.477 -3.600) 4.429 3.147 ( -6.553 11.424 -0.077) 13.170 4.845 ( 5.404 -2.433 -5.459) 8.057 6.302 ( 3.687 9.195 3.698) 10.575 6.365 ( -22.035 21.177 1.129) 30.582 8.675 ( 0.121 5.943 -5.020) 7.781 9.557 ( 3.347 2.605 1.355) 4.452 9.910 ( 0.434 -5.806 1.812) 6.098 10.754 ( -14.473 19.774 4.883) 24.987 11.949 ( 8.456 -9.649 -4.309) 13.534 12.667 ( -0.868 -3.873 -2.291) 4.583 15.380 ( 7.065 -7.308 3.688) 10.813 ======================= Grid point 742 (275/580) ======================= q-point: (-0.28 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -1.468 -2.381 -3.645) 4.594 3.116 ( -9.055 9.413 -0.181) 13.063 4.840 ( -0.056 -5.234 -4.033) 6.607 6.139 ( -19.523 8.694 1.866) 21.452 6.484 ( -2.365 17.567 2.290) 17.873 8.608 ( -8.504 0.703 -1.960) 8.755 9.521 ( -11.069 -2.498 2.041) 11.529 9.886 ( 4.735 -5.136 0.577) 7.009 10.820 ( -5.636 23.156 3.142) 24.038 11.965 ( 6.033 -10.792 -4.234) 13.068 12.563 ( -3.122 -4.955 -2.580) 6.400 15.549 ( 16.041 -2.197 4.432) 16.786 ======================= Grid point 743 (276/580) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -2.284 -2.158 -2.157) 3.811 3.021 ( -11.383 6.813 -0.078) 13.266 4.718 ( -6.053 -6.888 -2.397) 9.478 5.861 ( -23.496 8.156 0.513) 24.877 6.556 ( -6.181 8.581 2.158) 10.793 8.462 ( -10.098 4.452 0.869) 11.070 9.200 ( -20.215 -5.290 1.844) 20.977 9.894 ( 3.183 -11.435 0.217) 11.871 10.935 ( -9.652 18.924 1.689) 21.310 11.941 ( 7.202 -6.838 -9.069) 13.448 12.543 ( 5.949 -1.510 1.130) 6.240 15.873 ( 20.479 0.256 4.133) 20.893 ======================= Grid point 744 (277/580) ======================= q-point: (-0.17 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -4.041 -2.092 0.452) 4.572 2.862 ( -13.378 3.833 0.421) 13.923 4.487 ( -12.058 -7.224 -1.334) 14.120 5.487 ( -28.406 5.456 -0.055) 28.926 6.442 ( -11.908 -0.262 1.461) 12.000 8.320 ( -17.188 7.029 1.204) 18.609 8.782 ( -22.410 -5.299 1.773) 23.096 9.769 ( 1.529 -17.679 0.089) 17.745 10.846 ( -15.950 11.653 0.574) 19.762 12.114 ( 17.484 4.309 -16.592) 24.486 12.725 ( 13.882 0.174 8.554) 16.307 16.245 ( 20.610 0.585 2.533) 20.774 ======================= Grid point 745 (278/580) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -8.501 -2.562 3.936) 9.712 2.650 ( -14.255 1.242 1.432) 14.381 4.159 ( -17.935 -6.428 -1.018) 19.079 4.997 ( -32.743 1.642 0.087) 32.785 6.192 ( -14.275 -3.415 -0.098) 14.678 7.876 ( -39.859 -1.755 0.608) 39.902 8.362 ( -21.172 -4.306 1.585) 21.664 9.731 ( 11.518 -9.125 -0.686) 14.711 10.709 ( -10.145 7.370 -0.500) 12.550 12.431 ( 17.068 7.572 -22.574) 29.296 13.069 ( 21.344 1.381 16.539) 27.038 16.580 ( 17.568 -0.428 -0.684) 17.587 ======================= Grid point 752 (279/580) ======================= q-point: ( 0.28 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 0.000 14.983 7.458) 16.736 2.342 ( 0.000 14.372 24.805) 28.668 3.103 ( 0.000 26.594 6.384) 27.350 3.541 ( -0.000 27.047 -1.956) 27.118 5.286 ( -0.000 58.793 0.539) 58.796 5.599 ( -0.000 13.467 -4.781) 14.291 7.644 ( -0.000 11.052 1.642) 11.174 10.350 ( -0.000 -12.222 -3.371) 12.679 10.586 ( -0.000 -5.113 -1.527) 5.336 12.073 ( -0.000 12.458 -35.356) 37.486 14.783 ( 0.000 -30.112 20.675) 36.526 16.766 ( -0.000 2.100 -18.324) 18.444 ======================= Grid point 753 (280/580) ======================= q-point: ( 0.33 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 3.706 12.875 5.560) 14.506 2.545 ( 0.925 11.092 21.245) 23.984 3.410 ( 4.619 23.072 1.133) 23.557 3.900 ( 9.678 29.217 -1.066) 30.796 5.622 ( 2.498 13.518 -6.954) 15.405 6.125 ( 14.872 58.819 1.845) 60.698 7.801 ( 3.570 13.597 1.600) 14.148 10.154 ( -7.072 -12.868 -3.780) 15.162 10.561 ( 2.871 -3.447 -1.371) 4.691 12.100 ( 4.429 1.354 -26.252) 26.658 14.482 ( -6.161 -31.393 20.330) 37.906 16.692 ( -4.629 1.198 -17.444) 18.087 ======================= Grid point 754 (281/580) ======================= q-point: ( 0.39 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 6.448 12.357 4.502) 14.648 2.709 ( 1.325 6.959 16.760) 18.195 3.697 ( 5.561 17.924 -4.021) 19.193 4.415 ( 15.703 30.108 -0.787) 33.966 5.816 ( 5.915 16.310 -5.038) 18.066 7.013 ( 23.034 50.896 1.077) 55.876 8.044 ( 6.806 16.501 1.763) 17.937 9.852 ( -11.074 -13.352 -4.112) 17.828 10.611 ( 4.659 1.575 -1.482) 5.136 12.076 ( 3.810 -7.151 -19.430) 21.052 14.086 ( -10.875 -30.132 18.510) 36.998 16.529 ( -8.351 -2.367 -14.539) 16.933 ======================= Grid point 755 (282/580) ======================= q-point: ( 0.44 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 6.535 11.927 4.172) 14.226 2.823 ( 1.465 3.692 11.482) 12.150 3.935 ( 6.444 13.568 -7.119) 16.622 4.985 ( 16.110 29.036 -1.452) 33.238 6.120 ( 9.756 19.379 -0.933) 21.716 7.860 ( 21.743 39.355 0.012) 44.962 8.361 ( 9.029 18.750 1.794) 20.888 9.524 ( -9.168 -13.195 -3.892) 16.532 10.744 ( 5.345 8.985 -1.874) 10.621 11.980 ( 1.880 -11.523 -14.807) 18.857 13.638 ( -13.831 -26.995 15.241) 33.946 16.279 ( -10.738 -7.437 -10.507) 16.764 ======================= Grid point 756 (283/580) ======================= q-point: ( 0.50 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 1.001 -0.387 7.336) 7.414 2.987 ( 4.379 13.996 2.450) 14.868 4.155 ( 8.502 9.551 -7.392) 14.770 5.499 ( 12.528 25.421 -1.896) 28.403 6.501 ( 9.798 21.518 2.593) 23.785 8.430 ( 2.420 28.067 -1.541) 28.213 8.727 ( 11.740 18.950 1.681) 22.355 9.343 ( 6.927 -11.906 -2.667) 14.030 10.956 ( 5.068 16.314 -2.052) 17.206 11.842 ( 0.487 -12.239 -11.071) 16.510 13.189 ( -14.038 -22.138 11.013) 28.433 15.965 ( -11.204 -12.430 -6.379) 17.909 ======================= Grid point 757 (284/580) ======================= q-point: ( 0.56 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 0.382 -2.477 3.144) 4.021 3.187 ( 0.928 15.572 1.270) 15.651 4.369 ( 10.228 5.091 -6.413) 13.102 5.894 ( 8.305 19.115 -0.815) 20.857 6.845 ( 1.777 23.889 3.490) 24.208 8.539 ( -9.549 19.098 -2.505) 21.499 9.111 ( 10.266 17.489 1.399) 20.328 9.495 ( 18.914 -9.271 -1.340) 21.106 11.196 ( 2.168 18.238 -1.304) 18.413 11.705 ( -0.017 -10.391 -7.170) 12.624 12.822 ( -9.188 -14.795 5.966) 18.410 15.632 ( -9.292 -15.896 -2.776) 18.621 ======================= Grid point 758 (285/580) ======================= q-point: ( 0.61 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 0.161 -2.872 -0.377) 2.901 3.327 ( -3.101 15.785 0.724) 16.103 4.557 ( 10.132 0.720 -5.641) 11.618 6.154 ( 5.131 10.223 1.585) 11.547 7.025 ( -11.940 29.080 2.021) 31.501 8.606 ( -1.735 16.495 -2.623) 16.792 9.403 ( 5.881 11.909 0.768) 13.304 9.690 ( 13.503 -7.968 0.146) 15.679 11.316 ( -9.540 16.125 1.530) 18.798 11.619 ( 5.426 -10.873 -4.641) 13.008 12.650 ( -0.649 -5.612 0.794) 5.705 15.344 ( -4.437 -16.344 0.043) 16.935 ======================= Grid point 759 (286/580) ======================= q-point: ( 0.67 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -0.218 -2.637 -2.529) 3.660 3.395 ( -6.733 14.809 0.457) 16.274 4.687 ( 8.001 -2.783 -5.175) 9.926 6.283 ( 2.607 1.068 3.972) 4.870 7.059 ( -20.863 35.880 0.186) 41.505 8.736 ( 0.047 10.512 -3.575) 11.103 9.556 ( 2.307 6.574 1.676) 7.166 9.798 ( 6.519 -6.560 1.176) 9.323 11.241 ( -16.352 17.750 3.440) 24.378 11.643 ( 10.991 -12.574 -3.608) 17.086 12.629 ( 0.738 -2.853 -2.176) 3.663 15.192 ( 3.992 -12.770 1.960) 13.522 ======================= Grid point 760 (287/580) ======================= q-point: (-0.28 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -0.763 -2.072 -2.980) 3.709 3.390 ( -9.852 12.627 0.257) 16.017 4.740 ( 4.206 -5.033 -4.567) 7.993 6.292 ( -1.611 -3.111 4.322) 5.563 7.039 ( -22.830 35.522 -0.161) 42.226 8.748 ( -5.785 4.762 -2.925) 8.044 9.645 ( -1.682 4.782 2.790) 5.786 9.773 ( 0.894 -9.025 0.472) 9.081 11.201 ( -10.112 19.762 2.510) 22.340 11.699 ( 9.441 -10.553 -2.388) 14.360 12.555 ( -3.214 -6.066 -3.108) 7.536 15.255 ( 13.858 -7.176 2.761) 15.848 ======================= Grid point 761 (288/580) ======================= q-point: (-0.22 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -1.354 -1.349 -1.833) 2.648 3.309 ( -12.482 9.366 0.174) 15.606 4.704 ( -0.784 -5.819 -3.751) 6.967 6.189 ( -9.201 -1.300 2.355) 9.586 6.957 ( -21.938 23.609 1.135) 32.248 8.676 ( -7.692 8.205 -1.066) 11.297 9.479 ( -16.012 -3.389 1.775) 16.462 9.739 ( 2.225 -10.539 0.464) 10.781 11.291 ( -5.676 21.302 1.289) 22.083 11.717 ( 5.233 -9.308 -4.059) 11.424 12.445 ( 1.090 -6.121 -1.285) 6.348 15.513 ( 20.546 -3.356 2.339) 20.949 ======================= Grid point 762 (289/580) ======================= q-point: (-0.17 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -2.285 -0.695 0.444) 2.429 3.151 ( -14.514 5.508 0.425) 15.529 4.577 ( -6.471 -5.176 -3.196) 8.881 5.956 ( -19.199 1.883 0.013) 19.291 6.748 ( -20.876 7.691 2.475) 22.385 8.657 ( -9.368 15.107 -0.429) 17.781 9.122 ( -21.223 -3.829 1.519) 21.619 9.583 ( -1.735 -19.485 -0.133) 19.563 11.273 ( -19.042 12.509 1.400) 22.827 11.806 ( 16.455 -0.046 -10.756) 19.659 12.516 ( 11.192 -2.635 4.806) 12.462 15.869 ( 22.739 -1.991 0.721) 22.837 ======================= Grid point 763 (290/580) ======================= q-point: (-0.11 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -4.399 -0.259 3.348) 5.534 2.930 ( -15.729 1.945 1.098) 15.887 4.363 ( -12.411 -3.516 -3.186) 13.288 5.560 ( -29.157 1.830 -0.868) 29.227 6.445 ( -18.274 -0.478 1.822) 18.371 8.493 ( -28.147 7.776 -0.334) 29.203 8.710 ( -22.764 -3.163 1.500) 23.032 9.443 ( 8.691 -12.008 -1.383) 14.887 11.013 ( -18.174 4.327 -0.407) 18.687 12.131 ( 19.441 6.834 -15.972) 26.072 12.774 ( 17.889 -1.287 12.846) 22.061 16.228 ( 21.270 -2.225 -2.155) 21.494 ======================= Grid point 771 (291/580) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 0.000 10.631 3.062) 11.063 2.691 ( 0.000 7.422 19.911) 21.249 3.607 ( -0.000 23.042 -2.054) 23.133 4.094 ( -0.000 28.710 -0.846) 28.722 5.722 ( -0.000 15.251 -6.667) 16.644 6.590 ( -0.000 57.793 1.476) 57.812 7.916 ( -0.000 15.598 1.005) 15.630 10.104 ( -0.000 -9.294 -3.660) 9.989 10.477 ( 0.000 -5.021 -1.014) 5.122 11.992 ( -0.000 -2.626 -20.814) 20.979 14.272 ( 0.000 -32.385 18.020) 37.061 16.691 ( -0.000 -0.441 -15.638) 15.644 ======================= Grid point 772 (292/580) ======================= q-point: ( 0.39 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 5.098 9.776 2.139) 11.231 2.799 ( 0.123 3.494 16.527) 16.893 3.821 ( 1.042 19.948 -5.625) 20.752 4.466 ( 10.697 27.875 -0.737) 29.866 5.893 ( 3.210 17.803 -4.947) 18.754 7.221 ( 10.892 48.254 0.569) 49.472 8.120 ( 4.337 17.893 0.787) 18.428 9.926 ( -10.092 -6.292 -3.641) 12.438 10.501 ( 7.161 -1.630 -0.898) 7.399 11.907 ( 1.571 -7.353 -15.427) 17.162 13.962 ( -4.793 -31.513 15.526) 35.456 16.584 ( -5.485 -3.501 -13.105) 14.632 ======================= Grid point 773 (293/580) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 8.445 9.859 2.130) 13.155 2.861 ( 0.349 0.140 12.293) 12.299 3.999 ( 1.326 16.187 -7.818) 18.025 4.975 ( 16.463 26.717 -1.275) 31.408 6.161 ( 7.758 19.416 -1.408) 20.956 7.876 ( 17.597 33.392 -0.680) 37.751 8.417 ( 7.698 20.208 1.003) 21.648 9.645 ( -15.201 -3.327 -3.436) 15.936 10.674 ( 10.650 6.092 -1.386) 12.347 11.804 ( 1.103 -10.481 -11.128) 15.326 13.589 ( -8.300 -29.038 12.682) 32.756 16.359 ( -10.233 -7.575 -10.146) 16.280 ======================= Grid point 774 (294/580) ======================= q-point: ( 0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 0.130 -1.533 7.447) 7.605 2.997 ( 9.349 10.291 2.586) 14.142 4.147 ( 2.446 12.127 -7.682) 14.563 5.502 ( 15.065 24.109 -1.926) 28.494 6.531 ( 12.199 20.541 2.229) 23.994 8.453 ( 20.409 17.777 -1.705) 27.120 8.765 ( 7.861 21.038 1.094) 22.486 9.353 ( -15.285 0.887 -2.853) 15.574 10.961 ( 11.012 14.113 -2.419) 18.063 11.681 ( 0.838 -11.353 -7.537) 13.653 13.193 ( -10.166 -25.010 9.718) 28.693 16.036 ( -13.066 -11.836 -7.194) 19.041 ======================= Grid point 775 (295/580) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -0.278 -3.387 4.037) 5.277 3.269 ( 7.427 12.999 1.746) 15.073 4.280 ( 4.393 7.093 -6.265) 10.433 5.919 ( 9.431 17.928 -1.183) 20.292 6.976 ( 12.494 23.547 3.593) 26.898 8.882 ( 7.233 14.180 -2.293) 16.083 9.029 ( 4.505 8.530 -0.488) 9.659 9.231 ( 2.310 8.593 -0.349) 8.905 11.247 ( 5.390 10.914 -5.120) 13.205 11.610 ( 3.729 -3.201 -2.497) 5.512 12.827 ( -8.975 -19.306 6.708) 22.322 15.656 ( -13.044 -15.334 -4.485) 20.625 ======================= Grid point 776 (296/580) ======================= q-point: ( 0.61 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -0.099 -3.395 0.912) 3.517 3.500 ( 2.412 15.104 1.349) 15.355 4.399 ( 6.587 1.323 -5.005) 8.378 6.167 ( 4.375 9.049 0.785) 10.081 7.402 ( 4.623 29.276 2.541) 29.748 8.895 ( -12.264 17.521 -2.127) 21.492 9.308 ( 20.764 -5.636 -0.341) 21.518 9.448 ( 5.161 12.798 0.459) 13.807 11.276 ( 3.180 -9.906 -6.046) 12.033 11.734 ( -2.184 16.178 1.921) 16.437 12.588 ( -1.565 -11.282 2.766) 11.721 15.288 ( -9.360 -16.961 -2.074) 19.483 ======================= Grid point 777 (297/580) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -0.003 -2.700 -1.189) 2.951 3.647 ( -3.731 15.883 1.125) 16.355 4.500 ( 8.011 -3.469 -4.411) 9.780 6.268 ( 1.467 1.548 2.522) 3.303 7.694 ( -9.009 35.453 0.901) 36.591 8.881 ( -5.865 11.375 -2.097) 12.969 9.558 ( 13.675 -5.528 0.480) 14.758 9.618 ( 1.883 10.479 1.182) 10.712 11.213 ( 8.167 -18.018 -4.992) 20.403 11.774 ( -12.528 18.293 4.711) 22.666 12.558 ( 3.751 -3.687 -1.630) 5.506 15.025 ( -1.334 -15.324 -0.065) 15.382 ======================= Grid point 778 (298/580) ======================= q-point: (-0.28 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -0.174 -1.670 -1.959) 2.580 3.688 ( -9.021 13.908 0.924) 16.603 4.576 ( 7.300 -5.467 -4.147) 10.019 6.283 ( 0.093 -2.216 3.265) 3.947 7.786 ( -21.330 34.966 0.163) 40.959 8.882 ( -3.908 6.530 -2.037) 7.878 9.626 ( 3.896 -8.349 -0.031) 9.214 9.755 ( -0.388 9.322 2.728) 9.720 11.179 ( 11.345 -18.695 -4.580) 22.342 11.776 ( -10.004 20.137 5.607) 23.174 12.534 ( -1.948 -5.371 -3.573) 6.738 14.968 ( 9.512 -10.322 1.011) 14.072 ======================= Grid point 779 (299/580) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -0.553 -0.537 -1.316) 1.525 3.620 ( -12.588 9.437 0.692) 15.748 4.612 ( 4.016 -4.645 -3.915) 7.282 6.252 ( -1.882 -2.861 2.791) 4.417 7.650 ( -28.414 23.382 0.693) 36.804 8.882 ( -5.133 11.579 -1.544) 12.759 9.549 ( -0.202 -13.922 -0.124) 13.924 9.747 ( -9.096 2.847 2.046) 9.748 11.244 ( 14.709 -9.012 -4.355) 17.792 11.841 ( -9.470 19.502 4.912) 22.229 12.378 ( -3.671 -10.296 -3.050) 11.349 15.138 ( 18.213 -5.388 0.671) 19.005 ======================= Grid point 780 (300/580) ======================= q-point: (-0.17 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -1.128 0.470 0.441) 1.300 3.454 ( -14.693 4.226 0.667) 15.303 4.593 ( -1.107 -2.375 -3.928) 4.722 6.166 ( -6.856 -1.663 1.209) 7.157 7.298 ( -30.596 8.546 1.992) 31.830 8.943 ( -5.010 19.090 -1.379) 19.784 9.340 ( -7.524 -14.872 -0.328) 16.671 9.525 ( -13.514 -7.294 0.909) 15.384 11.477 ( 18.172 0.689 -5.663) 19.047 11.737 ( -20.767 7.964 1.027) 22.265 12.328 ( 7.934 -3.870 2.652) 9.217 15.452 ( 22.485 -2.937 -0.804) 22.690 ======================= Grid point 781 (301/580) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -2.181 1.211 2.809) 3.756 3.215 ( -15.719 -0.019 0.953) 15.748 4.500 ( -7.087 0.094 -4.401) 8.343 5.962 ( -16.922 -0.598 -0.891) 16.956 6.837 ( -26.810 -0.678 3.012) 26.987 8.959 ( -17.928 -0.146 -1.422) 17.984 9.032 ( -14.674 -0.397 0.198) 14.681 9.262 ( -2.024 -1.943 -0.951) 2.962 11.378 ( -21.753 -1.751 -1.400) 21.868 11.822 ( 19.400 5.796 -8.099) 21.806 12.523 ( 13.610 0.068 8.560) 16.078 15.814 ( 22.919 -2.502 -3.112) 23.265 ======================= Grid point 790 (302/580) ======================= q-point: ( 0.39 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -0.000 8.187 0.788) 8.225 2.862 ( 0.000 0.184 14.028) 14.029 3.991 ( -0.000 18.818 -7.340) 20.199 4.628 ( -0.000 25.213 -0.578) 25.219 6.029 ( -0.000 18.095 -4.250) 18.587 7.562 ( -0.000 37.693 -0.672) 37.699 8.263 ( -0.000 19.080 -0.272) 19.082 10.019 ( -0.000 4.998 -3.305) 5.992 10.382 ( 0.000 -4.249 0.062) 4.249 11.784 ( -0.000 -7.693 -10.722) 13.196 13.732 ( 0.000 -31.026 12.516) 33.455 16.552 ( -0.000 -5.828 -11.133) 12.566 ======================= Grid point 791 (303/580) ======================= q-point: ( 0.44 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 6.381 7.607 0.501) 9.941 2.884 ( -0.271 -2.454 10.777) 11.057 4.136 ( -0.626 16.227 -8.221) 18.201 4.968 ( 11.723 23.117 -0.753) 25.930 6.229 ( 4.431 17.002 -2.127) 17.698 7.928 ( 8.016 22.516 -2.390) 24.020 8.503 ( 5.350 20.315 -0.592) 21.016 9.929 ( -15.308 8.191 -2.242) 17.506 10.509 ( 13.560 3.843 -0.244) 14.096 11.683 ( -0.414 -7.387 -6.648) 9.947 13.434 ( -3.617 -28.933 9.690) 30.726 16.397 ( -6.302 -8.767 -8.984) 14.046 ======================= Grid point 792 (304/580) ======================= q-point: ( 0.50 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 1.510 -0.938 5.163) 5.460 2.909 ( 9.153 4.690 3.031) 10.723 4.244 ( -0.942 13.155 -7.411) 15.128 5.448 ( 17.226 22.032 -1.287) 27.996 6.507 ( 10.499 14.305 0.641) 17.756 8.259 ( 13.912 8.586 -3.525) 16.724 8.828 ( 8.585 20.509 -0.249) 22.234 9.718 ( -18.171 10.103 -1.789) 20.868 10.850 ( 16.157 12.218 -0.979) 20.280 11.579 ( -2.038 -6.777 -3.620) 7.949 13.107 ( -6.033 -25.070 7.323) 26.805 16.117 ( -11.716 -11.663 -6.946) 17.931 ======================= Grid point 793 (305/580) ======================= q-point: ( 0.56 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -0.659 -4.200 4.199) 5.976 3.196 ( 13.191 8.350 1.206) 15.658 4.321 ( -0.927 9.405 -5.521) 10.945 5.916 ( 12.275 18.895 -1.332) 22.571 6.893 ( 18.841 13.294 2.317) 23.175 8.563 ( 18.182 0.129 -2.976) 18.424 9.168 ( 7.500 18.737 0.067) 20.182 9.519 ( -17.050 12.766 -1.930) 21.387 11.244 ( 10.110 14.845 -3.983) 18.397 11.479 ( 2.649 -6.173 0.404) 6.729 12.791 ( -7.071 -19.242 5.648) 21.263 15.742 ( -14.871 -13.846 -5.118) 20.953 ======================= Grid point 794 (306/580) ======================= q-point: ( 0.61 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -0.397 -3.747 1.851) 4.198 3.508 ( 11.838 10.022 1.169) 15.555 4.363 ( -0.657 4.443 -3.822) 5.898 6.194 ( 3.839 10.492 -0.209) 11.174 7.418 ( 22.239 18.461 1.997) 28.972 8.871 ( 20.000 -3.335 -1.242) 20.314 9.319 ( -13.375 15.489 -0.509) 20.471 9.498 ( 3.845 13.511 -1.515) 14.129 11.213 ( -7.576 -5.561 -3.587) 10.059 11.769 ( 16.156 12.243 0.387) 20.275 12.535 ( -5.707 -12.311 4.452) 14.281 15.330 ( -14.587 -14.704 -3.404) 20.990 ======================= Grid point 795 (307/580) ======================= q-point: ( 0.67 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -0.023 -2.648 0.129) 2.652 3.787 ( 6.566 12.809 1.305) 14.453 4.367 ( 1.141 -1.984 -3.089) 3.844 6.283 ( -0.192 2.784 0.873) 2.924 7.969 ( 14.482 25.651 1.264) 29.484 9.067 ( 1.174 -2.439 -1.856) 3.282 9.313 ( 3.878 8.975 1.394) 9.876 9.695 ( 4.102 12.467 -1.053) 13.167 10.988 ( -5.194 -14.624 -2.769) 15.764 12.080 ( 1.100 14.870 1.595) 14.996 12.420 ( 3.854 -6.554 1.333) 7.719 14.967 ( -9.515 -13.558 -1.683) 16.648 ======================= Grid point 796 (308/580) ======================= q-point: ( 0.72 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 0.200 -1.256 -0.761) 1.482 3.956 ( -4.333 14.329 1.730) 15.069 4.372 ( 6.991 -7.121 -3.327) 10.519 6.279 ( -0.967 -1.139 1.510) 2.125 8.360 ( -4.127 29.927 0.868) 30.223 8.977 ( -3.803 -1.320 -1.518) 4.303 9.457 ( 5.692 -4.860 0.386) 7.494 9.907 ( 1.348 18.679 1.447) 18.783 10.773 ( 5.364 -23.263 -3.324) 24.103 12.132 ( -8.049 13.299 4.752) 16.255 12.478 ( 3.406 -2.948 -3.040) 5.434 14.769 ( 1.021 -9.653 -0.319) 9.712 ======================= Grid point 797 (309/580) ======================= q-point: (-0.22 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 0.145 0.168 -0.650) 0.687 3.916 ( -12.030 6.779 1.306) 13.870 4.456 ( 8.632 -2.848 -3.154) 9.621 6.251 ( -0.715 -2.203 1.700) 2.873 8.319 ( -25.810 15.049 0.971) 29.892 9.020 ( 3.839 9.202 -1.505) 10.084 9.412 ( -0.891 -11.000 0.469) 11.046 9.969 ( -11.344 6.968 1.089) 13.357 10.813 ( 21.060 -11.128 -2.970) 24.004 12.165 ( -3.992 11.833 4.886) 13.410 12.378 ( -8.690 -5.946 -3.362) 11.054 14.818 ( 12.361 -4.464 -0.330) 13.147 ======================= Grid point 798 (310/580) ======================= q-point: (-0.17 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( -0.188 1.378 0.400) 1.447 3.724 ( -13.836 -0.453 0.866) 13.871 4.554 ( 3.806 1.810 -3.283) 5.342 6.218 ( -1.727 -1.707 1.347) 2.777 7.889 ( -31.370 -0.327 1.431) 31.404 9.186 ( 1.810 10.373 -2.247) 10.767 9.237 ( -6.260 -8.810 1.294) 10.885 9.748 ( -14.222 -3.195 -0.702) 14.593 11.149 ( 20.484 3.858 -2.523) 20.996 12.069 ( -12.953 -14.027 -2.761) 19.291 12.264 ( -1.531 13.123 5.335) 14.248 15.065 ( 19.061 -1.357 -1.593) 19.176 ======================= Grid point 799 (311/580) ======================= q-point: (-0.11 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -0.813 2.198 2.070) 3.127 3.457 ( -14.468 -4.483 0.783) 15.167 4.589 ( -2.279 4.388 -4.089) 6.417 6.146 ( -6.578 -0.816 0.215) 6.632 7.303 ( -30.502 -9.280 2.193) 31.957 8.957 ( -6.983 -19.293 -0.821) 20.534 9.336 ( -6.291 17.122 -0.724) 18.256 9.466 ( -13.550 1.770 -1.632) 13.762 11.523 ( 15.212 7.912 -5.350) 17.962 11.671 ( -13.980 -14.055 0.338) 19.827 12.410 ( 4.707 7.335 6.030) 10.598 15.401 ( 21.617 -0.713 -3.294) 21.878 ======================= Grid point 809 (312/580) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -0.000 6.276 -0.121) 6.277 2.881 ( 0.000 -4.163 8.344) 9.325 4.272 ( -0.000 14.461 -8.062) 16.556 5.066 ( -0.000 19.232 -0.494) 19.238 6.338 ( -0.000 13.804 -1.655) 13.903 8.024 ( -0.000 12.515 -4.352) 13.251 8.650 ( -0.000 20.225 -1.810) 20.306 10.283 ( -0.000 20.428 -1.845) 20.511 10.310 ( 0.000 -3.559 1.427) 3.834 11.628 ( -0.000 -2.386 -2.818) 3.692 13.210 ( 0.000 -26.928 6.963) 27.814 16.334 ( -0.000 -10.530 -7.530) 12.945 ======================= Grid point 810 (313/580) ======================= q-point: ( 0.50 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 7.008 5.377 -0.054) 8.833 2.854 ( 0.013 -4.672 6.061) 7.653 4.371 ( -1.210 12.084 -6.707) 13.874 5.363 ( 13.702 17.262 -0.641) 22.048 6.489 ( 4.663 9.061 -0.312) 10.195 8.151 ( 5.908 6.110 -5.251) 9.990 8.894 ( 5.900 19.675 -1.980) 20.635 10.089 ( -15.167 5.131 0.235) 16.014 10.675 ( 16.122 11.001 0.114) 19.519 11.603 ( -3.242 2.813 -0.670) 4.344 12.958 ( -2.455 -22.626 4.977) 23.296 16.144 ( -6.827 -12.080 -6.130) 15.169 ======================= Grid point 811 (314/580) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( -0.633 -4.567 3.886) 6.030 3.031 ( 13.089 5.177 0.491) 14.085 4.433 ( -2.152 9.490 -4.380) 10.671 5.832 ( 19.008 17.723 -1.064) 26.010 6.683 ( 12.445 2.575 0.851) 12.737 8.327 ( 10.863 3.670 -4.113) 12.182 9.203 ( 8.385 17.545 -1.703) 19.520 9.890 ( -14.620 6.311 -0.301) 15.927 11.063 ( 19.564 6.271 0.088) 20.545 11.545 ( -8.493 4.870 -0.025) 9.790 12.726 ( -3.904 -15.408 3.992) 16.388 15.837 ( -12.533 -12.629 -4.882) 18.450 ======================= Grid point 812 (315/580) ======================= q-point: ( 0.61 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -0.540 -3.733 2.421) 4.481 3.335 ( 15.935 5.195 0.505) 16.768 4.455 ( -3.559 6.410 -2.124) 7.634 6.228 ( 6.635 13.199 -1.140) 14.817 7.055 ( 29.811 2.532 1.029) 29.936 8.570 ( 14.457 2.867 -1.553) 14.820 9.482 ( 6.457 12.829 -1.821) 14.478 9.718 ( -13.232 7.724 -0.683) 15.336 11.391 ( -13.978 2.476 -0.158) 14.196 11.475 ( 23.799 2.186 -0.478) 23.904 12.552 ( -4.966 -6.681 3.830) 9.163 15.457 ( -15.844 -11.601 -3.664) 19.976 ======================= Grid point 813 (316/580) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -0.164 -2.404 1.212) 2.698 3.666 ( 16.261 5.296 0.294) 17.104 4.420 ( -5.548 2.857 -0.566) 6.266 6.334 ( -1.592 4.081 -0.715) 4.439 7.702 ( 35.539 9.303 0.531) 36.740 8.836 ( 13.720 -0.178 0.176) 13.722 9.561 ( -11.287 8.470 0.320) 14.115 9.698 ( 5.737 8.125 -2.720) 10.312 11.113 ( -18.086 -3.212 0.399) 18.373 11.903 ( 23.717 1.370 -2.191) 23.857 12.441 ( -5.525 -0.418 4.091) 6.887 15.072 ( -15.566 -8.804 -2.249) 18.024 ======================= Grid point 814 (317/580) ======================= q-point: ( 0.72 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 0.307 -0.885 0.349) 0.999 3.987 ( 14.839 5.269 -0.151) 15.748 4.316 ( -7.887 -0.608 0.338) 7.918 6.306 ( -2.729 -0.235 -0.372) 2.764 8.369 ( 28.209 12.151 0.206) 30.716 8.959 ( 1.410 -4.645 -0.160) 4.857 9.457 ( -6.730 2.777 0.384) 7.291 9.941 ( 13.436 11.220 -1.121) 17.540 10.722 ( -20.075 -9.279 0.444) 22.120 12.244 ( 12.103 1.874 -3.422) 12.716 12.381 ( -1.428 0.352 4.010) 4.271 14.774 ( -9.987 -4.350 -0.687) 10.915 ======================= Grid point 815 (318/580) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 0.646 0.603 0.002) 0.884 4.139 ( -8.203 -6.669 -0.007) 10.572 4.271 ( 10.118 8.185 0.005) 13.014 6.256 ( -1.756 -1.416 0.001) 2.256 8.775 ( -13.167 -10.402 0.005) 16.780 8.860 ( 14.175 11.295 0.002) 18.125 9.396 ( -1.444 -0.840 0.020) 1.670 10.276 ( -14.479 -17.353 -0.637) 22.609 10.372 ( 17.230 19.455 0.632) 25.996 12.240 ( -4.476 -5.418 -0.086) 7.028 12.464 ( 2.233 3.343 0.064) 4.021 14.675 ( 0.948 0.776 -0.000) 1.225 ======================= Grid point 816 (319/580) ======================= q-point: (-0.17 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 0.673 1.848 0.283) 1.987 3.900 ( -10.820 -8.348 0.419) 13.672 4.495 ( 6.942 7.500 -1.142) 10.283 6.223 ( -0.672 -1.133 0.368) 1.368 8.313 ( -24.881 -15.873 0.698) 29.522 9.047 ( 4.057 -6.383 -0.464) 7.578 9.419 ( -1.206 11.290 0.857) 11.386 9.900 ( -11.411 -11.219 -1.818) 16.105 10.887 ( 19.754 17.392 0.155) 26.320 12.026 ( -7.296 -17.098 -1.598) 18.658 12.496 ( -4.315 8.307 2.403) 9.664 14.806 ( 10.833 3.735 -0.922) 11.496 ======================= Grid point 817 (320/580) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 0.322 2.666 1.112) 2.907 3.615 ( -11.930 -9.854 0.448) 15.480 4.643 ( 1.903 7.872 -2.433) 8.456 6.204 ( -1.471 -0.296 0.503) 1.582 7.655 ( -28.055 -23.502 0.949) 36.611 8.925 ( -6.342 -10.631 0.257) 12.382 9.548 ( -0.364 14.904 -0.147) 14.909 9.645 ( -9.241 -5.181 -2.537) 10.894 11.357 ( 15.269 16.089 -0.279) 22.183 11.674 ( -9.182 -22.510 -1.659) 24.367 12.520 ( -3.392 8.417 3.585) 9.757 15.076 ( 16.147 3.674 -2.311) 16.720 ======================= Grid point 828 (321/580) ======================= q-point: ( 0.50 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -0.000 4.385 -0.201) 4.390 2.822 ( 0.000 -5.036 4.718) 6.901 4.474 ( -0.000 10.114 -5.210) 11.376 5.378 ( -0.000 12.628 -0.330) 12.632 6.523 ( -0.000 5.294 -0.365) 5.307 8.141 ( -0.000 5.258 -5.615) 7.693 9.022 ( -0.000 18.404 -2.641) 18.593 10.251 ( 0.000 -3.798 2.251) 4.415 10.618 ( -0.000 10.775 -0.315) 10.780 11.704 ( -0.000 9.825 0.493) 9.837 12.790 ( 0.000 -17.146 3.461) 17.492 16.066 ( -0.000 -12.300 -5.217) 13.361 ======================= Grid point 829 (322/580) ======================= q-point: ( 0.56 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -0.386 -4.314 3.546) 5.598 2.887 ( 8.074 3.430 0.175) 8.774 4.541 ( -1.330 8.085 -2.800) 8.659 5.641 ( 17.142 11.185 -0.422) 20.473 6.574 ( 2.612 0.377 -0.353) 2.663 8.224 ( 5.291 5.450 -3.876) 8.528 9.238 ( 5.605 15.969 -2.386) 17.092 10.126 ( -9.215 -0.917 1.315) 9.353 10.809 ( 12.809 1.527 -0.158) 12.900 11.755 ( -5.926 8.785 0.707) 10.620 12.659 ( -1.420 -8.340 2.903) 8.944 15.874 ( -6.925 -11.294 -4.373) 13.951 ======================= Grid point 830 (323/580) ======================= q-point: ( 0.61 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -0.493 -3.257 2.763) 4.299 3.111 ( 14.072 2.679 0.271) 14.327 4.570 ( -2.894 5.912 -0.338) 6.591 6.137 ( 22.930 13.783 -1.091) 26.776 6.634 ( 10.862 -6.685 -0.178) 12.755 8.403 ( 9.857 5.360 -0.926) 11.259 9.477 ( 6.441 10.935 -2.348) 12.906 9.967 ( -9.974 1.884 0.451) 10.161 11.075 ( 20.182 -3.112 -1.595) 20.483 11.668 ( -12.144 4.508 1.650) 13.058 12.588 ( -2.885 -1.332 2.680) 4.157 15.595 ( -12.542 -8.371 -3.478) 15.475 ======================= Grid point 831 (324/580) ======================= q-point: ( 0.67 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -0.311 -1.928 1.966) 2.771 3.404 ( 17.224 1.584 0.029) 17.297 4.551 ( -5.135 3.587 1.483) 6.437 6.405 ( -1.589 5.130 -2.123) 5.775 7.055 ( 41.429 -1.329 0.393) 41.452 8.639 ( 11.826 3.108 1.094) 12.276 9.642 ( 4.811 5.412 -2.636) 7.706 9.821 ( -9.995 2.318 0.279) 10.264 11.401 ( 4.561 -3.984 -5.301) 8.048 11.485 ( 3.518 3.378 5.003) 6.987 12.531 ( -4.094 -0.192 2.523) 4.813 15.280 ( -15.858 -3.665 -2.267) 16.433 ======================= Grid point 832 (325/580) ======================= q-point: (-0.28 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 0.169 -0.565 1.136) 1.280 3.711 ( 17.621 -0.689 -0.670) 17.647 4.476 ( -7.413 2.248 2.756) 8.222 6.358 ( -3.870 -0.498 -1.997) 4.383 7.790 ( 41.734 -0.599 -0.072) 41.738 8.843 ( 9.418 0.145 0.846) 9.457 9.635 ( -10.639 -0.742 -0.534) 10.678 9.800 ( 8.343 2.793 -0.677) 8.824 11.091 ( -22.741 0.415 1.991) 22.831 11.891 ( 25.145 0.986 -2.815) 25.321 12.449 ( -4.810 -3.000 2.333) 6.130 14.991 ( -15.700 1.959 -0.618) 15.834 ======================= Grid point 833 (326/580) ======================= q-point: (-0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 0.801 0.698 0.419) 1.142 3.944 ( 12.266 -7.453 -1.809) 14.466 4.393 ( -5.660 5.683 3.762) 8.860 6.281 ( -2.930 -1.471 -1.606) 3.651 8.339 ( 26.655 -14.265 -1.260) 30.258 8.993 ( 4.783 7.232 1.507) 8.801 9.426 ( -7.836 -5.448 -1.042) 9.600 9.974 ( 10.800 -8.170 0.425) 13.549 10.764 ( -18.474 12.851 2.455) 22.638 12.244 ( 6.418 1.295 -4.159) 7.757 12.329 ( 4.402 -8.182 2.293) 9.570 14.807 ( -10.506 7.410 0.887) 12.887 ======================= Grid point 834 (327/580) ======================= q-point: (-0.17 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 1.305 1.743 0.010) 2.178 3.906 ( -2.443 -13.587 -0.851) 13.831 4.481 ( 4.481 9.331 2.129) 10.568 6.229 ( -1.266 -0.977 -0.912) 1.841 8.321 ( -2.021 -29.458 -1.008) 29.545 9.040 ( -6.394 0.878 1.248) 6.573 9.428 ( 9.621 4.439 -1.054) 10.648 9.887 ( -3.701 -16.267 1.015) 16.714 10.882 ( 6.156 25.604 1.377) 26.369 12.020 ( -10.999 -15.185 -0.328) 18.753 12.513 ( 8.213 1.350 -1.333) 8.429 14.797 ( -1.610 10.677 1.033) 10.847 ======================= Grid point 835 (328/580) ======================= q-point: (-0.11 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 1.412 2.445 0.000) 2.823 3.669 ( -7.978 -13.819 0.000) 15.957 4.662 ( 4.901 8.488 0.000) 9.801 6.213 ( -0.045 -0.079 -0.000) 0.091 7.782 ( -20.127 -34.860 -0.000) 40.253 8.935 ( -3.111 -5.389 0.000) 6.222 9.636 ( 5.108 8.847 0.000) 10.215 9.678 ( -5.003 -8.666 -0.000) 10.006 11.312 ( 13.021 22.552 -0.000) 26.041 11.623 ( -12.895 -22.334 -0.000) 25.790 12.609 ( 1.625 2.814 -0.000) 3.249 14.946 ( 5.917 10.248 -0.000) 11.834 ======================= Grid point 848 (329/580) ======================= q-point: ( 0.56 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 0.000 -3.573 3.426) 4.950 2.843 ( -0.000 2.370 0.145) 2.375 4.618 ( -0.000 6.335 -0.579) 6.361 5.562 ( -0.000 6.270 -0.061) 6.270 6.559 ( -0.000 -0.238 -1.289) 1.311 8.228 ( -0.000 5.974 -1.529) 6.167 9.328 ( -0.000 13.410 -1.671) 13.514 10.177 ( 0.000 -4.792 1.439) 5.003 10.699 ( -0.000 -0.314 -2.657) 2.676 11.878 ( 0.000 4.420 1.733) 4.748 12.639 ( 0.000 -0.212 2.332) 2.342 15.822 ( -0.000 -8.669 -3.877) 9.496 ======================= Grid point 849 (330/580) ======================= q-point: ( 0.61 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -0.338 -2.423 3.013) 3.881 2.935 ( 8.263 1.275 0.384) 8.369 4.662 ( -1.483 4.521 1.786) 5.082 5.795 ( 21.002 4.364 -0.013) 21.451 6.541 ( -0.664 -1.868 -2.106) 2.892 8.329 ( 5.053 5.325 1.670) 7.529 9.477 ( 4.113 8.585 -0.818) 9.555 10.089 ( -4.811 -2.886 0.029) 5.611 10.763 ( 10.603 -3.412 -5.060) 12.234 11.864 ( -5.819 2.306 3.550) 7.196 12.640 ( -2.036 1.379 1.768) 3.029 15.689 ( -6.668 -4.104 -3.308) 8.500 ======================= Grid point 850 (331/580) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -0.388 -1.301 2.367) 2.729 3.138 ( 14.153 -0.079 0.267) 14.155 4.662 ( -3.467 2.387 3.478) 5.460 6.336 ( 36.821 2.540 0.043) 36.908 6.484 ( -2.301 -2.894 -2.742) 4.603 8.498 ( 8.535 2.540 3.486) 9.563 9.603 ( 4.240 2.807 -0.900) 5.165 9.966 ( -7.033 -2.042 -0.905) 7.380 10.982 ( 20.503 -2.427 -6.154) 21.544 11.751 ( -11.829 2.511 5.386) 13.238 12.594 ( -3.593 -1.772 1.293) 4.209 15.506 ( -12.098 1.704 -2.393) 12.449 ======================= Grid point 851 (332/580) ======================= q-point: (-0.28 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -0.092 -0.325 1.461) 1.500 3.397 ( 16.776 -2.212 -0.267) 16.924 4.611 ( -5.401 0.593 4.417) 7.002 6.394 ( -2.644 -4.448 -2.787) 5.877 7.041 ( 42.174 -0.497 -0.277) 42.177 8.672 ( 9.839 -1.080 2.547) 10.220 9.690 ( 5.536 -0.946 -0.430) 5.633 9.792 ( -9.706 -3.883 -0.891) 10.492 11.299 ( 11.217 -1.393 -4.741) 12.257 11.600 ( -2.482 3.671 5.018) 6.695 12.498 ( -4.583 -4.182 0.908) 6.270 15.307 ( -15.386 7.312 -0.936) 17.060 ======================= Grid point 852 (333/580) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 0.590 0.489 0.440) 0.884 3.636 ( 15.048 -6.242 -1.053) 16.325 4.532 ( -5.274 0.847 4.868) 7.227 6.300 ( -2.338 -3.902 -2.463) 5.173 7.667 ( 34.922 -11.735 -1.160) 36.859 8.858 ( 13.022 1.365 1.175) 13.146 9.548 ( -12.026 -7.544 -0.134) 14.197 9.763 ( 6.381 -7.087 0.232) 9.539 11.175 ( -15.676 7.168 3.513) 17.591 11.905 ( 23.621 -0.289 -2.390) 23.743 12.351 ( -7.543 -5.236 -0.040) 9.182 15.136 ( -15.196 11.972 0.854) 19.364 ======================= Grid point 853 (334/580) ======================= q-point: (-0.17 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 1.464 1.146 -0.472) 1.918 3.733 ( 6.391 -12.373 -1.249) 13.982 4.520 ( 0.487 4.051 4.334) 5.953 6.232 ( -1.062 -2.673 -1.681) 3.331 7.903 ( 15.147 -27.098 -1.894) 31.101 9.163 ( 6.397 5.906 2.813) 9.150 9.250 ( -2.122 -9.356 -1.656) 9.736 9.740 ( 3.336 -14.094 1.048) 14.521 11.122 ( -5.444 19.253 3.530) 20.317 12.051 ( -5.896 -17.583 1.321) 18.592 12.309 ( 11.862 5.370 -4.948) 13.929 15.048 ( -10.922 15.217 2.166) 18.856 ======================= Grid point 867 (335/580) ======================= q-point: (-0.39 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 0.000 -1.494 3.048) 3.394 2.871 ( 0.000 0.178 0.543) 0.571 4.720 ( 0.000 2.867 3.980) 4.905 5.626 ( 0.000 0.180 0.219) 0.283 6.533 ( -0.000 -0.506 -3.098) 3.139 8.343 ( 0.000 3.898 4.778) 6.166 9.502 ( 0.000 2.999 1.507) 3.356 10.092 ( -0.000 -2.815 -1.549) 3.213 10.624 ( -0.000 -2.677 -8.456) 8.869 11.946 ( 0.000 2.304 5.239) 5.724 12.667 ( 0.000 -1.533 1.114) 1.895 15.723 ( -0.000 1.533 -3.122) 3.478 ======================= Grid point 868 (336/580) ======================= q-point: (-0.33 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -0.361 -0.728 2.411) 2.545 2.940 ( 8.060 -1.130 0.606) 8.161 4.736 ( -1.891 0.625 5.413) 5.768 5.803 ( 21.432 -3.744 0.414) 21.760 6.511 ( -1.067 0.889 -3.701) 3.953 8.420 ( 4.072 0.659 6.061) 7.332 9.532 ( 3.490 -4.485 1.970) 6.015 10.037 ( -4.213 -0.486 -2.602) 4.975 10.675 ( 11.259 -0.075 -8.628) 14.185 11.938 ( -5.765 1.597 6.402) 8.762 12.615 ( -2.122 -4.703 0.505) 5.184 15.703 ( -6.447 7.325 -2.633) 10.107 ======================= Grid point 869 (337/580) ======================= q-point: (-0.28 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -0.320 -0.263 1.313) 1.377 3.110 ( 13.405 -3.006 0.231) 13.740 4.698 ( -3.710 -1.842 5.858) 7.174 6.162 ( 22.697 -13.556 0.055) 26.437 6.569 ( 10.708 6.325 -3.442) 12.904 8.518 ( 6.870 -2.917 4.381) 8.655 9.540 ( 5.490 -10.550 0.663) 11.912 9.918 ( -8.219 -0.420 -1.723) 8.408 10.951 ( 20.560 3.030 -6.188) 21.684 11.806 ( -11.125 -2.151 7.024) 13.331 12.531 ( -3.257 -2.445 -0.179) 4.076 15.635 ( -11.815 11.863 -1.583) 16.817 ======================= Grid point 870 (338/580) ======================= q-point: (-0.22 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 0.199 -0.012 0.040) 0.204 3.314 ( 14.879 -5.989 -0.458) 16.046 4.617 ( -4.204 -3.214 5.742) 7.809 6.225 ( 4.364 -10.899 -1.498) 11.836 6.988 ( 30.641 -5.498 -2.180) 31.207 8.648 ( 11.320 -1.611 2.076) 11.621 9.502 ( 4.707 -15.494 -0.779) 16.212 9.739 ( -10.203 -4.041 0.376) 10.981 11.322 ( 15.140 5.236 -2.177) 16.167 11.628 ( -3.505 -4.473 5.791) 8.113 12.448 ( -6.146 1.656 -1.449) 6.528 15.534 ( -14.865 15.012 0.060) 21.126 ======================= Grid point 871 (339/580) ======================= q-point: (-0.17 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 1.187 0.177 -1.146) 1.660 3.462 ( 11.121 -10.578 -1.007) 15.382 4.552 ( -1.188 -2.147 5.270) 5.813 6.177 ( 2.024 -7.716 -1.152) 8.060 7.319 ( 22.496 -21.617 -2.729) 31.318 8.930 ( 19.064 5.103 1.655) 19.805 9.336 ( -9.934 -14.035 0.430) 17.200 9.530 ( 0.638 -15.591 -0.176) 15.605 11.423 ( -7.807 14.462 6.707) 17.751 11.744 ( 16.973 -14.676 -0.718) 22.449 12.359 ( -6.536 7.383 -4.356) 10.780 15.440 ( -14.515 17.280 1.925) 22.649 ======================= Grid point 886 (340/580) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 0.000 -0.420 2.008) 2.052 2.855 ( 0.000 -2.209 0.688) 2.313 4.766 ( 0.000 -1.791 6.594) 6.833 5.571 ( 0.000 -6.021 0.354) 6.031 6.514 ( -0.000 0.521 -3.729) 3.765 8.398 ( 0.000 -2.528 6.593) 7.061 9.420 ( 0.000 -12.321 2.884) 12.654 10.091 ( -0.000 3.997 -2.828) 4.896 10.552 ( -0.000 1.149 -8.786) 8.860 12.008 ( 0.000 -2.410 7.273) 7.661 12.587 ( 0.000 -3.237 -0.347) 3.256 15.848 ( -0.000 12.076 -2.660) 12.365 ======================= Grid point 887 (341/580) ======================= q-point: (-0.28 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( -0.415 -0.509 0.823) 1.053 2.896 ( 7.525 -3.727 0.550) 8.415 4.733 ( -2.121 -4.878 6.495) 8.395 5.658 ( 17.748 -10.995 0.415) 20.882 6.518 ( 1.656 0.936 -3.348) 3.851 8.402 ( 3.458 -5.525 4.409) 7.869 9.317 ( 4.056 -17.081 1.328) 17.606 10.059 ( -7.231 3.027 -1.725) 8.027 10.671 ( 13.533 2.569 -5.778) 14.938 11.924 ( -5.709 -7.931 8.448) 12.918 12.576 ( -1.637 4.368 -1.567) 4.921 15.921 ( -6.390 15.123 -2.150) 16.557 ======================= Grid point 888 (342/580) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -0.165 -0.865 -0.630) 1.083 3.021 ( 11.975 -6.096 -0.029) 13.438 4.644 ( -2.961 -7.355 5.754) 9.796 5.862 ( 19.360 -16.974 0.351) 25.750 6.604 ( 10.422 -1.775 -3.087) 11.014 8.454 ( 8.555 -4.761 1.858) 9.965 9.224 ( 6.156 -19.739 -0.757) 20.690 9.895 ( -11.839 -3.435 0.076) 12.327 10.977 ( 20.889 -0.504 -3.076) 21.120 11.764 ( -8.164 -2.652 10.315) 13.419 12.587 ( -4.678 9.180 -3.439) 10.862 15.919 ( -11.501 16.778 -0.915) 20.362 ======================= Grid point 889 (343/580) ======================= q-point: (-0.17 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 0.740 -1.223 -1.913) 2.388 3.156 ( 12.185 -9.611 -0.729) 15.537 4.541 ( -1.344 -7.868 5.035) 9.437 5.954 ( 11.416 -16.460 0.487) 20.037 6.774 ( 17.144 -14.090 -3.391) 22.449 8.650 ( 17.319 -0.407 1.285) 17.372 9.135 ( 6.982 -20.230 -1.528) 21.455 9.579 ( -16.020 -11.549 0.867) 19.768 11.284 ( 20.064 -11.401 -1.258) 23.111 11.708 ( -6.666 12.419 11.440) 18.154 12.565 ( -7.959 11.274 -6.228) 15.141 15.868 ( -14.016 17.848 0.991) 22.715 ======================= Grid point 905 (344/580) ======================= q-point: (-0.28 -0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 0.000 -1.176 0.031) 1.177 2.790 ( 0.000 -4.778 0.413) 4.796 4.705 ( 0.000 -8.572 5.874) 10.392 5.390 ( 0.000 -12.619 0.244) 12.622 6.489 ( -0.000 -2.170 -2.205) 3.094 8.313 ( 0.000 -8.315 2.350) 8.641 9.098 ( 0.000 -20.245 0.871) 20.264 10.183 ( -0.000 5.747 -0.853) 5.810 10.517 ( -0.000 -4.172 -4.228) 5.939 11.914 ( 0.000 -7.247 10.905) 13.094 12.665 ( -0.000 11.443 -3.455) 11.953 16.128 ( -0.000 16.781 -2.268) 16.933 ======================= Grid point 906 (345/580) ======================= q-point: (-0.22 -0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -0.335 -2.244 -1.381) 2.656 2.797 ( 6.663 -6.548 0.062) 9.342 4.603 ( -1.465 -11.871 4.523) 12.788 5.381 ( 14.481 -17.250 0.222) 22.524 6.467 ( 2.547 -5.582 -1.474) 6.310 8.267 ( 5.301 -9.766 0.224) 11.115 8.925 ( 3.958 -21.776 -0.542) 22.140 10.077 ( -12.808 -2.236 -0.200) 13.003 10.619 ( 16.401 -6.160 -2.036) 17.637 11.894 ( -3.185 3.194 14.223) 14.921 12.759 ( -2.923 14.606 -5.994) 16.056 16.237 ( -6.170 17.239 -1.660) 18.384 ======================= Grid point 907 (346/580) ======================= q-point: (-0.17 -0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 0.347 -3.310 -2.654) 4.257 2.867 ( 10.114 -9.321 -0.644) 13.769 4.466 ( -0.602 -13.442 3.492) 13.901 5.485 ( 18.705 -21.862 0.487) 28.776 6.456 ( 6.251 -11.090 -1.737) 12.848 8.326 ( 14.114 -11.330 -0.162) 18.100 8.797 ( 6.705 -21.996 -1.702) 23.059 9.767 ( -16.337 -7.694 0.557) 18.067 10.851 ( 18.048 -8.739 -0.597) 20.061 11.968 ( -3.677 14.527 16.556) 22.331 12.804 ( -6.870 15.439 -9.296) 19.286 16.257 ( -10.676 17.241 -0.145) 20.279 ======================= Grid point 924 (347/580) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -0.000 -4.303 -2.311) 4.885 2.669 ( 0.000 -7.558 -0.299) 7.563 4.486 ( 0.000 -16.112 2.649) 16.329 5.074 ( 0.000 -19.424 -0.112) 19.424 6.370 ( 0.000 -9.518 -0.125) 9.519 8.087 ( 0.000 -16.559 -1.277) 16.608 8.671 ( 0.000 -22.240 -0.833) 22.256 10.273 ( 0.000 -15.760 -1.860) 15.870 10.295 ( -0.000 5.525 0.755) 5.576 12.036 ( 0.000 10.947 18.470) 21.470 12.925 ( -0.000 17.526 -8.984) 19.695 16.453 ( -0.000 16.714 -1.849) 16.816 ======================= Grid point 925 (348/580) ======================= q-point: (-0.17 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 0.200 -6.481 -3.491) 7.364 2.635 ( 5.591 -9.604 -0.871) 11.147 4.316 ( 0.250 -18.722 1.266) 18.767 4.979 ( 12.595 -23.400 -0.201) 26.575 6.275 ( 1.827 -12.723 0.137) 12.855 7.947 ( 8.547 -25.404 -1.357) 26.838 8.484 ( 3.821 -21.722 -1.484) 22.105 9.968 ( -13.644 -5.200 -0.192) 14.603 10.517 ( 13.904 -1.623 0.326) 14.002 12.219 ( -1.328 16.409 21.670) 27.214 13.040 ( -4.289 18.900 -12.503) 23.063 16.559 ( -5.568 15.773 -1.146) 16.766 ======================= Grid point 943 (349/580) ======================= q-point: (-0.17 -0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 0.000 -10.787 -1.342) 10.870 2.503 ( -0.000 -10.386 -4.634) 11.373 4.106 ( 0.000 -22.720 -0.350) 22.722 4.627 ( 0.000 -25.313 -0.620) 25.321 6.129 ( 0.000 -14.108 0.775) 14.129 7.544 ( 0.000 -39.279 -1.403) 39.304 8.239 ( 0.000 -20.251 -1.425) 20.301 10.061 ( -0.000 -2.093 -0.971) 2.307 10.409 ( 0.000 5.386 1.359) 5.555 12.462 ( 0.000 16.667 25.371) 30.356 13.239 ( -0.000 21.803 -15.351) 26.665 16.748 ( -0.000 13.891 -1.607) 13.983 ======================= Grid point 1040 (350/580) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.000 -0.000 29.480) 29.480 0.803 ( 0.000 -0.000 29.480) 29.480 1.761 ( 0.000 -0.000 66.121) 66.121 2.740 ( -0.000 0.000 -5.673) 5.673 2.740 ( -0.000 0.000 -5.673) 5.673 6.906 ( -0.000 0.000 -20.117) 20.117 7.337 ( 0.000 -0.000 1.969) 1.969 7.337 ( 0.000 -0.000 1.969) 1.969 10.785 ( -0.000 0.000 -1.407) 1.407 10.785 ( -0.000 0.000 -1.407) 1.407 15.374 ( 0.000 -0.000 1.863) 1.863 17.375 ( -0.000 0.000 -0.312) 0.312 ======================= Grid point 1041 (351/580) ======================= q-point: ( 0.22 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 15.746 9.091 22.071) 28.595 1.365 ( 22.766 13.144 25.503) 36.626 2.108 ( 15.819 9.133 48.865) 52.167 2.797 ( 7.070 4.082 -5.889) 10.066 3.091 ( 31.806 18.363 -2.777) 36.831 5.750 ( -20.101 -11.606 5.828) 23.932 7.375 ( 2.656 1.533 2.097) 3.715 10.204 ( 114.804 66.282 -87.705) 158.952 10.731 ( -3.595 -2.075 -2.564) 4.878 10.761 ( -1.784 -1.030 -1.446) 2.517 15.390 ( -0.978 -0.565 3.917) 4.077 17.090 ( -19.118 -11.038 1.387) 22.119 ======================= Grid point 1042 (352/580) ======================= q-point: ( 0.28 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 18.968 10.951 13.228) 25.587 1.818 ( 12.085 6.977 30.102) 33.180 2.668 ( 22.239 12.840 20.687) 32.976 3.037 ( 15.570 8.989 -4.734) 18.592 4.097 ( 52.916 30.551 1.667) 61.125 5.536 ( -2.995 -1.729 -3.757) 5.106 7.471 ( 5.326 3.075 1.958) 6.454 10.562 ( -8.991 -5.191 -2.919) 10.784 10.699 ( -3.151 -1.819 -1.439) 3.913 11.750 ( 47.218 27.261 -61.378) 82.097 15.266 ( -13.658 -7.886 16.122) 22.553 16.715 ( -10.546 -6.089 -12.247) 17.271 ======================= Grid point 1043 (353/580) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 15.083 8.708 7.100) 18.808 2.160 ( 11.532 6.658 24.927) 28.261 3.197 ( 19.996 11.545 8.292) 24.534 3.473 ( 23.040 13.302 -2.533) 26.724 5.343 ( 49.265 28.443 -1.467) 56.905 5.560 ( 11.199 6.466 -4.425) 13.668 7.633 ( 8.491 4.902 1.569) 9.929 10.306 ( -12.062 -6.964 -3.737) 14.421 10.616 ( -3.715 -2.145 -1.314) 4.486 12.297 ( 16.929 9.774 -36.085) 41.039 14.870 ( -25.076 -14.477 24.947) 38.220 16.530 ( -2.854 -1.648 -21.093) 21.349 ======================= Grid point 1044 (354/580) ======================= q-point: ( 0.39 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 11.308 6.528 3.244) 13.454 2.485 ( 10.972 6.335 18.315) 22.271 3.617 ( 15.944 9.205 0.221) 18.412 4.032 ( 25.454 14.696 -0.897) 29.405 5.691 ( 12.121 6.998 -7.602) 15.928 6.587 ( 47.739 27.562 1.491) 55.144 7.871 ( 12.119 6.997 0.989) 14.028 10.029 ( -9.925 -5.730 -3.900) 12.106 10.528 ( -3.575 -2.064 -0.990) 4.245 12.416 ( 2.588 1.494 -24.169) 24.353 14.321 ( -28.504 -16.457 23.514) 40.450 16.409 ( -3.509 -2.026 -17.449) 17.913 ======================= Grid point 1045 (355/580) ======================= q-point: ( 0.44 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 8.816 5.090 1.180) 10.248 2.742 ( 7.232 4.175 12.399) 14.949 3.951 ( 14.720 8.499 -5.177) 17.768 4.588 ( 22.829 13.181 -0.302) 26.363 5.995 ( 15.079 8.706 -4.186) 17.908 7.481 ( 28.530 16.472 -0.251) 32.944 8.189 ( 15.606 9.010 0.254) 18.022 9.918 ( 3.087 1.782 -2.729) 4.489 10.449 ( -3.247 -1.874 -0.412) 3.771 12.325 ( -4.232 -2.443 -18.455) 19.091 13.737 ( -27.456 -15.852 17.859) 36.387 16.253 ( -6.760 -3.903 -10.221) 12.861 ======================= Grid point 1046 (356/580) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 6.774 3.911 0.118) 7.823 2.881 ( 2.814 1.625 6.614) 7.370 4.273 ( 14.976 8.646 -7.034) 18.668 5.049 ( 17.485 10.095 -0.254) 20.192 6.296 ( 10.623 6.133 -0.928) 12.301 7.882 ( 9.844 5.683 -2.100) 11.559 8.573 ( 17.801 10.277 -0.603) 20.564 10.163 ( 15.960 9.215 -0.357) 18.433 10.374 ( -3.490 -2.015 0.406) 4.050 12.159 ( -5.062 -2.923 -13.791) 14.979 13.205 ( -22.112 -12.767 10.795) 27.721 16.045 ( -9.541 -5.508 -3.828) 11.663 ======================= Grid point 1047 (357/580) ======================= q-point: ( 0.56 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 4.715 2.722 -0.418) 5.460 2.925 ( 0.332 0.192 1.617) 1.662 4.576 ( 13.048 7.533 -7.335) 16.757 5.378 ( 11.460 6.616 -0.343) 13.237 6.428 ( 0.776 0.448 2.187) 2.364 8.084 ( 10.987 6.343 -3.839) 13.255 8.979 ( 17.664 10.198 -1.515) 20.453 10.283 ( -4.890 -2.823 1.366) 5.810 10.447 ( 5.140 2.968 2.651) 6.500 12.072 ( 1.083 0.625 -8.907) 8.994 12.835 ( -11.261 -6.502 3.854) 13.563 15.810 ( -10.282 -5.936 0.619) 11.889 ======================= Grid point 1048 (358/580) ======================= q-point: ( 0.61 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 2.518 1.454 -0.651) 2.979 2.917 ( -0.852 -0.492 -2.091) 2.311 4.808 ( 8.938 5.160 -7.264) 12.621 5.572 ( 5.697 3.289 -0.382) 6.590 6.390 ( -3.526 -2.035 4.887) 6.361 8.368 ( 13.745 7.936 -6.072) 16.993 9.348 ( 14.718 8.498 -2.440) 17.169 10.152 ( -7.111 -4.106 2.387) 8.551 10.397 ( -8.214 -4.742 6.777) 11.657 12.113 ( 2.677 1.545 -5.735) 6.515 12.730 ( 0.543 0.314 -0.676) 0.922 15.610 ( -6.889 -3.977 3.344) 8.629 ======================= Grid point 1049 (359/580) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -1.685 -0.973 -4.202) 4.631 2.897 ( 0.205 0.118 -0.678) 0.718 4.932 ( 3.563 2.057 -6.482) 7.678 5.638 ( 0.208 0.120 -0.329) 0.408 6.349 ( -0.826 -0.477 6.042) 6.116 8.585 ( 4.983 2.877 -6.799) 8.907 9.590 ( 4.917 2.839 -2.972) 6.408 10.002 ( -4.704 -2.716 3.033) 6.221 10.260 ( -2.997 -1.730 9.000) 9.642 12.148 ( 2.194 1.266 -4.461) 5.130 12.736 ( -2.099 -1.212 -2.344) 3.372 15.558 ( 1.936 1.118 4.930) 5.413 ======================= Grid point 1050 (360/580) ======================= q-point: (-0.28 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -2.301 -1.329 -4.466) 5.197 2.873 ( -2.157 -1.245 -0.536) 2.547 4.926 ( -2.831 -1.634 -4.586) 5.632 5.579 ( -5.322 -3.073 -0.206) 6.149 6.390 ( 2.529 1.460 4.926) 5.727 8.530 ( -7.350 -4.243 -2.473) 8.840 9.466 ( -13.155 -7.595 -0.100) 15.190 10.044 ( 5.923 3.420 0.272) 6.845 10.345 ( 6.712 3.875 5.698) 9.620 12.179 ( 0.411 0.237 -4.627) 4.651 12.612 ( -5.605 -3.236 -2.483) 6.932 15.729 ( 11.090 6.403 5.755) 14.039 ======================= Grid point 1051 (361/580) ======================= q-point: (-0.22 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -3.086 -1.782 -3.014) 4.667 2.795 ( -4.510 -2.604 -0.218) 5.212 4.778 ( -9.198 -5.311 -2.238) 10.855 5.392 ( -11.111 -6.415 -0.013) 12.830 6.446 ( 0.094 0.054 2.555) 2.557 8.317 ( -10.009 -5.779 1.841) 11.703 9.095 ( -18.500 -10.681 1.154) 21.393 10.184 ( 5.918 3.417 -0.914) 6.895 10.453 ( -1.619 -0.934 2.842) 3.402 12.113 ( -1.073 -0.620 -10.951) 11.021 12.613 ( 6.014 3.472 2.070) 7.247 16.056 ( 15.286 8.825 5.783) 18.574 ======================= Grid point 1052 (362/580) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -5.073 -2.929 -0.022) 5.858 2.666 ( -6.855 -3.958 0.346) 7.923 4.500 ( -14.758 -8.521 -0.490) 17.049 5.072 ( -16.963 -9.793 0.281) 19.589 6.367 ( -7.618 -4.398 0.700) 8.825 8.070 ( -14.406 -8.317 2.624) 16.840 8.660 ( -19.448 -11.228 1.459) 22.504 10.256 ( -13.182 -7.611 2.162) 15.374 10.304 ( 4.986 2.879 -1.247) 5.891 12.202 ( 12.251 7.073 -19.531) 24.116 12.846 ( 12.588 7.268 8.944) 17.067 16.424 ( 15.140 8.741 4.580) 18.072 ======================= Grid point 1059 (363/580) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.000 20.474 22.265) 30.247 1.376 ( 0.000 33.021 20.360) 38.793 2.217 ( 0.000 9.044 51.540) 52.327 2.800 ( -0.000 9.487 -6.327) 11.403 3.060 ( -0.000 36.050 -2.023) 36.107 5.762 ( 0.000 -24.601 4.183) 24.954 7.374 ( 0.000 2.855 2.068) 3.526 9.948 ( -0.000 128.179 -77.794) 149.939 10.731 ( -0.000 -4.303 -2.130) 4.801 10.751 ( -0.000 -2.423 -1.596) 2.902 15.398 ( 0.000 -0.758 3.658) 3.735 17.109 ( 0.000 -20.398 0.512) 20.404 ======================= Grid point 1060 (364/580) ======================= q-point: ( 0.28 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 4.136 22.245 16.267) 27.867 1.846 ( 8.522 18.786 24.677) 32.163 2.567 ( 12.761 13.817 29.549) 35.027 2.959 ( 6.935 15.533 -5.350) 17.832 3.762 ( 30.070 47.914 2.010) 56.604 5.557 ( -3.853 -6.207 -2.735) 7.801 7.444 ( 2.991 4.546 2.076) 5.824 10.615 ( -5.155 -7.690 -2.680) 9.639 10.702 ( -0.551 -2.327 -2.361) 3.361 11.192 ( 38.326 60.815 -64.566) 96.624 15.356 ( -3.828 -8.769 10.701) 14.355 16.807 ( -10.838 -12.376 -7.439) 18.054 ======================= Grid point 1061 (365/580) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 8.404 16.605 10.470) 21.353 2.184 ( 5.929 12.722 25.749) 29.326 3.033 ( 16.786 14.177 12.256) 25.159 3.319 ( 14.879 21.556 -3.030) 26.367 4.895 ( 42.885 46.789 1.601) 63.489 5.502 ( 1.684 3.026 -6.808) 7.638 7.578 ( 5.525 6.849 1.914) 9.005 10.390 ( -9.229 -10.402 -3.542) 14.350 10.646 ( -2.191 -2.258 -1.507) 3.489 11.961 ( 23.806 20.935 -41.579) 52.286 15.106 ( -14.454 -19.895 21.746) 32.827 16.547 ( -6.938 -0.756 -19.265) 20.490 ======================= Grid point 1062 (366/580) ======================= q-point: ( 0.39 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 7.958 12.633 5.783) 16.012 2.472 ( 6.549 10.206 21.244) 24.462 3.453 ( 14.900 11.012 2.456) 18.689 3.845 ( 19.446 24.752 -1.117) 31.497 5.568 ( 8.700 8.875 -8.637) 15.135 6.146 ( 43.131 41.330 2.161) 59.775 7.783 ( 8.446 9.591 1.595) 12.879 10.096 ( -9.956 -12.020 -3.937) 16.097 10.583 ( -3.204 0.076 -1.375) 3.487 12.251 ( 9.785 3.154 -26.822) 28.724 14.632 ( -22.244 -23.568 23.434) 39.992 16.410 ( -4.083 1.108 -19.353) 19.810 ======================= Grid point 1063 (367/580) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 6.240 11.179 2.654) 13.075 2.718 ( 5.787 6.227 15.856) 17.991 3.783 ( 13.283 9.021 -4.167) 16.588 4.422 ( 18.862 24.534 -0.450) 30.949 5.841 ( 13.115 12.146 -5.114) 18.593 7.191 ( 32.955 32.129 0.667) 46.030 8.066 ( 11.583 12.338 1.134) 16.961 9.847 ( -2.469 -10.543 -3.342) 11.333 10.537 ( -3.948 4.016 -1.102) 5.739 12.259 ( 1.198 -4.490 -19.780) 20.319 14.057 ( -24.920 -22.216 18.713) 38.272 16.283 ( -5.071 -2.614 -12.506) 13.746 ======================= Grid point 1064 (368/580) ======================= q-point: ( 0.50 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 4.182 10.481 0.930) 11.323 2.870 ( 2.918 1.844 9.605) 10.207 4.087 ( 14.183 8.823 -6.663) 17.983 4.943 ( 14.574 22.460 -0.414) 26.778 6.182 ( 12.326 12.089 -1.536) 17.333 7.817 ( 11.080 17.643 -0.900) 20.853 8.423 ( 14.126 14.484 0.566) 20.240 9.861 ( 14.713 -6.435 -1.509) 16.129 10.532 ( -4.270 10.679 -0.451) 11.510 12.131 ( -2.349 -6.959 -15.522) 17.172 13.479 ( -23.450 -18.571 12.338) 32.358 16.107 ( -6.938 -6.886 -5.468) 11.201 ======================= Grid point 1065 (369/580) ======================= q-point: ( 0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 2.028 9.684 0.004) 9.894 2.921 ( 0.601 -0.626 3.668) 3.769 4.395 ( 14.100 7.594 -6.871) 17.426 5.351 ( 8.574 20.402 -0.419) 22.135 6.430 ( 3.861 7.494 1.269) 8.526 8.032 ( 3.602 10.818 -2.268) 11.626 8.820 ( 14.828 14.756 -0.181) 20.920 10.070 ( 14.149 -10.162 0.275) 17.422 10.616 ( -3.331 17.391 1.204) 17.748 12.000 ( 0.611 -5.769 -11.226) 12.637 12.999 ( -16.644 -12.362 5.836) 21.538 15.886 ( -7.903 -9.708 -0.361) 12.524 ======================= Grid point 1066 (370/580) ======================= q-point: ( 0.61 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( -0.207 6.204 -1.004) 6.288 2.917 ( -0.466 0.938 -0.293) 1.087 4.659 ( 11.529 4.927 -6.898) 14.310 5.637 ( 1.905 19.771 -0.328) 19.865 6.463 ( -4.682 1.396 3.801) 6.190 8.245 ( 9.423 11.782 -4.221) 15.666 9.199 ( 13.409 12.198 -0.998) 18.154 10.106 ( 3.231 -10.434 1.726) 11.058 10.647 ( -12.306 10.696 4.303) 16.863 12.003 ( 6.871 -3.232 -7.297) 10.531 12.742 ( -4.568 -4.085 0.485) 6.147 15.664 ( -6.334 -9.886 2.753) 12.059 ======================= Grid point 1067 (371/580) ======================= q-point: ( 0.67 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -1.047 -1.825 -3.727) 4.280 2.956 ( -2.526 7.394 -0.530) 7.831 4.835 ( 7.342 1.656 -6.785) 10.133 5.802 ( -5.963 20.297 -0.393) 21.159 6.386 ( -3.705 -1.870 5.716) 7.064 8.504 ( 8.103 9.012 -6.645) 13.821 9.486 ( 9.254 5.813 -1.342) 11.010 10.032 ( -1.803 -6.671 2.943) 7.510 10.490 ( -15.280 8.344 7.474) 18.946 12.061 ( 5.478 -3.471 -5.506) 8.507 12.715 ( 1.440 -1.469 -1.930) 2.821 15.530 ( 0.008 -6.375 4.430) 7.763 ======================= Grid point 1068 (372/580) ======================= q-point: (-0.28 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -1.468 -2.073 -4.425) 5.103 2.958 ( -4.864 6.056 -0.623) 7.793 4.897 ( 2.049 -1.836 -5.937) 6.543 5.814 ( -14.091 16.754 -0.349) 21.895 6.378 ( 1.966 0.222 5.743) 6.074 8.588 ( -2.659 1.167 -5.515) 6.233 9.571 ( -3.688 -2.064 -0.614) 4.271 9.968 ( 1.443 -3.013 2.196) 3.998 10.447 ( -4.663 14.505 7.174) 16.841 12.100 ( 4.825 -3.928 -4.948) 7.950 12.655 ( -4.292 -4.901 -2.456) 6.962 15.593 ( 9.835 -0.676 5.161) 11.127 ======================= Grid point 1069 (373/580) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -1.843 -2.104 -3.246) 4.285 2.905 ( -7.127 4.343 -0.489) 8.361 4.831 ( -4.130 -5.093 -4.262) 7.820 5.662 ( -18.455 9.734 -0.085) 20.865 6.453 ( 1.626 2.884 3.772) 5.019 8.451 ( -9.461 -2.105 -0.969) 9.741 9.323 ( -17.338 -6.631 0.678) 18.576 10.039 ( 7.406 -3.753 0.442) 8.314 10.585 ( -2.059 15.788 3.668) 16.339 12.071 ( -0.488 -7.319 -7.682) 10.622 12.561 ( 1.431 -0.808 -0.178) 1.653 15.856 ( 16.668 3.092 5.072) 17.695 ======================= Grid point 1070 (374/580) ======================= q-point: (-0.17 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -2.891 -2.275 -0.551) 3.720 2.797 ( -9.229 2.269 -0.039) 9.504 4.633 ( -10.404 -7.556 -2.490) 13.097 5.382 ( -22.287 3.954 -0.007) 22.636 6.453 ( -5.173 -0.411 1.633) 5.440 8.261 ( -11.879 -0.484 1.528) 11.987 8.917 ( -20.980 -7.915 1.257) 22.459 10.075 ( 4.461 -12.125 0.098) 12.920 10.603 ( -12.704 11.823 1.573) 17.426 12.022 ( 7.251 0.088 -15.044) 16.701 12.708 ( 11.774 3.444 5.626) 13.496 16.213 ( 18.426 4.020 3.892) 19.257 ======================= Grid point 1078 (375/580) ======================= q-point: ( 0.28 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 18.338 13.916) 23.020 2.061 ( 0.000 23.234 21.411) 31.595 2.691 ( 0.000 16.634 25.806) 30.702 3.057 ( -0.000 20.167 -5.090) 20.799 4.056 ( -0.000 60.102 3.379) 60.196 5.522 ( -0.000 -3.762 -4.536) 5.893 7.477 ( 0.000 6.533 1.984) 6.828 10.561 ( -0.000 -9.362 -3.306) 9.928 10.675 ( -0.000 -4.194 -1.610) 4.492 11.319 ( -0.000 56.251 -54.479) 78.308 15.311 ( 0.000 -14.692 13.370) 19.865 16.754 ( -0.000 -9.942 -11.717) 15.367 ======================= Grid point 1079 (376/580) ======================= q-point: ( 0.33 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 3.165 15.803 9.980) 18.956 2.341 ( 1.535 16.413 23.277) 28.523 3.006 ( 8.574 18.079 13.042) 23.884 3.344 ( 8.648 25.538 -3.146) 27.146 4.870 ( 21.515 59.280 2.569) 63.116 5.499 ( 0.617 4.271 -7.034) 8.252 7.586 ( 3.185 8.759 1.916) 9.515 10.397 ( -5.724 -12.093 -3.553) 13.843 10.629 ( 0.162 -3.656 -1.518) 3.962 11.753 ( 13.669 27.527 -38.885) 49.565 15.118 ( -6.117 -24.433 19.699) 31.975 16.600 ( -5.414 -0.482 -18.754) 19.525 ======================= Grid point 1080 (377/580) ======================= q-point: ( 0.39 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 5.417 13.717 6.851) 16.261 2.575 ( 2.038 11.887 21.461) 24.618 3.364 ( 10.550 14.860 2.665) 18.418 3.819 ( 15.132 29.212 -1.276) 32.923 5.521 ( 5.937 12.237 -8.198) 15.881 5.977 ( 30.527 51.743 2.114) 60.114 7.771 ( 6.059 11.646 1.900) 13.265 10.121 ( -9.545 -14.134 -4.007) 17.520 10.604 ( 0.179 -0.971 -1.469) 1.770 12.035 ( 10.563 6.254 -26.115) 28.856 14.741 ( -13.443 -29.211 21.680) 38.782 16.463 ( -5.924 2.969 -19.618) 20.707 ======================= Grid point 1081 (378/580) ======================= q-point: ( 0.44 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 5.573 13.334 4.292) 15.076 2.765 ( 2.274 7.076 17.477) 18.992 3.665 ( 10.232 11.455 -4.396) 15.976 4.392 ( 16.954 29.962 -0.751) 34.434 5.764 ( 9.972 15.425 -5.114) 19.066 7.016 ( 31.377 44.569 1.053) 54.516 8.033 ( 8.760 14.743 1.822) 17.246 9.801 ( -8.335 -14.992 -3.831) 17.576 10.613 ( -0.110 3.972 -1.570) 4.273 12.100 ( 4.654 -4.768 -18.887) 20.028 14.236 ( -18.494 -28.134 18.370) 38.354 16.323 ( -6.450 -0.788 -14.328) 15.732 ======================= Grid point 1082 (379/580) ======================= q-point: ( 0.50 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 3.930 13.705 2.267) 14.437 2.883 ( 1.215 2.009 11.903) 12.133 3.936 ( 11.541 9.952 -6.953) 16.751 4.952 ( 14.560 28.385 -0.976) 31.916 6.116 ( 11.981 17.690 -1.004) 21.389 7.831 ( 16.334 31.821 -0.196) 35.769 8.368 ( 11.366 17.193 1.656) 20.677 9.590 ( 3.740 -13.164 -2.713) 13.952 10.678 ( -0.067 10.898 -1.423) 10.991 12.020 ( 0.550 -9.049 -14.917) 17.456 13.685 ( -20.377 -24.204 13.042) 34.222 16.137 ( -7.286 -6.775 -7.702) 12.582 ======================= Grid point 1083 (380/580) ======================= q-point: ( 0.56 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 1.357 11.206 1.171) 11.348 2.925 ( -0.081 1.612 5.530) 5.761 4.217 ( 12.967 8.026 -6.529) 16.589 5.429 ( 10.151 25.843 -0.904) 27.780 6.462 ( 6.723 16.582 1.662) 17.970 8.163 ( -2.389 18.204 -1.454) 18.418 8.757 ( 12.300 18.143 1.404) 21.964 9.684 ( 18.106 -9.826 -1.070) 20.628 10.823 ( 0.359 17.899 -0.346) 17.906 11.884 ( -0.132 -9.588 -11.733) 15.153 13.169 ( -17.885 -18.182 7.416) 26.561 15.902 ( -7.430 -11.813 -2.309) 14.145 ======================= Grid point 1084 (381/580) ======================= q-point: ( 0.61 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( -0.580 -2.319 0.473) 2.437 3.032 ( -1.516 13.770 0.509) 13.862 4.483 ( 12.276 4.881 -6.010) 14.514 5.805 ( 5.632 23.599 -0.123) 24.262 6.629 ( -5.580 12.806 2.836) 14.254 8.278 ( 0.560 15.135 -2.323) 15.323 9.130 ( 10.877 15.616 0.806) 19.048 9.869 ( 12.982 -9.908 0.212) 16.333 10.975 ( -6.784 17.860 2.243) 19.236 11.802 ( 5.743 -8.518 -8.485) 13.324 12.802 ( -9.429 -9.594 2.023) 13.603 15.652 ( -5.927 -14.213 1.262) 15.451 ======================= Grid point 1085 (382/580) ======================= q-point: ( 0.67 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -0.871 -2.538 -2.683) 3.795 3.117 ( -4.158 13.025 0.026) 13.672 4.685 ( 9.560 1.373 -5.990) 11.364 6.095 ( 2.067 22.107 1.143) 22.233 6.564 ( -14.781 10.202 3.190) 18.241 8.477 ( 5.446 13.631 -4.323) 15.302 9.415 ( 7.362 9.171 0.643) 11.778 9.936 ( 5.672 -7.698 1.747) 9.720 10.918 ( -17.635 14.647 5.023) 23.468 11.849 ( 10.101 -8.560 -6.208) 14.623 12.675 ( -0.074 -2.663 -1.495) 3.055 15.456 ( -1.207 -12.758 3.250) 13.221 ======================= Grid point 1086 (383/580) ======================= q-point: (-0.28 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -1.080 -2.271 -3.938) 4.672 3.146 ( -6.720 11.608 -0.205) 13.414 4.795 ( 5.530 -1.890 -5.910) 8.311 6.327 ( -2.479 24.256 1.719) 24.443 6.384 ( -15.704 5.814 3.357) 17.079 8.628 ( 0.155 6.964 -5.605) 8.941 9.570 ( 3.240 3.605 1.465) 5.063 9.926 ( 0.356 -6.447 1.917) 6.735 10.803 ( -14.336 18.712 6.170) 24.366 11.907 ( 8.710 -9.144 -5.400) 13.735 12.646 ( -1.038 -4.126 -2.423) 4.896 15.414 ( 7.621 -7.707 4.044) 11.568 ======================= Grid point 1087 (384/580) ======================= q-point: (-0.22 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -1.244 -1.816 -3.194) 3.879 3.114 ( -9.144 9.600 -0.272) 13.261 4.799 ( 0.470 -4.638 -5.309) 7.065 6.152 ( -21.098 10.318 1.219) 23.517 6.508 ( -1.218 15.468 3.209) 15.844 8.585 ( -7.171 1.902 -3.105) 8.042 9.535 ( -11.319 -1.872 1.201) 11.536 9.893 ( 4.412 -5.683 1.037) 7.269 10.854 ( -6.373 21.961 4.577) 23.321 11.921 ( 5.262 -10.672 -5.766) 13.222 12.544 ( -2.463 -4.808 -1.680) 5.657 15.586 ( 16.362 -2.774 3.860) 17.039 ======================= Grid point 1088 (385/580) ======================= q-point: (-0.17 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -1.633 -1.409 -0.835) 2.313 3.021 ( -11.327 7.022 -0.048) 13.328 4.688 ( -5.314 -6.502 -4.328) 9.447 5.863 ( -23.984 8.263 0.066) 25.367 6.578 ( -6.389 8.235 2.836) 10.801 8.464 ( -9.156 4.608 -0.471) 10.261 9.214 ( -20.239 -5.051 1.388) 20.906 9.895 ( 3.096 -11.516 0.031) 11.925 10.953 ( -10.149 18.527 2.469) 21.268 11.855 ( 4.249 -7.573 -10.426) 13.569 12.560 ( 8.211 -0.562 2.637) 8.642 15.903 ( 20.536 -0.612 2.653) 20.716 ======================= Grid point 1097 (386/580) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 0.000 12.657 6.622) 14.285 2.553 ( 0.000 13.772 23.120) 26.911 3.164 ( 0.000 20.808 7.619) 22.159 3.521 ( -0.000 28.071 -2.585) 28.190 5.291 ( -0.000 52.828 0.509) 52.830 5.553 ( -0.000 18.628 -5.694) 19.479 7.659 ( -0.000 10.853 1.569) 10.966 10.319 ( -0.000 -12.356 -3.682) 12.893 10.573 ( -0.000 -5.008 -1.325) 5.180 11.785 ( -0.000 19.438 -30.369) 36.057 14.960 ( 0.000 -29.707 19.952) 35.785 16.599 ( -0.000 2.269 -19.922) 20.050 ======================= Grid point 1098 (387/580) ======================= q-point: ( 0.39 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 4.137 11.240 4.524) 12.803 2.733 ( 0.001 9.403 21.666) 23.618 3.415 ( 3.846 19.170 -0.032) 19.552 3.888 ( 9.880 29.728 -1.473) 31.362 5.558 ( 2.543 13.977 -7.749) 16.183 6.141 ( 14.870 58.616 1.953) 60.504 7.814 ( 3.756 13.373 1.399) 13.960 10.120 ( -7.196 -12.902 -3.974) 15.299 10.550 ( 2.788 -3.339 -1.182) 4.508 11.891 ( 5.107 5.841 -21.490) 22.847 14.655 ( -5.895 -32.725 19.383) 38.489 16.532 ( -4.374 3.238 -18.907) 19.674 ======================= Grid point 1099 (388/580) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 6.767 11.358 3.572) 13.695 2.862 ( 0.018 4.798 17.967) 18.597 3.653 ( 4.875 15.815 -5.975) 17.595 4.407 ( 15.687 30.043 -1.063) 33.909 5.772 ( 6.849 17.995 -4.950) 19.881 7.022 ( 22.831 50.329 0.987) 55.274 8.058 ( 7.032 16.322 1.490) 17.835 9.817 ( -11.105 -13.278 -3.970) 17.759 10.599 ( 4.464 1.571 -1.430) 4.944 11.925 ( 4.128 -4.346 -15.295) 16.427 14.240 ( -11.006 -32.092 16.638) 37.787 16.400 ( -7.408 -0.076 -14.867) 16.611 ======================= Grid point 1100 (389/580) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 6.728 12.142 2.923) 14.186 2.930 ( -0.322 0.799 12.527) 12.557 3.869 ( 6.472 13.040 -7.923) 16.574 4.973 ( 15.988 28.666 -1.461) 32.856 6.113 ( 10.842 21.128 -0.680) 23.757 7.860 ( 21.521 38.827 -0.008) 44.393 8.376 ( 9.127 18.581 1.562) 20.761 9.492 ( -8.920 -13.068 -3.386) 16.180 10.727 ( 5.252 8.805 -1.869) 10.422 11.865 ( 1.821 -9.333 -11.620) 15.015 13.760 ( -14.461 -28.727 12.567) 34.530 16.191 ( -9.327 -5.939 -9.596) 14.641 ======================= Grid point 1101 (390/580) ======================= q-point: ( 0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 0.053 -0.777 5.974) 6.025 3.009 ( 3.419 12.588 2.827) 13.347 4.092 ( 8.921 9.700 -6.760) 14.811 5.484 ( 12.733 25.282 -1.533) 28.349 6.523 ( 10.255 22.673 2.349) 24.995 8.418 ( 1.840 27.553 -1.123) 27.637 8.742 ( 11.932 18.704 1.645) 22.247 9.322 ( 7.535 -11.686 -2.056) 14.056 10.938 ( 5.450 15.819 -1.951) 16.845 11.754 ( 0.406 -9.940 -9.063) 13.457 13.273 ( -15.165 -23.354 8.186) 29.024 15.916 ( -9.665 -11.886 -4.739) 16.036 ======================= Grid point 1102 (391/580) ======================= q-point: ( 0.61 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( -0.984 -3.381 2.088) 4.094 3.198 ( 0.551 15.586 1.141) 15.637 4.317 ( 10.410 5.350 -5.325) 12.859 5.888 ( 8.889 19.603 -0.381) 21.528 6.874 ( 1.515 24.019 2.941) 24.245 8.520 ( -9.623 18.905 -1.687) 21.280 9.124 ( 10.128 17.279 1.573) 20.090 9.486 ( 19.355 -9.210 -0.766) 21.448 11.185 ( 3.760 16.808 -1.072) 17.257 11.646 ( -0.259 -7.225 -6.363) 9.631 12.864 ( -10.886 -15.677 3.653) 19.432 15.615 ( -7.892 -16.022 -1.022) 17.889 ======================= Grid point 1103 (392/580) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -0.918 -3.192 -1.201) 3.532 3.333 ( -3.354 15.944 0.627) 16.305 4.511 ( 9.981 1.022 -4.834) 11.137 6.169 ( 5.945 11.062 1.833) 12.691 7.041 ( -12.453 28.399 1.644) 31.053 8.584 ( -2.289 16.553 -2.227) 16.858 9.413 ( 5.825 11.845 1.444) 13.278 9.693 ( 14.142 -7.845 0.490) 16.180 11.330 ( -6.134 13.478 1.695) 14.905 11.579 ( 3.436 -6.926 -4.451) 8.921 12.650 ( -2.004 -6.298 -0.753) 6.652 15.350 ( -3.344 -16.777 1.393) 17.164 ======================= Grid point 1104 (393/580) ======================= q-point: ( 0.72 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( -0.814 -2.436 -2.881) 3.860 3.399 ( -6.945 15.018 0.390) 16.550 4.643 ( 7.797 -2.384 -4.968) 9.548 6.318 ( 3.369 1.170 4.084) 5.422 7.060 ( -21.271 35.546 0.044) 41.425 8.705 ( -0.694 11.111 -3.552) 11.686 9.573 ( 2.680 6.849 2.281) 7.700 9.808 ( 6.702 -6.846 1.098) 9.644 11.274 ( -14.892 15.347 4.068) 21.768 11.609 ( 9.945 -9.697 -4.143) 14.495 12.607 ( 0.446 -3.280 -2.786) 4.326 15.211 ( 4.701 -13.325 2.513) 14.352 ======================= Grid point 1105 (394/580) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -0.776 -1.481 -2.745) 3.214 3.393 ( -10.038 12.837 0.261) 16.298 4.697 ( 4.204 -4.552 -5.121) 8.038 6.330 ( -1.822 -3.745 4.300) 5.987 7.038 ( -22.554 35.765 -0.027) 42.282 8.722 ( -5.501 5.836 -3.060) 8.583 9.667 ( -1.810 4.952 2.137) 5.689 9.778 ( 0.715 -9.596 0.679) 9.647 11.227 ( -9.330 16.694 3.382) 19.421 11.674 ( 8.117 -7.502 -3.397) 11.563 12.529 ( -2.879 -6.301 -2.620) 7.406 15.277 ( 14.212 -7.909 2.388) 16.439 ======================= Grid point 1106 (395/580) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -0.859 -0.577 -0.978) 1.423 3.311 ( -12.566 9.584 0.309) 15.806 4.665 ( -0.559 -5.429 -5.071) 7.450 6.209 ( -10.358 -1.589 2.070) 10.682 6.970 ( -21.097 23.672 1.776) 31.758 8.664 ( -7.191 8.517 -1.615) 11.263 9.493 ( -15.945 -3.713 1.351) 16.427 9.741 ( 1.945 -10.460 0.002) 10.639 11.305 ( -4.497 19.026 1.784) 19.631 11.676 ( 1.636 -7.590 -5.273) 9.386 12.440 ( 2.802 -5.433 0.198) 6.116 15.529 ( 20.616 -4.344 1.197) 21.102 ======================= Grid point 1116 (396/580) ======================= q-point: ( 0.39 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 0.000 9.497 2.270) 9.765 2.867 ( 0.000 4.934 20.370) 20.959 3.579 ( -0.000 20.236 -4.375) 20.703 4.085 ( -0.000 29.114 -1.243) 29.140 5.661 ( -0.000 16.289 -7.195) 17.807 6.603 ( -0.000 57.126 1.437) 57.144 7.923 ( -0.000 15.220 0.633) 15.234 10.070 ( -0.000 -9.235 -4.104) 10.106 10.470 ( 0.000 -4.750 -0.598) 4.788 11.834 ( -0.000 0.966 -15.304) 15.335 14.425 ( 0.000 -34.254 16.926) 38.207 16.547 ( -0.000 2.054 -17.084) 17.207 ======================= Grid point 1117 (397/580) ======================= q-point: ( 0.44 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 5.502 8.993 1.500) 10.649 2.945 ( -0.410 0.735 16.765) 16.786 3.763 ( 0.760 18.598 -7.757) 20.165 4.458 ( 10.619 28.002 -1.015) 29.965 5.850 ( 3.917 19.197 -4.959) 20.210 7.225 ( 10.833 47.345 0.272) 48.570 8.125 ( 4.658 17.477 0.303) 18.090 9.893 ( -10.081 -5.968 -3.886) 12.343 10.494 ( 6.822 -1.428 -0.613) 6.997 11.796 ( 1.470 -4.647 -10.061) 11.179 14.091 ( -4.781 -33.656 14.006) 36.766 16.465 ( -5.085 -1.105 -13.987) 14.924 ======================= Grid point 1118 (398/580) ======================= q-point: ( 0.50 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 9.038 9.359 1.566) 13.105 2.967 ( -0.687 -2.383 11.902) 12.158 3.927 ( 1.377 16.137 -8.434) 18.261 4.963 ( 16.179 26.644 -1.299) 31.198 6.148 ( 8.985 20.687 -1.474) 22.602 7.868 ( 17.670 32.319 -0.966) 36.847 8.423 ( 8.126 19.863 0.424) 21.465 9.615 ( -15.249 -2.813 -3.241) 15.841 10.662 ( 10.188 6.151 -1.290) 11.971 11.727 ( 0.702 -8.226 -6.566) 10.549 13.691 ( -8.422 -30.999 10.772) 33.881 16.270 ( -9.477 -5.828 -10.234) 15.117 ======================= Grid point 1119 (399/580) ======================= q-point: ( 0.56 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 0.344 -1.666 5.744) 5.991 3.021 ( 8.275 8.299 2.924) 12.079 4.083 ( 2.813 12.664 -6.795) 14.645 5.486 ( 14.970 24.147 -1.601) 28.456 6.548 ( 13.195 21.237 1.553) 25.051 8.438 ( 20.711 16.786 -1.676) 26.712 8.772 ( 8.002 20.797 0.578) 22.291 9.330 ( -15.103 1.344 -2.348) 15.343 10.940 ( 10.497 13.754 -2.279) 17.451 11.630 ( 0.432 -8.969 -4.217) 9.920 13.269 ( -10.506 -26.431 7.666) 29.457 15.975 ( -12.070 -10.937 -6.565) 17.561 ======================= Grid point 1120 (400/580) ======================= q-point: ( 0.61 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -1.298 -4.356 3.066) 5.483 3.283 ( 7.330 12.832 1.403) 14.844 4.231 ( 4.660 7.628 -4.780) 10.136 5.910 ( 9.902 18.331 -0.872) 20.852 7.004 ( 12.698 23.421 2.605) 26.768 8.864 ( 7.116 13.777 -1.764) 15.606 9.025 ( 4.207 7.734 -0.487) 8.818 9.229 ( 3.437 9.274 -0.103) 9.891 11.206 ( 4.887 8.881 -4.052) 10.917 11.593 ( 3.933 0.530 -1.309) 4.179 12.877 ( -9.810 -20.057 4.752) 22.828 15.622 ( -11.926 -15.171 -3.385) 19.592 ======================= Grid point 1121 (401/580) ======================= q-point: ( 0.67 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -1.063 -3.758 0.265) 3.914 3.511 ( 2.279 15.192 1.042) 15.397 4.361 ( 6.514 1.700 -3.688) 7.676 6.174 ( 5.152 9.407 0.783) 10.754 7.422 ( 4.233 28.860 1.813) 29.225 8.878 ( -12.205 17.403 -1.693) 21.324 9.306 ( 21.038 -5.180 0.007) 21.666 9.453 ( 5.525 12.233 0.820) 13.447 11.230 ( 3.101 -9.446 -4.456) 10.895 11.749 ( -1.116 17.143 1.551) 17.250 12.605 ( -3.367 -11.758 1.090) 12.280 15.275 ( -8.266 -17.253 -0.863) 19.150 ======================= Grid point 1122 (402/580) ======================= q-point: ( 0.72 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -0.705 -2.552 -1.463) 3.025 3.656 ( -3.892 16.132 0.953) 16.623 4.465 ( 7.713 -3.177 -3.668) 9.113 6.290 ( 2.251 1.392 2.378) 3.558 7.701 ( -9.498 35.358 0.583) 36.616 8.864 ( -6.095 11.584 -1.864) 13.222 9.562 ( 13.045 -5.189 0.281) 14.042 9.632 ( 3.176 10.019 1.983) 10.696 11.173 ( 8.010 -17.660 -4.116) 19.824 11.814 ( -11.883 18.922 4.410) 22.774 12.539 ( 2.784 -4.175 -2.782) 5.738 15.028 ( -0.504 -15.811 0.749) 15.836 ======================= Grid point 1123 (403/580) ======================= q-point: (-0.22 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -0.424 -1.145 -1.873) 2.236 3.696 ( -9.249 14.169 0.949) 16.947 4.539 ( 7.022 -5.120 -4.162) 9.636 6.311 ( 0.558 -2.814 3.185) 4.286 7.788 ( -21.452 35.232 0.143) 41.249 8.865 ( -4.113 7.148 -1.723) 8.425 9.627 ( 4.081 -8.730 0.229) 9.640 9.776 ( -0.480 9.255 2.122) 9.507 11.142 ( 11.508 -18.852 -3.858) 22.422 11.822 ( -10.369 20.799 4.958) 23.763 12.502 ( -1.848 -5.676 -3.563) 6.951 14.977 ( 9.864 -10.989 0.987) 14.800 ======================= Grid point 1124 (404/580) ======================= q-point: (-0.17 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -0.291 0.164 -0.908) 0.968 3.627 ( -12.777 9.618 0.905) 16.018 4.574 ( 3.822 -4.241 -4.692) 7.390 6.277 ( -2.036 -3.530 2.820) 4.955 7.658 ( -28.080 23.829 0.994) 36.841 8.869 ( -5.148 11.787 -1.382) 12.936 9.548 ( -0.321 -14.028 -0.038) 14.031 9.760 ( -9.215 2.386 0.940) 9.565 11.208 ( 14.458 -9.277 -4.042) 17.647 11.879 ( -10.738 20.000 3.754) 23.009 12.358 ( -2.361 -9.984 -1.614) 10.385 15.140 ( 18.210 -6.278 -0.100) 19.262 ======================= Grid point 1135 (405/580) ======================= q-point: ( 0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -0.000 7.743 0.334) 7.750 2.983 ( 0.000 -2.659 13.544) 13.803 3.920 ( -0.000 18.358 -8.735) 20.330 4.622 ( -0.000 25.363 -0.798) 25.376 5.992 ( -0.000 19.358 -4.112) 19.790 7.553 ( -0.000 36.358 -1.253) 36.380 8.259 ( -0.000 18.554 -0.772) 18.570 9.987 ( -0.000 5.563 -3.885) 6.785 10.384 ( 0.000 -3.821 0.541) 3.859 11.715 ( -0.000 -5.392 -5.063) 7.397 13.835 ( 0.000 -33.207 11.063) 35.001 16.451 ( -0.000 -3.604 -12.065) 12.592 ======================= Grid point 1136 (406/580) ======================= q-point: ( 0.50 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 6.669 7.310 0.219) 9.897 2.974 ( -0.559 -4.784 9.752) 10.877 4.064 ( -0.496 16.589 -8.209) 18.515 4.961 ( 11.531 23.196 -0.821) 25.917 6.211 ( 5.109 18.037 -2.129) 18.867 7.905 ( 8.161 21.072 -2.933) 22.787 8.495 ( 5.757 19.829 -1.109) 20.677 9.908 ( -15.283 9.270 -2.473) 18.045 10.507 ( 13.047 3.929 -0.136) 13.626 11.648 ( -0.751 -5.552 -1.545) 5.812 13.513 ( -3.577 -30.896 8.257) 32.180 16.316 ( -6.019 -7.004 -9.635) 13.346 ======================= Grid point 1137 (407/580) ======================= q-point: ( 0.56 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 7.096 3.836 1.737) 8.251 2.947 ( 3.377 -1.924 5.115) 6.424 4.184 ( -0.591 13.995 -6.135) 15.292 5.437 ( 16.948 22.097 -1.124) 27.871 6.510 ( 11.422 14.850 0.034) 18.734 8.227 ( 14.372 7.712 -3.604) 16.704 8.823 ( 9.146 20.081 -0.842) 22.082 9.703 ( -18.463 10.760 -1.645) 21.433 10.840 ( 15.473 12.392 -1.201) 19.860 11.565 ( -2.457 -5.344 0.461) 5.900 13.165 ( -5.959 -26.536 6.010) 27.853 16.055 ( -11.237 -10.503 -7.163) 16.967 ======================= Grid point 1138 (408/580) ======================= q-point: ( 0.61 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -1.263 -5.022 3.427) 6.210 3.205 ( 13.341 8.058 0.883) 15.610 4.281 ( -0.683 10.312 -3.713) 10.981 5.905 ( 12.416 19.043 -1.173) 22.763 6.908 ( 19.350 13.168 1.238) 23.438 8.539 ( 18.896 0.217 -2.534) 19.066 9.167 ( 8.024 18.259 -0.467) 19.949 9.503 ( -17.365 12.918 -1.622) 21.704 11.212 ( 8.340 13.810 -3.288) 16.465 11.492 ( 3.264 -3.950 2.297) 5.616 12.836 ( -7.075 -20.002 4.525) 21.694 15.698 ( -14.237 -13.263 -4.861) 20.055 ======================= Grid point 1139 (409/580) ======================= q-point: ( 0.67 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -1.119 -4.078 1.492) 4.484 3.516 ( 11.988 9.830 0.699) 15.519 4.337 ( -0.803 5.239 -2.053) 5.685 6.191 ( 4.403 10.564 -0.471) 11.455 7.432 ( 22.351 17.975 1.100) 28.704 8.863 ( 20.329 -2.825 -0.623) 20.533 9.315 ( -13.886 15.875 -0.479) 21.096 9.485 ( 4.887 12.589 -1.489) 13.586 11.191 ( -8.063 -4.049 -1.615) 9.166 11.770 ( 16.079 11.282 -0.040) 19.642 12.570 ( -6.281 -12.182 3.453) 14.134 15.303 ( -13.829 -14.547 -2.745) 20.258 ======================= Grid point 1140 (410/580) ======================= q-point: ( 0.72 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -0.690 -2.574 0.053) 2.665 3.796 ( 6.882 12.739 0.733) 14.497 4.346 ( 0.469 -1.343 -1.650) 2.179 6.289 ( 0.493 2.500 0.443) 2.586 7.977 ( 14.490 25.394 0.661) 29.245 9.055 ( 0.241 -1.751 -0.977) 2.020 9.323 ( 4.543 8.902 0.756) 10.023 9.688 ( 5.176 11.772 -0.573) 12.873 10.970 ( -6.157 -13.565 -1.473) 14.970 12.092 ( 4.047 13.791 0.952) 14.405 12.428 ( 0.664 -5.869 0.610) 5.938 14.956 ( -8.772 -13.625 -0.902) 16.230 ======================= Grid point 1141 (411/580) ======================= q-point: ( 0.78 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -0.209 -0.889 -0.695) 1.148 3.971 ( -4.275 14.746 1.500) 15.427 4.345 ( 6.363 -6.959 -2.751) 9.822 6.291 ( -0.307 -1.701 1.254) 2.135 8.366 ( -4.166 30.155 0.555) 30.446 8.966 ( -3.847 -1.274 -0.982) 4.170 9.459 ( 5.355 -4.826 0.161) 7.211 9.919 ( 2.277 18.563 1.380) 18.753 10.748 ( 4.405 -22.759 -2.527) 23.319 12.173 ( -7.084 12.685 4.599) 15.240 12.449 ( 2.563 -2.650 -3.637) 5.179 14.768 ( 1.341 -9.885 0.035) 9.976 ======================= Grid point 1142 (412/580) ======================= q-point: (-0.17 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 0.153 0.675 -0.554) 0.886 3.929 ( -12.324 6.723 1.624) 14.132 4.426 ( 8.280 -2.227 -3.670) 9.326 6.266 ( -0.289 -2.858 1.773) 3.376 8.328 ( -25.790 15.406 1.196) 30.065 9.007 ( 3.859 8.686 -1.558) 9.631 9.418 ( -0.884 -10.285 0.791) 10.353 9.975 ( -11.813 5.920 0.272) 13.216 10.787 ( 20.820 -10.040 -2.789) 23.282 12.206 ( -3.026 9.301 4.566) 10.795 12.351 ( -9.141 -3.559 -2.819) 10.206 14.814 ( 12.134 -4.919 -0.649) 13.109 ======================= Grid point 1154 (413/580) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -0.000 6.189 -0.228) 6.193 2.950 ( 0.000 -5.974 7.244) 9.389 4.205 ( -0.000 15.225 -7.157) 16.823 5.061 ( -0.000 19.327 -0.535) 19.334 6.323 ( -0.000 14.681 -1.648) 14.773 7.984 ( -0.000 11.342 -4.723) 12.286 8.632 ( -0.000 19.788 -2.057) 19.894 10.263 ( -0.000 21.304 -2.729) 21.478 10.323 ( 0.000 -3.155 1.648) 3.559 11.624 ( 0.000 -1.353 1.904) 2.336 13.266 ( 0.000 -28.612 5.848) 29.203 16.265 ( -0.000 -8.990 -8.350) 12.270 ======================= Grid point 1155 (414/580) ======================= q-point: ( 0.56 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 7.262 5.416 -0.059) 9.059 2.904 ( -0.253 -5.919 5.212) 7.891 4.319 ( -0.938 13.173 -4.970) 14.111 5.357 ( 13.508 17.337 -0.582) 21.986 6.484 ( 5.044 9.520 -0.717) 10.798 8.106 ( 6.261 5.789 -4.991) 9.880 8.876 ( 6.220 19.355 -2.120) 20.440 10.090 ( -15.843 6.111 -0.065) 16.981 10.672 ( 16.228 11.172 -0.769) 19.717 11.614 ( -3.489 2.855 3.270) 5.570 12.998 ( -2.334 -23.774 4.187) 24.252 16.087 ( -6.656 -10.899 -6.845) 14.490 ======================= Grid point 1156 (415/580) ======================= q-point: ( 0.61 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -0.894 -5.075 3.480) 6.218 3.035 ( 13.153 4.979 0.439) 14.070 4.403 ( -1.878 10.633 -2.317) 11.044 5.823 ( 18.734 17.715 -0.986) 25.803 6.687 ( 12.955 2.555 -0.059) 13.205 8.294 ( 11.556 4.278 -3.268) 12.749 9.187 ( 8.701 17.146 -1.941) 19.325 9.887 ( -15.153 6.852 -0.467) 16.637 11.057 ( 18.980 6.838 -1.472) 20.228 11.560 ( -8.529 4.152 3.397) 10.076 12.759 ( -3.681 -15.966 3.542) 16.764 15.792 ( -12.228 -11.812 -5.316) 17.813 ======================= Grid point 1157 (416/580) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -1.013 -3.989 2.463) 4.796 3.339 ( 15.973 5.036 0.243) 16.749 4.444 ( -3.540 7.433 -0.202) 8.235 6.216 ( 6.850 12.993 -1.542) 14.769 7.061 ( 29.937 2.359 0.312) 30.031 8.560 ( 15.077 3.739 -0.629) 15.547 9.464 ( 6.830 12.103 -2.117) 14.058 9.712 ( -13.719 8.389 -0.734) 16.097 11.381 ( -7.550 4.906 -1.871) 9.196 11.484 ( 16.612 -0.417 2.260) 16.770 12.585 ( -4.680 -6.924 3.646) 9.118 15.424 ( -15.400 -11.042 -3.720) 19.311 ======================= Grid point 1158 (417/580) ======================= q-point: ( 0.72 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -0.709 -2.439 1.443) 2.922 3.667 ( 16.282 5.000 -0.183) 17.033 4.422 ( -5.863 3.847 1.055) 7.091 6.324 ( -1.073 3.726 -1.442) 4.137 7.705 ( 35.540 9.122 0.168) 36.692 8.840 ( 13.613 0.125 0.765) 13.635 9.563 ( -10.955 8.467 0.112) 13.846 9.674 ( 5.890 8.305 -2.684) 10.529 11.122 ( -18.568 -2.529 1.692) 18.816 11.880 ( 23.266 0.774 -3.066) 23.480 12.477 ( -5.197 -0.642 4.061) 6.626 15.053 ( -15.019 -8.344 -1.977) 17.294 ======================= Grid point 1159 (418/580) ======================= q-point: ( 0.78 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -0.150 -0.772 0.546) 0.958 3.982 ( 15.049 4.316 -0.964) 15.685 4.325 ( -8.641 0.951 1.735) 8.865 6.300 ( -2.089 -0.707 -0.864) 2.369 8.369 ( 28.283 11.736 -0.187) 30.622 8.960 ( 1.025 -4.207 0.401) 4.348 9.459 ( -6.751 2.339 0.082) 7.145 9.930 ( 14.245 11.469 -1.224) 18.329 10.730 ( -20.982 -8.341 1.509) 22.630 12.211 ( 13.439 0.899 -4.107) 14.081 12.415 ( -2.677 0.569 3.948) 4.803 14.769 ( -9.620 -3.924 -0.383) 10.396 ======================= Grid point 1160 (419/580) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 0.455 0.788 -0.000) 0.910 4.139 ( -5.235 -9.068 -0.000) 10.471 4.271 ( 6.436 11.147 0.000) 12.872 6.256 ( -1.115 -1.931 -0.000) 2.230 8.775 ( -8.245 -14.281 0.000) 16.490 8.860 ( 8.928 15.464 -0.000) 17.857 9.397 ( -0.740 -1.282 0.000) 1.480 10.274 ( -11.516 -19.946 -0.000) 23.032 10.375 ( 13.200 22.863 0.000) 26.400 12.240 ( -3.815 -6.608 0.000) 7.630 12.465 ( 2.246 3.890 -0.000) 4.492 14.675 ( 0.608 1.053 -0.000) 1.216 ======================= Grid point 1174 (420/580) ======================= q-point: ( 0.56 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -0.000 4.471 -0.057) 4.471 2.862 ( 0.000 -5.750 4.382) 7.229 4.438 ( -0.000 11.434 -3.037) 11.831 5.375 ( -0.000 12.721 -0.246) 12.724 6.517 ( -0.000 5.385 -0.983) 5.474 8.096 ( -0.000 5.936 -4.579) 7.497 9.000 ( -0.000 18.406 -2.296) 18.549 10.269 ( 0.000 -3.755 1.914) 4.214 10.606 ( -0.000 11.313 -2.320) 11.548 11.724 ( 0.000 8.948 3.876) 9.752 12.819 ( 0.000 -17.737 3.087) 18.004 16.016 ( -0.000 -11.277 -6.123) 12.832 ======================= Grid point 1175 (421/580) ======================= q-point: ( 0.61 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -0.480 -4.436 3.566) 5.712 2.889 ( 8.050 3.251 0.461) 8.694 4.526 ( -1.181 9.442 -0.509) 9.529 5.637 ( 16.917 11.289 -0.309) 20.340 6.567 ( 2.846 0.055 -1.390) 3.168 8.198 ( 5.562 7.002 -2.202) 9.209 9.219 ( 5.559 16.154 -1.961) 17.195 10.134 ( -9.771 -0.837 0.586) 9.824 10.797 ( 13.185 0.859 -2.534) 13.453 11.775 ( -6.001 8.248 3.695) 10.848 12.684 ( -1.309 -8.644 2.850) 9.196 15.832 ( -6.788 -10.476 -5.232) 13.535 ======================= Grid point 1176 (422/580) ======================= q-point: ( 0.67 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -0.790 -3.473 3.248) 4.820 3.113 ( 14.009 2.662 0.286) 14.262 4.576 ( -2.889 7.073 1.665) 7.820 6.127 ( 22.085 13.751 -1.182) 26.043 6.628 ( 11.809 -7.006 -1.236) 13.787 8.402 ( 10.024 6.982 0.760) 12.240 9.457 ( 6.102 11.035 -2.231) 12.806 9.967 ( -10.103 1.922 -0.292) 10.288 11.050 ( 20.290 -4.380 -3.979) 21.136 11.695 ( -12.132 5.012 4.346) 13.827 12.612 ( -2.665 -1.845 2.843) 4.312 15.562 ( -12.242 -7.689 -4.127) 15.034 ======================= Grid point 1177 (423/580) ======================= q-point: ( 0.72 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -0.720 -2.138 2.546) 3.402 3.404 ( 17.040 1.486 -0.116) 17.105 4.571 ( -5.306 4.523 3.002) 7.591 6.382 ( -1.273 4.759 -3.077) 5.809 7.058 ( 41.356 -1.297 0.267) 41.377 8.653 ( 11.455 3.846 2.170) 12.276 9.618 ( 4.668 5.765 -2.766) 7.917 9.821 ( -9.797 2.343 -0.279) 10.077 11.355 ( 12.385 -4.625 -5.127) 14.180 11.529 ( -4.537 3.939 4.952) 7.785 12.555 ( -3.732 -0.916 2.930) 4.832 15.258 ( -15.372 -3.000 -2.652) 15.885 ======================= Grid point 1178 (424/580) ======================= q-point: (-0.22 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -0.252 -0.790 1.581) 1.785 3.704 ( 17.270 -0.874 -0.866) 17.314 4.505 ( -7.616 3.054 3.684) 8.995 6.337 ( -3.370 -0.732 -2.739) 4.404 7.789 ( 41.511 -0.824 -0.110) 41.520 8.852 ( 8.879 0.114 1.296) 8.974 9.630 ( -10.110 -0.843 -0.457) 10.155 9.791 ( 8.273 3.701 -1.361) 9.165 11.113 ( -22.427 0.522 2.962) 22.628 11.861 ( 24.185 1.284 -4.001) 24.547 12.473 ( -4.388 -3.972 3.134) 6.697 14.985 ( -15.144 2.658 -0.848) 15.398 ======================= Grid point 1193 (425/580) ======================= q-point: ( 0.61 0.61 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 0.000 -3.826 4.055) 5.575 2.846 ( -0.000 2.495 0.382) 2.524 4.623 ( 0.000 7.763 1.727) 7.953 5.562 ( -0.000 6.365 0.064) 6.366 6.542 ( -0.000 -0.727 -2.590) 2.690 8.224 ( -0.000 8.194 0.704) 8.224 9.317 ( -0.000 14.171 -0.846) 14.196 10.186 ( 0.000 -5.473 0.634) 5.509 10.662 ( -0.000 -1.874 -5.794) 6.089 11.905 ( 0.000 4.759 4.282) 6.402 12.660 ( 0.000 -0.660 2.516) 2.602 15.784 ( -0.000 -7.955 -4.917) 9.352 ======================= Grid point 1194 (426/580) ======================= q-point: ( 0.67 0.61 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -0.548 -2.713 3.860) 4.750 2.939 ( 8.219 1.334 0.578) 8.346 4.686 ( -1.564 5.736 3.721) 7.014 5.795 ( 20.876 4.551 0.111) 21.367 6.516 ( -0.499 -2.383 -3.515) 4.276 8.353 ( 4.895 7.329 3.775) 9.588 9.472 ( 3.480 9.538 -0.287) 10.157 10.086 ( -4.882 -3.644 -0.856) 6.152 10.707 ( 11.328 -5.093 -7.566) 14.543 11.904 ( -5.786 3.091 5.431) 8.516 12.657 ( -1.985 0.764 2.116) 3.000 15.655 ( -6.481 -3.473 -4.339) 8.538 ======================= Grid point 1195 (427/580) ======================= q-point: (-0.28 -0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -0.688 -1.767 3.254) 3.767 3.141 ( 13.942 -0.085 0.321) 13.946 4.699 ( -3.706 3.254 4.803) 6.884 6.336 ( 35.720 4.263 -0.035) 35.973 6.455 ( -1.077 -4.774 -3.812) 6.204 8.534 ( 7.800 3.360 4.761) 9.737 9.594 ( 3.430 3.836 -1.220) 5.289 9.956 ( -6.679 -2.686 -1.362) 7.327 10.923 ( 21.230 -2.988 -7.149) 22.599 11.802 ( -11.805 3.050 6.222) 13.688 12.608 ( -3.423 -2.445 1.843) 4.592 15.481 ( -11.666 2.327 -3.312) 12.348 ======================= Grid point 1196 (428/580) ======================= q-point: (-0.22 -0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( -0.438 -0.934 2.210) 2.439 3.395 ( 16.456 -2.276 -0.263) 16.615 4.653 ( -5.683 1.170 5.054) 7.695 6.366 ( -2.592 -3.958 -3.743) 6.033 7.039 ( 42.256 -1.126 -0.125) 42.271 8.696 ( 8.793 -1.299 2.928) 9.358 9.682 ( 5.374 0.281 -1.341) 5.546 9.784 ( -9.162 -4.267 -0.799) 10.139 11.260 ( 15.470 -0.573 -4.141) 16.024 11.641 ( -6.756 3.511 4.295) 8.742 12.510 ( -4.350 -5.069 1.847) 6.930 15.295 ( -14.730 7.969 -1.751) 16.839 ======================= Grid point 1212 (429/580) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 0.000 -1.999 4.125) 4.584 2.876 ( 0.000 0.239 0.720) 0.758 4.762 ( 0.000 3.891 5.517) 6.751 5.628 ( 0.000 0.242 0.302) 0.387 6.499 ( -0.000 -0.718 -4.508) 4.564 8.393 ( 0.000 5.333 6.527) 8.428 9.518 ( 0.000 4.259 2.158) 4.774 10.075 ( -0.000 -4.012 -2.216) 4.583 10.539 ( -0.000 -3.471 -10.619) 11.172 11.997 ( 0.000 2.907 6.265) 6.906 12.679 ( 0.000 -2.137 1.643) 2.696 15.691 ( -0.000 2.096 -4.340) 4.819 ======================= Grid point 1213 (430/580) ======================= q-point: (-0.28 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -0.591 -1.487 3.515) 3.862 2.946 ( 7.955 -1.136 0.718) 8.068 4.787 ( -2.115 1.216 6.244) 6.704 5.807 ( 21.505 -3.694 0.445) 21.824 6.474 ( -1.064 1.009 -4.855) 5.072 8.476 ( 3.487 0.673 6.702) 7.585 9.548 ( 2.532 -3.923 1.788) 5.000 10.013 ( -3.923 -0.879 -2.782) 4.889 10.596 ( 12.303 0.584 -9.313) 15.442 11.995 ( -5.779 2.020 6.684) 9.064 12.623 ( -2.100 -5.434 1.209) 5.949 15.675 ( -6.174 7.876 -3.907) 10.743 ======================= Grid point 1214 (431/580) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -0.598 -1.227 2.377) 2.741 3.112 ( 13.137 -3.075 0.291) 13.495 4.749 ( -3.983 -1.634 5.918) 7.319 6.160 ( 21.378 -13.416 -0.523) 25.244 6.538 ( 12.021 6.507 -3.602) 14.135 8.554 ( 5.946 -3.826 3.957) 8.103 9.541 ( 4.782 -10.619 -0.245) 11.649 9.904 ( -7.629 0.275 -1.451) 7.770 10.899 ( 21.375 4.188 -5.675) 22.509 11.866 ( -11.418 -1.500 6.743) 13.345 12.533 ( -3.126 -3.555 0.727) 4.790 15.615 ( -11.237 12.457 -2.862) 17.019 ======================= Grid point 1231 (432/580) ======================= q-point: (-0.28 -0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 0.000 -1.440 3.280) 3.582 2.861 ( 0.000 -2.274 0.724) 2.387 4.824 ( 0.000 -1.720 6.632) 6.852 5.574 ( 0.000 -6.031 0.342) 6.040 6.477 ( -0.000 1.145 -4.640) 4.779 8.453 ( 0.000 -3.791 5.965) 7.068 9.443 ( 0.000 -12.957 2.320) 13.163 10.068 ( -0.000 4.654 -2.347) 5.212 10.475 ( -0.000 3.109 -8.730) 9.267 12.072 ( 0.000 -1.563 7.238) 7.404 12.587 ( 0.000 -4.418 0.458) 4.441 15.818 ( -0.000 12.612 -4.156) 13.279 ======================= Grid point 1232 (433/580) ======================= q-point: (-0.22 -0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -0.652 -1.723 2.188) 2.860 2.901 ( 7.419 -3.862 0.558) 8.382 4.787 ( -2.253 -5.253 5.699) 8.072 5.661 ( 17.750 -11.040 0.276) 20.905 6.487 ( 1.593 1.825 -3.789) 4.498 8.434 ( 3.083 -7.223 2.850) 8.355 9.324 ( 3.458 -17.727 0.367) 18.065 10.046 ( -6.983 3.834 -1.134) 8.047 10.623 ( 14.126 4.422 -4.993) 15.621 11.999 ( -5.860 -6.292 8.594) 12.157 12.565 ( -1.555 2.702 -0.873) 3.237 15.895 ( -6.042 15.709 -3.796) 17.253 ======================= Grid point 1250 (434/580) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 0.000 -2.544 1.691) 3.055 2.793 ( 0.000 -4.993 0.336) 5.004 4.749 ( 0.000 -9.435 4.280) 10.360 5.391 ( 0.000 -12.713 0.137) 12.714 6.468 ( -0.000 -1.010 -2.548) 2.741 8.324 ( 0.000 -9.989 0.220) 9.992 9.101 ( 0.000 -20.870 -0.156) 20.871 10.180 ( -0.000 6.364 0.037) 6.364 10.482 ( -0.000 -2.767 -3.673) 4.599 12.013 ( 0.000 -4.563 11.657) 12.518 12.636 ( -0.000 9.319 -3.065) 9.810 16.100 ( -0.000 17.408 -4.233) 17.915 ======================= Grid point 1385 (435/580) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.000 -0.000 28.033) 28.033 1.054 ( 0.000 -0.000 28.033) 28.033 2.330 ( 0.000 -0.000 64.548) 64.548 2.682 ( -0.000 0.000 -7.576) 7.576 2.682 ( -0.000 0.000 -7.576) 7.576 6.704 ( -0.000 0.000 -26.216) 26.216 7.355 ( 0.000 -0.000 2.262) 2.262 7.355 ( 0.000 -0.000 2.262) 2.262 10.772 ( -0.000 0.000 -1.620) 1.620 10.772 ( -0.000 0.000 -1.620) 1.620 15.391 ( 0.000 -0.000 2.107) 2.107 17.372 ( -0.000 0.000 -0.360) 0.360 ======================= Grid point 1386 (436/580) ======================= q-point: ( 0.28 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 12.064 6.965 23.327) 27.170 1.571 ( 24.043 13.881 22.108) 35.490 2.531 ( 5.185 2.994 45.475) 45.868 2.739 ( 7.538 4.352 -7.324) 11.375 3.080 ( 34.016 19.639 2.263) 39.344 5.771 ( -22.330 -12.892 -1.432) 25.824 7.394 ( 2.612 1.508 2.247) 3.761 9.559 ( 107.394 62.004 -61.666) 138.494 10.711 ( -4.680 -2.702 -2.144) 5.814 10.748 ( -1.766 -1.020 -1.642) 2.618 15.420 ( 1.036 0.598 3.172) 3.390 17.098 ( -20.490 -11.830 0.525) 23.665 ======================= Grid point 1387 (437/580) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 15.802 9.123 14.997) 23.619 2.061 ( 13.226 7.636 25.237) 29.498 2.863 ( 14.489 8.365 23.642) 28.962 2.994 ( 16.554 9.557 -5.231) 19.818 4.118 ( 52.748 30.454 3.426) 61.004 5.490 ( -4.632 -2.674 -6.909) 8.738 7.489 ( 5.206 3.006 2.019) 6.341 10.536 ( -9.206 -5.315 -2.946) 11.031 10.686 ( -3.108 -1.795 -1.630) 3.942 11.250 ( 56.469 32.602 -52.993) 84.023 15.392 ( -7.576 -4.374 12.846) 15.542 16.619 ( -17.106 -9.876 -9.965) 22.123 ======================= Grid point 1388 (438/580) ======================= q-point: ( 0.39 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 12.902 7.449 7.996) 16.908 2.381 ( 9.529 5.501 25.257) 27.549 3.271 ( 15.958 9.213 8.502) 20.294 3.452 ( 23.917 13.809 -2.204) 27.705 5.319 ( 37.873 21.866 -4.248) 43.938 5.527 ( 22.137 12.781 -2.973) 25.733 7.647 ( 8.308 4.797 1.662) 9.736 10.275 ( -12.273 -7.086 -3.466) 14.589 10.603 ( -3.615 -2.087 -1.534) 4.447 11.993 ( 22.896 13.219 -33.327) 42.540 15.082 ( -23.919 -13.810 23.558) 36.302 16.347 ( -3.315 -1.914 -20.806) 21.155 ======================= Grid point 1389 (439/580) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 10.112 5.838 3.664) 12.237 2.655 ( 8.358 4.825 20.621) 22.768 3.612 ( 13.328 7.695 -1.423) 15.455 4.026 ( 25.787 14.888 -0.428) 29.779 5.624 ( 13.470 7.777 -7.461) 17.251 6.600 ( 47.159 27.227 1.453) 54.474 7.880 ( 11.871 6.854 1.242) 13.764 9.998 ( -9.783 -5.648 -3.268) 11.760 10.518 ( -3.384 -1.954 -1.286) 4.114 12.211 ( 5.218 3.013 -22.667) 23.455 14.512 ( -30.110 -17.384 20.191) 40.206 16.265 ( -0.858 -0.495 -15.340) 15.372 ======================= Grid point 1390 (440/580) ======================= q-point: ( 0.50 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 8.199 4.734 1.409) 9.572 2.856 ( 4.471 2.582 13.809) 14.743 3.902 ( 13.781 7.957 -6.099) 17.042 4.587 ( 22.846 13.190 0.020) 26.380 5.961 ( 16.346 9.437 -3.508) 19.198 7.481 ( 27.882 16.098 0.289) 32.197 8.194 ( 15.279 8.821 0.735) 17.658 9.898 ( 3.746 2.163 -1.860) 4.708 10.443 ( -2.946 -1.701 -0.826) 3.501 12.167 ( -2.691 -1.554 -17.598) 17.870 13.874 ( -29.453 -17.004 13.465) 36.577 16.178 ( -4.331 -2.501 -6.850) 8.482 ======================= Grid point 1391 (441/580) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 6.452 3.725 0.233) 7.454 2.938 ( 0.468 0.270 6.316) 6.339 4.213 ( 14.806 8.548 -6.552) 18.308 5.048 ( 17.414 10.054 -0.079) 20.108 6.290 ( 11.707 6.759 -0.435) 13.526 7.870 ( 9.139 5.277 -0.746) 10.579 8.571 ( 17.399 10.045 0.080) 20.091 10.164 ( 16.842 9.724 0.496) 19.453 10.375 ( -3.095 -1.787 -0.144) 3.576 12.039 ( -3.343 -1.930 -13.708) 14.241 13.283 ( -24.191 -13.967 7.221) 28.852 16.026 ( -7.958 -4.595 -0.651) 9.212 ======================= Grid point 1392 (442/580) ======================= q-point: ( 0.61 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 4.556 2.631 -0.395) 5.276 2.934 ( -1.291 -0.745 0.508) 1.574 4.515 ( 12.884 7.439 -6.553) 16.256 5.375 ( 11.405 6.585 -0.259) 13.172 6.449 ( 1.907 1.101 2.469) 3.308 8.057 ( 9.942 5.740 -2.453) 11.740 8.969 ( 17.215 9.939 -0.737) 19.892 10.292 ( -4.434 -2.560 0.719) 5.171 10.474 ( 6.448 3.723 3.509) 8.231 11.992 ( 2.779 1.604 -9.367) 9.901 12.859 ( -13.091 -7.558 1.787) 15.222 15.826 ( -9.413 -5.435 2.955) 11.264 ======================= Grid point 1393 (443/580) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 2.465 1.423 -0.704) 2.933 2.893 ( -1.798 -1.038 -3.194) 3.810 4.746 ( 8.893 5.134 -6.903) 12.373 5.568 ( 5.686 3.283 -0.359) 6.576 6.434 ( -2.744 -1.584 5.114) 6.016 8.316 ( 12.604 7.277 -5.613) 15.599 9.330 ( 14.223 8.211 -1.761) 16.517 10.170 ( -6.596 -3.808 1.788) 7.824 10.461 ( -6.695 -3.865 7.886) 11.043 12.060 ( 3.435 1.983 -6.382) 7.514 12.720 ( -0.219 -0.127 -1.635) 1.655 15.645 ( -6.453 -3.726 4.716) 8.818 ======================= Grid point 1394 (444/580) ======================= q-point: (-0.28 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -1.933 -1.116 -4.749) 5.248 2.890 ( 0.234 0.135 -0.786) 0.831 4.874 ( 3.955 2.283 -6.913) 8.285 5.635 ( 0.237 0.137 -0.364) 0.456 6.403 ( -0.840 -0.485 6.218) 6.293 8.521 ( 5.506 3.179 -7.638) 9.938 9.564 ( 4.982 2.876 -2.978) 6.478 10.028 ( -4.739 -2.736 3.047) 6.264 10.347 ( -3.344 -1.931 10.668) 11.346 12.104 ( 2.577 1.488 -5.601) 6.342 12.715 ( -2.293 -1.324 -2.368) 3.552 15.603 ( 2.152 1.242 5.366) 5.914 ======================= Grid point 1395 (445/580) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -1.913 -1.104 -4.140) 4.693 2.867 ( -2.054 -1.186 -0.670) 2.465 4.879 ( -1.927 -1.113 -5.969) 6.370 5.577 ( -5.260 -3.037 -0.292) 6.081 6.435 ( 1.699 0.981 5.111) 5.475 8.499 ( -5.086 -2.937 -4.517) 7.409 9.460 ( -12.105 -6.989 -1.351) 14.042 10.051 ( 4.906 2.833 1.456) 5.850 10.403 ( 4.685 2.705 7.593) 9.323 12.131 ( -0.446 -0.258 -6.310) 6.331 12.595 ( -4.841 -2.795 -1.429) 5.769 15.777 ( 11.145 6.435 5.248) 13.899 ======================= Grid point 1404 (446/580) ======================= q-point: ( 0.28 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 16.945 21.618) 27.468 1.554 ( 0.000 30.179 20.398) 36.426 2.627 ( 0.000 1.968 38.031) 38.082 2.737 ( -0.000 10.152 -8.185) 13.040 3.080 ( 0.000 36.854 10.710) 38.379 5.766 ( 0.000 -25.510 -3.576) 25.759 7.393 ( 0.000 2.782 2.231) 3.566 9.379 ( -0.000 117.858 -54.299) 129.764 10.713 ( -0.000 -4.984 -2.130) 5.420 10.736 ( -0.000 -2.422 -1.634) 2.922 15.427 ( 0.000 1.256 3.049) 3.298 17.111 ( 0.000 -22.182 -0.089) 22.182 ======================= Grid point 1405 (447/580) ======================= q-point: ( 0.33 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 2.789 19.073 16.482) 25.361 2.036 ( 11.409 19.537 19.136) 29.632 2.825 ( 7.124 6.936 27.251) 29.008 2.911 ( 7.731 16.186 -4.427) 18.475 3.797 ( 29.264 47.262 6.806) 56.003 5.516 ( -5.096 -7.506 -6.917) 11.408 7.462 ( 2.962 4.474 2.101) 5.762 10.590 ( -3.426 -7.239 -3.756) 8.846 10.630 ( 23.444 38.615 -30.770) 54.658 10.738 ( 15.638 25.593 -22.111) 37.262 15.437 ( -0.901 -3.636 8.139) 8.959 16.749 ( -13.765 -18.463 -5.822) 23.754 ======================= Grid point 1406 (448/580) ======================= q-point: ( 0.39 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 6.633 14.777 10.218) 19.151 2.398 ( 6.786 11.789 22.646) 26.417 3.145 ( 12.473 9.482 13.425) 20.633 3.293 ( 15.580 22.414 -2.572) 27.417 4.911 ( 41.140 45.296 2.219) 61.230 5.435 ( 2.270 3.935 -8.594) 9.721 7.595 ( 5.411 6.840 1.879) 8.922 10.360 ( -9.379 -10.720 -3.290) 14.619 10.632 ( -2.154 -2.188 -1.552) 3.440 11.622 ( 28.490 27.080 -36.004) 53.304 15.289 ( -11.493 -17.391 20.235) 29.052 16.381 ( -9.435 -3.469 -18.656) 21.192 ======================= Grid point 1407 (449/580) ======================= q-point: ( 0.44 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 6.471 11.916 5.436) 14.609 2.663 ( 5.422 8.239 22.139) 24.237 3.469 ( 12.141 8.086 1.044) 14.625 3.837 ( 19.828 25.087 -0.778) 31.987 5.493 ( 9.511 10.028 -8.383) 16.165 6.163 ( 42.711 40.925 1.850) 59.182 7.797 ( 8.241 9.650 1.641) 12.796 10.064 ( -9.872 -12.165 -3.324) 16.016 10.570 ( -3.128 0.091 -1.489) 3.466 12.029 ( 12.271 6.192 -23.783) 27.469 14.825 ( -23.097 -24.791 20.832) 39.775 16.247 ( -2.130 2.741 -17.827) 18.162 ======================= Grid point 1408 (450/580) ======================= q-point: ( 0.50 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 5.260 10.927 2.568) 12.396 2.863 ( 3.533 4.099 17.226) 18.056 3.740 ( 12.194 7.862 -5.780) 15.618 4.420 ( 18.998 24.384 -0.141) 30.912 5.800 ( 14.221 13.538 -4.207) 20.080 7.198 ( 32.541 31.773 0.802) 45.487 8.077 ( 11.275 12.442 1.385) 16.848 9.822 ( -1.975 -10.490 -2.437) 10.949 10.526 ( -3.713 4.002 -1.295) 5.611 12.094 ( 2.282 -2.930 -17.889) 18.271 14.201 ( -26.687 -23.499 14.256) 38.310 16.188 ( -2.378 -1.125 -9.106) 9.478 ======================= Grid point 1409 (451/580) ======================= q-point: ( 0.56 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 3.606 10.390 0.947) 11.039 2.953 ( 0.348 0.021 9.393) 9.399 4.030 ( 14.169 8.730 -6.356) 17.815 4.940 ( 14.655 22.186 -0.148) 26.589 6.172 ( 13.026 13.249 -0.871) 18.600 7.813 ( 10.636 17.164 0.058) 20.193 8.431 ( 13.679 14.646 1.067) 20.069 9.851 ( 15.531 -6.345 -0.725) 16.793 10.527 ( -3.791 10.820 -0.662) 11.484 12.000 ( -1.393 -5.733 -14.539) 15.690 13.569 ( -25.256 -19.589 8.152) 32.985 16.074 ( -4.891 -6.160 -2.020) 8.121 ======================= Grid point 1410 (452/580) ======================= q-point: ( 0.61 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 1.694 9.619 0.015) 9.767 2.948 ( -1.385 -1.703 2.578) 3.386 4.339 ( 13.959 7.611 -5.683) 16.884 5.349 ( 8.624 20.284 -0.190) 22.042 6.442 ( 4.583 8.356 1.438) 9.638 8.019 ( 2.930 10.298 -0.731) 10.731 8.822 ( 14.232 14.921 0.521) 20.626 10.073 ( 14.736 -10.285 0.506) 17.977 10.626 ( -2.278 17.920 1.292) 18.110 11.902 ( 2.010 -4.578 -11.105) 12.179 13.038 ( -18.427 -13.310 3.095) 22.940 15.895 ( -6.637 -9.512 2.239) 11.813 ======================= Grid point 1411 (453/580) ======================= q-point: ( 0.67 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -0.740 3.581 -1.470) 3.941 2.912 ( -1.432 3.040 -0.932) 3.487 4.603 ( 11.192 4.975 -5.892) 13.591 5.635 ( 1.836 19.866 -0.163) 19.951 6.496 ( -3.729 1.806 3.712) 5.563 8.213 ( 8.063 11.224 -3.100) 14.163 9.194 ( 12.748 12.462 -0.190) 17.828 10.120 ( 3.871 -10.197 1.449) 11.003 10.687 ( -10.703 11.067 4.702) 16.098 11.938 ( 7.957 -2.532 -7.527) 11.242 12.740 ( -5.748 -4.693 -0.876) 7.472 15.695 ( -5.641 -9.963 4.309) 12.233 ======================= Grid point 1412 (454/580) ======================= q-point: ( 0.72 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( -1.576 -2.011 -4.236) 4.946 2.951 ( -2.707 7.587 -0.665) 8.083 4.777 ( 7.155 1.874 -6.403) 9.783 5.799 ( -6.099 20.311 -0.320) 21.209 6.435 ( -3.072 -1.816 5.512) 6.566 8.446 ( 7.056 8.937 -6.432) 13.077 9.476 ( 8.555 6.720 -0.822) 10.910 10.056 ( -1.549 -6.625 2.463) 7.236 10.560 ( -13.756 7.771 8.461) 17.922 12.010 ( 5.827 -3.281 -6.162) 9.093 12.697 ( 1.208 -1.554 -2.271) 3.005 15.571 ( 0.372 -6.576 4.994) 8.266 ======================= Grid point 1413 (455/580) ======================= q-point: (-0.22 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -1.337 -1.746 -4.217) 4.756 2.952 ( -4.916 6.204 -0.726) 7.949 4.843 ( 2.311 -1.393 -6.448) 6.990 5.811 ( -13.994 16.806 -0.428) 21.873 6.428 ( 1.625 -0.190 5.613) 5.846 8.535 ( -1.557 2.423 -6.521) 7.129 9.562 ( -3.964 -0.740 -1.335) 4.248 9.989 ( 1.085 -3.542 2.667) 4.565 10.516 ( -5.290 12.615 8.732) 16.229 12.051 ( 4.836 -3.910 -6.115) 8.722 12.636 ( -4.119 -4.787 -1.896) 6.594 15.636 ( 10.006 -0.977 4.799) 11.140 ======================= Grid point 1423 (456/580) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.000 14.890 12.697) 19.568 2.224 ( 0.000 25.428 16.283) 30.195 2.921 ( 0.000 8.445 26.054) 27.389 3.008 ( -0.000 21.720 -6.054) 22.548 4.103 ( -0.000 58.354 7.493) 58.834 5.467 ( -0.000 -4.863 -8.321) 9.638 7.495 ( 0.000 6.396 1.959) 6.689 10.530 ( -0.000 -7.765 -4.102) 8.782 10.661 ( -0.000 -4.146 -1.449) 4.392 10.893 ( -0.000 62.305 -42.896) 75.644 15.417 ( 0.000 -8.706 11.043) 14.062 16.658 ( -0.000 -16.955 -10.240) 19.807 ======================= Grid point 1424 (457/580) ======================= q-point: ( 0.39 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 3.042 13.230 8.553) 16.045 2.523 ( 2.513 18.001 18.186) 25.711 3.130 ( 5.740 10.685 15.146) 19.404 3.316 ( 9.346 26.608 -3.294) 28.393 4.898 ( 20.375 57.346 3.978) 60.988 5.428 ( 0.865 5.065 -9.299) 10.624 7.602 ( 3.245 8.627 1.772) 9.386 10.367 ( -5.820 -12.383 -3.379) 14.094 10.616 ( 0.144 -3.540 -1.325) 3.783 11.444 ( 15.468 34.564 -31.727) 49.402 15.285 ( -4.602 -21.606 18.580) 28.865 16.437 ( -6.519 -3.664 -18.644) 20.087 ======================= Grid point 1425 (458/580) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 5.042 12.416 5.548) 14.504 2.760 ( 1.857 11.134 20.393) 23.308 3.383 ( 8.224 10.112 1.791) 13.157 3.808 ( 15.564 29.577 -1.308) 33.447 5.450 ( 5.990 12.875 -7.986) 16.292 5.994 ( 30.585 51.785 1.821) 60.170 7.786 ( 6.108 11.599 1.700) 13.218 10.088 ( -9.527 -14.331 -3.514) 17.564 10.591 ( 0.095 -0.962 -1.356) 1.665 11.828 ( 11.907 10.440 -21.214) 26.472 14.922 ( -13.504 -30.514 19.962) 38.883 16.294 ( -4.890 4.519 -19.116) 20.242 ======================= Grid point 1426 (459/580) ======================= q-point: ( 0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 4.930 12.866 3.440) 14.201 2.921 ( 0.936 4.898 18.175) 18.846 3.618 ( 9.364 9.517 -6.408) 14.809 4.385 ( 17.089 29.742 -0.675) 34.309 5.723 ( 11.049 17.173 -4.158) 20.839 7.025 ( 31.091 44.186 0.921) 54.036 8.049 ( 8.726 14.773 1.689) 17.241 9.771 ( -8.040 -15.083 -2.992) 17.352 10.599 ( -0.106 3.880 -1.510) 4.165 11.950 ( 5.007 -2.413 -15.448) 16.417 14.381 ( -19.739 -29.707 14.638) 38.554 16.208 ( -4.092 0.904 -11.821) 12.542 ======================= Grid point 1427 (460/580) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 3.271 13.605 1.810) 14.109 2.986 ( -0.867 -0.339 11.373) 11.411 3.875 ( 11.902 9.810 -6.878) 16.887 4.945 ( 14.702 27.962 -0.695) 31.599 6.110 ( 12.658 19.218 -0.366) 23.015 7.831 ( 15.998 31.350 0.180) 35.196 8.383 ( 11.279 17.314 1.735) 20.737 9.571 ( 4.381 -13.185 -1.783) 14.008 10.665 ( 0.238 10.782 -1.350) 10.869 11.899 ( 0.552 -7.322 -12.663) 14.638 13.781 ( -21.882 -25.218 8.863) 34.545 16.082 ( -5.013 -6.087 -4.556) 9.107 ======================= Grid point 1428 (461/580) ======================= q-point: ( 0.61 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 0.774 12.388 0.642) 12.429 2.969 ( -1.878 -1.019 4.502) 4.983 4.166 ( 13.198 8.135 -5.107) 16.323 5.423 ( 10.422 25.659 -0.479) 27.699 6.476 ( 6.914 17.588 1.628) 18.968 8.156 ( -2.566 17.680 -0.249) 17.867 8.770 ( 11.966 18.302 1.695) 21.932 9.677 ( 18.689 -9.930 -0.462) 21.168 10.821 ( 1.261 17.976 -0.185) 18.021 11.787 ( 0.145 -8.016 -10.620) 13.307 13.220 ( -19.442 -18.930 4.121) 27.447 15.893 ( -5.755 -11.838 0.371) 13.168 ======================= Grid point 1429 (462/580) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -1.962 -2.809 -0.679) 3.493 3.036 ( -1.864 13.664 0.388) 13.796 4.436 ( 12.024 4.955 -4.572) 13.785 5.806 ( 5.859 24.000 0.255) 24.706 6.652 ( -5.265 12.945 2.416) 14.182 8.263 ( -0.166 14.674 -1.044) 14.712 9.140 ( 10.438 15.827 1.369) 19.009 9.872 ( 13.590 -9.937 0.476) 16.842 10.996 ( -5.475 18.236 2.481) 19.201 11.729 ( 6.455 -7.367 -8.265) 12.815 12.812 ( -10.849 -10.306 0.099) 14.964 15.671 ( -4.880 -14.567 3.046) 15.662 ======================= Grid point 1430 (463/580) ======================= q-point: ( 0.72 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( -1.706 -2.656 -3.234) 4.519 3.117 ( -4.389 13.184 -0.101) 13.896 4.637 ( 9.129 1.519 -5.030) 10.533 6.106 ( 1.727 23.644 1.240) 23.739 6.591 ( -13.846 8.810 2.833) 16.654 8.442 ( 4.060 13.431 -3.596) 14.485 9.424 ( 7.097 9.808 1.371) 12.184 9.951 ( 6.254 -7.785 1.499) 10.098 10.963 ( -16.473 14.689 5.360) 22.712 11.794 ( 10.434 -8.103 -6.371) 14.667 12.658 ( -0.507 -2.982 -2.282) 3.789 15.488 ( -0.636 -13.233 4.051) 13.853 ======================= Grid point 1431 (464/580) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -1.237 -1.925 -3.805) 4.440 3.144 ( -6.895 11.820 -0.298) 13.687 4.744 ( 5.270 -1.603 -5.656) 7.895 6.335 ( -10.385 31.664 0.384) 33.325 6.419 ( -7.590 -1.804 4.311) 8.913 8.579 ( -0.222 7.839 -5.504) 9.581 9.582 ( 2.626 4.381 1.414) 5.300 9.943 ( 0.545 -6.900 1.737) 7.136 10.860 ( -13.884 17.690 7.024) 23.559 11.856 ( 8.740 -8.791 -6.113) 13.821 12.625 ( -0.866 -4.231 -2.247) 4.868 15.449 ( 7.887 -8.275 3.895) 12.077 ======================= Grid point 1442 (465/580) ======================= q-point: ( 0.39 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 0.000 10.525 5.088) 11.690 2.736 ( 0.000 16.012 18.505) 24.470 3.236 ( 0.000 12.648 8.911) 15.471 3.497 ( -0.000 29.144 -2.916) 29.289 5.291 ( -0.000 40.622 -0.889) 40.632 5.504 ( -0.000 30.104 -5.087) 30.530 7.671 ( -0.000 10.587 1.307) 10.667 10.287 ( -0.000 -12.631 -3.576) 13.127 10.563 ( 0.000 -4.856 -0.961) 4.950 11.550 ( -0.000 25.533 -23.344) 34.596 15.130 ( 0.000 -29.208 19.282) 34.999 16.422 ( -0.000 1.799 -20.499) 20.578 ======================= Grid point 1443 (466/580) ======================= q-point: ( 0.44 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 4.523 9.876 3.194) 11.322 2.916 ( -0.414 9.318 20.091) 22.150 3.407 ( 2.934 13.828 -1.768) 14.246 3.874 ( 10.136 30.207 -1.713) 31.908 5.489 ( 2.867 14.695 -7.742) 16.855 6.158 ( 14.770 58.341 1.843) 60.210 7.824 ( 3.958 13.079 1.019) 13.702 10.086 ( -7.174 -13.074 -3.726) 15.372 10.541 ( 2.612 -3.215 -0.842) 4.227 11.729 ( 5.336 10.021 -15.342) 19.085 14.818 ( -5.880 -34.345 17.934) 39.189 16.367 ( -3.815 5.156 -18.921) 19.979 ======================= Grid point 1444 (467/580) ======================= q-point: ( 0.50 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 7.088 10.585 2.534) 12.988 3.018 ( -1.044 2.544 17.644) 17.857 3.592 ( 4.481 14.053 -8.194) 16.873 4.398 ( 15.743 29.982 -1.142) 33.883 5.732 ( 7.947 19.564 -4.250) 21.540 7.030 ( 22.649 49.754 0.766) 54.672 8.069 ( 7.318 16.064 1.025) 17.682 9.784 ( -10.956 -13.315 -3.370) 17.570 10.587 ( 4.204 1.561 -1.162) 4.632 11.813 ( 3.812 -1.609 -10.334) 11.132 14.373 ( -11.578 -33.969 13.832) 38.462 16.275 ( -5.900 1.897 -13.533) 14.885 ======================= Grid point 1445 (468/580) ======================= q-point: ( 0.56 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 6.713 11.949 2.019) 13.854 3.035 ( -1.863 -1.932 11.270) 11.585 3.800 ( 6.976 13.197 -7.697) 16.795 4.961 ( 15.972 28.378 -1.186) 32.585 6.108 ( 11.894 22.445 -0.418) 25.405 7.859 ( 21.435 38.321 -0.020) 43.908 8.388 ( 9.383 18.328 1.148) 20.622 9.466 ( -8.560 -13.042 -2.491) 15.797 10.712 ( 5.137 8.633 -1.541) 10.164 11.780 ( 1.082 -7.173 -7.965) 10.773 13.855 ( -15.417 -29.999 9.084) 34.931 16.116 ( -7.425 -4.983 -7.393) 11.603 ======================= Grid point 1446 (469/580) ======================= q-point: ( 0.61 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( -0.014 1.094 3.369) 3.542 3.036 ( 1.706 8.998 3.081) 9.662 4.040 ( 9.487 10.027 -5.027) 14.690 5.473 ( 12.976 25.190 -0.972) 28.353 6.541 ( 10.699 23.419 1.833) 25.812 8.411 ( 1.621 27.059 -0.503) 27.112 8.755 ( 12.278 18.371 1.417) 22.142 9.308 ( 8.065 -11.564 -1.232) 14.152 10.923 ( 5.815 15.388 -1.460) 16.515 11.685 ( -0.338 -7.748 -6.781) 10.302 13.330 ( -16.327 -24.041 4.923) 29.475 15.885 ( -7.889 -11.848 -2.426) 14.440 ======================= Grid point 1447 (470/580) ======================= q-point: ( 0.67 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -2.242 -4.044 0.741) 4.682 3.206 ( 0.260 15.562 0.798) 15.585 4.278 ( 10.453 5.510 -3.525) 12.331 5.887 ( 9.430 19.979 0.080) 22.092 6.896 ( 1.366 24.025 2.108) 24.156 8.510 ( -9.651 18.491 -0.596) 20.866 9.138 ( 10.245 17.003 1.549) 19.911 9.482 ( 19.722 -9.101 -0.113) 21.721 11.178 ( 5.264 15.385 -0.468) 16.267 11.595 ( -1.019 -4.113 -5.412) 6.873 12.885 ( -12.320 -16.196 1.245) 20.387 15.614 ( -6.526 -16.476 0.865) 17.742 ======================= Grid point 1448 (471/580) ======================= q-point: ( 0.72 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -1.868 -3.313 -1.841) 4.226 3.337 ( -3.551 16.100 0.397) 16.492 4.474 ( 9.590 1.128 -3.485) 10.265 6.185 ( 6.710 11.745 1.900) 13.660 7.053 ( -12.798 27.805 1.092) 30.629 8.568 ( -2.972 16.288 -1.456) 16.620 9.428 ( 6.018 11.849 1.924) 13.429 9.699 ( 14.508 -7.767 0.697) 16.471 11.346 ( -1.956 9.566 1.897) 9.947 11.542 ( 0.351 -1.706 -4.052) 4.410 12.637 ( -3.001 -6.842 -2.082) 7.756 15.368 ( -2.490 -17.400 2.537) 17.759 ======================= Grid point 1449 (472/580) ======================= q-point: ( 0.78 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -1.252 -2.109 -2.873) 3.777 3.402 ( -7.125 15.257 0.266) 16.841 4.603 ( 7.300 -2.234 -4.209) 8.718 6.352 ( 4.116 1.255 3.758) 5.713 7.060 ( -21.595 35.291 -0.113) 41.374 8.676 ( -1.527 11.590 -3.042) 12.079 9.595 ( 2.791 6.939 2.642) 7.932 9.816 ( 6.840 -7.094 0.781) 9.885 11.312 ( -12.883 12.324 4.644) 18.423 11.571 ( 8.227 -6.230 -4.601) 11.299 12.581 ( 0.568 -3.565 -3.033) 4.715 15.234 ( 5.075 -14.036 2.745) 15.176 ======================= Grid point 1461 (473/580) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -0.000 8.626 1.226) 8.713 3.041 ( 0.000 2.925 19.522) 19.740 3.529 ( -0.000 17.320 -7.337) 18.810 4.073 ( -0.000 29.529 -1.492) 29.566 5.599 ( -0.000 17.541 -6.820) 18.821 6.614 ( -0.000 56.302 1.190) 56.315 7.927 ( -0.000 14.786 0.182) 14.788 10.034 ( -0.000 -9.373 -4.071) 10.219 10.467 ( 0.000 -4.453 -0.106) 4.455 11.728 ( -0.000 4.317 -8.912) 9.903 14.565 ( 0.000 -36.292 15.158) 39.330 16.398 ( -0.000 4.395 -16.985) 17.544 ======================= Grid point 1462 (474/580) ======================= q-point: ( 0.50 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 5.896 8.451 0.727) 10.330 3.086 ( -0.892 -2.310 15.111) 15.313 3.688 ( 0.708 18.138 -9.228) 20.363 4.449 ( 10.591 28.171 -1.143) 30.118 5.809 ( 4.627 20.491 -4.333) 21.449 7.226 ( 10.815 46.320 -0.074) 47.566 8.125 ( 4.954 17.023 -0.220) 17.730 9.860 ( -9.865 -5.796 -3.658) 12.012 10.490 ( 6.388 -1.261 -0.201) 6.514 11.733 ( 1.039 -2.137 -4.296) 4.909 14.203 ( -4.948 -35.682 11.711) 37.879 16.344 ( -4.424 0.987 -13.383) 14.129 ======================= Grid point 1463 (475/580) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 9.496 9.006 0.941) 13.121 3.062 ( -1.545 -4.894 9.374) 10.687 3.856 ( 1.751 16.770 -7.492) 18.451 4.953 ( 16.015 26.631 -1.103) 31.095 6.135 ( 10.050 21.612 -1.415) 23.876 7.859 ( 17.862 31.235 -1.124) 35.999 8.424 ( 8.551 19.479 -0.200) 21.274 9.590 ( -15.101 -2.426 -2.660) 15.524 10.653 ( 9.729 6.123 -0.894) 11.530 11.690 ( -0.208 -6.158 -1.945) 6.461 13.774 ( -8.779 -32.548 8.154) 34.683 16.185 ( -8.338 -4.542 -9.093) 13.146 ======================= Grid point 1464 (476/580) ======================= q-point: ( 0.61 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 1.823 0.070 3.157) 3.646 3.047 ( 6.043 4.885 2.659) 8.213 4.032 ( 3.301 13.369 -4.665) 14.539 5.474 ( 14.963 24.158 -1.076) 28.437 6.558 ( 14.047 21.623 0.699) 25.795 8.425 ( 21.146 15.891 -1.400) 26.489 8.775 ( 8.291 20.531 0.011) 22.142 9.313 ( -14.829 1.624 -1.595) 15.003 10.923 ( 10.116 13.367 -1.595) 16.839 11.607 ( -0.614 -6.867 -1.101) 6.982 13.325 ( -11.040 -27.289 5.070) 29.871 15.924 ( -10.718 -10.529 -5.081) 15.861 ======================= Grid point 1465 (477/580) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -2.202 -4.919 1.660) 5.639 3.293 ( 7.276 12.690 0.791) 14.649 4.199 ( 4.820 8.089 -2.601) 9.769 5.904 ( 10.323 18.508 -0.462) 21.197 7.021 ( 12.983 23.251 1.366) 26.665 8.852 ( 7.242 13.395 -0.960) 15.257 9.021 ( 4.087 7.284 -0.300) 8.358 9.229 ( 4.452 9.450 -0.003) 10.446 11.179 ( 4.547 7.860 -2.213) 9.346 11.586 ( 3.483 2.964 -0.554) 4.607 12.909 ( -10.728 -20.299 2.467) 23.092 15.599 ( -10.596 -15.398 -1.822) 18.780 ======================= Grid point 1466 (478/580) ======================= q-point: ( 0.72 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -1.929 -3.824 -0.386) 4.300 3.518 ( 2.249 15.259 0.536) 15.433 4.336 ( 6.194 1.951 -1.942) 6.778 6.180 ( 5.888 9.532 0.742) 11.228 7.433 ( 4.057 28.545 0.901) 28.846 8.866 ( -12.248 17.109 -0.990) 21.065 9.308 ( 21.152 -4.719 0.261) 21.674 9.462 ( 6.232 11.610 1.117) 13.224 11.199 ( 2.625 -9.121 -2.559) 9.830 11.761 ( -0.098 18.081 1.074) 18.113 12.607 ( -5.055 -11.935 -0.594) 12.974 15.274 ( -7.192 -17.786 0.464) 19.191 ======================= Grid point 1467 (479/580) ======================= q-point: ( 0.78 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -1.311 -2.251 -1.539) 3.026 3.663 ( -3.928 16.385 0.625) 16.861 4.438 ( 7.112 -3.076 -2.517) 8.147 6.309 ( 3.048 1.183 2.008) 3.837 7.704 ( -9.794 35.316 0.214) 36.650 8.850 ( -6.382 11.767 -1.371) 13.456 9.563 ( 12.752 -5.099 0.092) 13.734 9.652 ( 3.986 9.580 2.456) 10.663 11.142 ( 7.672 -17.464 -2.969) 19.304 11.850 ( -11.371 19.726 3.827) 23.089 12.510 ( 2.188 -4.552 -3.614) 6.210 15.038 ( 0.057 -16.458 1.458) 16.522 ======================= Grid point 1480 (480/580) ======================= q-point: ( 0.50 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -0.000 7.502 -0.163) 7.504 3.091 ( 0.000 -5.456 10.736) 12.042 3.843 ( -0.000 18.743 -8.514) 20.586 4.615 ( -0.000 25.562 -0.922) 25.579 5.959 ( -0.000 20.457 -3.423) 20.741 7.540 ( -0.000 34.925 -1.663) 34.965 8.250 ( -0.000 18.059 -1.172) 18.097 9.953 ( -0.000 5.921 -3.867) 7.072 10.391 ( 0.000 -3.441 0.948) 3.570 11.696 ( 0.000 -3.421 0.523) 3.461 13.922 ( 0.000 -35.148 8.944) 36.268 16.346 ( -0.000 -1.719 -11.702) 11.827 ======================= Grid point 1481 (481/580) ======================= q-point: ( 0.56 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 6.934 7.182 -0.088) 9.984 3.048 ( -0.831 -6.643 6.764) 9.517 3.998 ( -0.211 17.413 -6.474) 18.578 4.954 ( 11.415 23.313 -0.784) 25.969 6.193 ( 5.597 18.820 -1.864) 19.723 7.878 ( 8.391 19.699 -3.059) 21.629 8.484 ( 6.063 19.414 -1.482) 20.392 9.887 ( -15.023 10.178 -2.368) 18.300 10.507 ( 12.462 3.788 0.118) 13.025 11.655 ( -1.296 -4.107 3.166) 5.345 13.576 ( -3.620 -32.459 6.262) 33.255 16.233 ( -5.558 -5.627 -9.216) 12.145 ======================= Grid point 1482 (482/580) ======================= q-point: ( 0.61 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 9.462 5.568 0.636) 10.997 2.987 ( 0.832 -4.719 3.632) 6.013 4.141 ( -0.173 14.922 -3.719) 15.379 5.429 ( 16.778 22.121 -0.833) 27.776 6.508 ( 12.053 15.202 -0.551) 19.408 8.198 ( 14.934 7.017 -3.164) 16.801 8.814 ( 9.600 19.739 -1.328) 21.990 9.690 ( -18.570 11.246 -1.313) 21.749 10.831 ( 14.958 12.157 -1.022) 19.302 11.585 ( -3.254 -4.225 3.959) 6.642 13.210 ( -6.008 -27.473 4.219) 28.437 15.995 ( -10.483 -9.748 -6.545) 15.740 ======================= Grid point 1483 (483/580) ======================= q-point: ( 0.67 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -1.782 -5.292 2.218) 6.008 3.211 ( 13.406 7.873 0.354) 15.550 4.258 ( -0.495 11.115 -1.361) 11.209 5.896 ( 12.517 18.961 -0.893) 22.738 6.914 ( 19.760 13.109 0.072) 23.713 8.520 ( 19.634 0.391 -1.703) 19.712 9.160 ( 8.601 17.837 -0.954) 19.825 9.491 ( -17.602 12.937 -1.144) 21.874 11.189 ( 8.180 13.196 -1.922) 15.644 11.517 ( 2.100 -2.827 3.474) 4.947 12.868 ( -7.240 -20.181 2.977) 21.646 15.659 ( -13.312 -13.052 -4.003) 19.068 ======================= Grid point 1484 (484/580) ======================= q-point: ( 0.72 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -1.795 -4.026 0.988) 4.517 3.520 ( 12.079 9.670 0.087) 15.473 4.328 ( -1.064 5.905 -0.050) 6.000 6.187 ( 4.908 10.347 -0.644) 11.470 7.437 ( 22.510 17.743 0.101) 28.662 8.861 ( 20.650 -2.384 0.164) 20.787 9.311 ( -14.297 16.050 -0.409) 21.498 9.473 ( 5.934 11.782 -1.345) 13.260 11.186 ( -8.635 -2.956 0.487) 9.140 11.768 ( 15.938 10.189 -0.549) 18.925 12.595 ( -7.024 -11.508 2.145) 13.652 15.283 ( -12.862 -14.690 -1.723) 19.601 ======================= Grid point 1485 (485/580) ======================= q-point: ( 0.78 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -1.333 -2.309 -0.000) 2.667 3.799 ( 7.255 12.567 -0.000) 14.511 4.338 ( -0.429 -0.743 -0.000) 0.858 6.291 ( 1.223 2.118 -0.000) 2.446 7.980 ( 14.580 25.254 -0.000) 29.161 9.051 ( -0.673 -1.166 -0.000) 1.347 9.326 ( 5.034 8.719 -0.000) 10.068 9.685 ( 6.383 11.056 -0.000) 12.766 10.963 ( -7.341 -12.715 -0.000) 14.682 12.096 ( 7.091 12.283 -0.000) 14.183 12.430 ( -2.562 -4.437 -0.000) 5.124 14.952 ( -8.038 -13.922 -0.000) 16.076 ======================= Grid point 1500 (486/580) ======================= q-point: ( 0.56 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -0.000 6.237 -0.310) 6.245 3.003 ( 0.000 -7.022 4.683) 8.440 4.152 ( -0.000 16.235 -4.815) 16.934 5.057 ( -0.000 19.467 -0.510) 19.474 6.310 ( -0.000 15.261 -1.436) 15.329 7.944 ( -0.000 10.446 -4.438) 11.350 8.614 ( -0.000 19.503 -2.049) 19.610 10.237 ( -0.000 21.711 -3.082) 21.928 10.338 ( 0.000 -2.906 1.664) 3.348 11.659 ( 0.000 -0.809 5.965) 6.020 13.311 ( 0.000 -29.853 4.299) 30.161 16.192 ( -0.000 -7.800 -8.272) 11.370 ======================= Grid point 1501 (487/580) ======================= q-point: ( 0.61 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 7.419 5.513 -0.049) 9.243 2.942 ( -0.464 -6.323 3.466) 7.226 4.287 ( -0.666 14.299 -2.351) 14.506 5.353 ( 13.351 17.422 -0.457) 21.955 6.476 ( 5.265 9.686 -1.046) 11.073 8.066 ( 6.618 5.847 -4.070) 9.724 8.858 ( 6.374 19.212 -2.010) 20.342 10.088 ( -16.330 6.952 -0.383) 17.753 10.662 ( 16.361 10.638 -1.274) 19.557 11.657 ( -3.807 2.546 6.479) 7.934 13.030 ( -2.250 -24.432 3.039) 24.723 16.027 ( -6.353 -10.049 -6.825) 13.708 ======================= Grid point 1502 (488/580) ======================= q-point: ( 0.67 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( -1.083 -4.950 2.710) 5.746 3.038 ( 13.061 4.873 0.230) 13.942 4.393 ( -1.691 11.664 0.096) 11.786 5.816 ( 18.436 17.607 -0.820) 25.506 6.682 ( 13.367 2.432 -0.953) 13.620 8.271 ( 12.135 5.159 -1.976) 13.333 9.170 ( 8.823 16.908 -1.962) 19.172 9.882 ( -15.466 7.126 -0.596) 17.039 11.039 ( 18.526 6.536 -2.338) 19.784 11.601 ( -8.657 3.500 5.898) 11.045 12.786 ( -3.528 -16.037 2.734) 16.647 15.746 ( -11.702 -11.306 -5.158) 17.070 ======================= Grid point 1503 (489/580) ======================= q-point: ( 0.72 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -1.493 -3.831 2.266) 4.695 3.339 ( 15.892 4.959 -0.083) 16.648 4.451 ( -3.624 8.281 1.742) 9.206 6.202 ( 6.904 12.475 -1.799) 14.371 7.060 ( 30.171 2.458 -0.419) 30.274 8.560 ( 15.461 4.679 0.441) 16.160 9.446 ( 7.088 11.526 -2.155) 13.701 9.705 ( -13.952 8.714 -0.763) 16.467 11.363 ( 1.935 4.501 -2.090) 5.326 11.509 ( 6.373 -0.746 3.435) 7.278 12.615 ( -4.496 -6.707 3.064) 8.636 15.393 ( -14.704 -10.777 -3.338) 18.534 ======================= Grid point 1520 (490/580) ======================= q-point: ( 0.61 0.61 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -0.000 4.623 0.089) 4.624 2.896 ( 0.000 -5.706 3.434) 6.660 4.423 ( -0.000 12.717 -0.346) 12.722 5.373 ( -0.000 12.836 -0.130) 12.836 6.506 ( -0.000 5.101 -1.563) 5.335 8.063 ( -0.000 7.075 -3.013) 7.690 8.983 ( -0.000 18.594 -1.710) 18.673 10.283 ( 0.000 -3.900 1.382) 4.138 10.579 ( -0.000 11.082 -3.689) 11.680 11.769 ( 0.000 7.829 6.526) 10.192 12.843 ( 0.000 -17.893 2.436) 18.058 15.961 ( -0.000 -10.538 -6.397) 12.328 ======================= Grid point 1521 (491/580) ======================= q-point: ( 0.67 0.61 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -0.188 -3.552 3.084) 4.707 2.895 ( 7.557 2.701 0.772) 8.062 4.532 ( -1.116 10.651 1.915) 10.880 5.635 ( 16.686 11.389 -0.167) 20.203 6.550 ( 3.058 -0.533 -2.372) 3.907 8.187 ( 5.721 8.860 -0.306) 10.551 9.204 ( 5.324 16.459 -1.352) 17.351 10.136 ( -10.267 -0.941 -0.205) 10.312 10.767 ( 13.721 -0.417 -4.076) 14.320 11.817 ( -6.053 7.570 5.869) 11.331 12.708 ( -1.220 -8.613 2.532) 9.060 15.785 ( -6.543 -9.917 -5.553) 13.115 ======================= Grid point 1523 (492/580) ======================= q-point: (-0.28 -0.39 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -1.117 -3.311 3.414) 4.886 3.115 ( 13.845 2.700 0.222) 14.107 4.599 ( -3.007 8.019 3.525) 9.262 6.117 ( 20.964 13.612 -1.237) 25.026 6.613 ( 13.051 -7.330 -2.155) 15.123 8.416 ( 9.929 8.664 2.349) 13.385 9.439 ( 5.584 11.077 -1.906) 12.551 9.962 ( -10.072 1.810 -0.986) 10.281 11.009 ( 20.526 -5.701 -5.142) 21.915 11.740 ( -12.114 5.179 5.853) 14.416 12.636 ( -2.468 -2.066 2.726) 4.218 15.525 ( -11.762 -7.266 -4.338) 14.490 ======================= Grid point 1541 (493/580) ======================= q-point: (-0.33 -0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 0.000 -3.621 4.223) 5.563 2.850 ( 0.000 2.627 0.565) 2.687 4.648 ( 0.000 8.958 3.913) 9.775 5.563 ( -0.000 6.453 0.187) 6.456 6.514 ( -0.000 -1.412 -3.778) 4.033 8.240 ( 0.000 10.515 2.801) 10.882 9.314 ( -0.000 14.964 0.047) 14.964 10.188 ( 0.000 -6.204 -0.214) 6.207 10.602 ( -0.000 -3.761 -7.670) 8.543 11.949 ( 0.000 4.831 5.859) 7.594 12.682 ( 0.000 -0.858 2.506) 2.649 15.738 ( -0.000 -7.474 -5.470) 9.261 ======================= Grid point 1542 (494/580) ======================= q-point: (-0.28 -0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -0.771 -2.688 4.282) 5.115 2.945 ( 8.110 1.393 0.679) 8.257 4.726 ( -1.725 6.635 5.323) 8.679 5.797 ( 20.751 4.725 0.224) 21.284 6.480 ( -0.290 -2.962 -4.711) 5.573 8.394 ( 4.603 9.135 5.435) 11.583 9.472 ( 2.599 10.289 0.269) 10.616 10.074 ( -4.944 -4.238 -1.722) 6.736 10.635 ( 12.369 -6.666 -8.616) 16.482 11.956 ( -5.764 3.453 6.225) 9.160 12.677 ( -1.950 0.370 2.307) 3.044 15.615 ( -6.211 -3.075 -4.938) 8.510 ======================= Grid point 1561 (495/580) ======================= q-point: (-0.28 -0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 0.000 -2.253 4.719) 5.229 2.883 ( 0.000 0.271 0.803) 0.847 4.814 ( 0.000 4.481 6.543) 7.930 5.631 ( 0.000 0.275 0.353) 0.448 6.455 ( -0.000 -0.880 -5.624) 5.692 8.455 ( 0.000 6.194 7.532) 9.752 9.539 ( 0.000 5.220 2.673) 5.865 10.054 ( -0.000 -4.940 -2.740) 5.649 10.443 ( -0.000 -3.861 -11.285) 11.927 12.052 ( 0.000 3.115 6.289) 7.018 12.695 ( 0.000 -2.534 2.093) 3.287 15.649 ( -0.000 2.430 -5.134) 5.681 ======================= Grid point 1734 (496/580) ======================= q-point: ( 0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 0.000 -0.000 26.227) 26.227 1.290 ( 0.000 -0.000 26.227) 26.227 2.608 ( -0.000 0.000 -9.451) 9.451 2.608 ( -0.000 0.000 -9.451) 9.451 2.883 ( 0.000 -0.000 62.421) 62.421 6.451 ( -0.000 0.000 -31.791) 31.791 7.375 ( 0.000 -0.000 2.288) 2.288 7.375 ( 0.000 -0.000 2.288) 2.288 10.757 ( -0.000 0.000 -1.641) 1.641 10.757 ( -0.000 0.000 -1.641) 1.641 15.410 ( 0.000 -0.000 2.095) 2.095 17.369 ( -0.000 0.000 -0.366) 0.366 ======================= Grid point 1735 (497/580) ======================= q-point: ( 0.33 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 9.346 5.396 22.957) 25.367 1.752 ( 22.874 13.206 19.522) 32.844 2.670 ( 8.297 4.790 -8.599) 12.873 2.802 ( 11.519 6.651 11.838) 17.806 3.217 ( 22.597 13.046 33.929) 42.802 5.723 ( -21.515 -12.422 -9.568) 26.622 7.413 ( 2.553 1.474 2.124) 3.634 9.109 ( 97.084 56.052 -42.607) 119.927 10.693 ( -5.055 -2.919 -1.973) 6.162 10.733 ( -1.768 -1.020 -1.638) 2.617 15.445 ( 2.200 1.270 2.650) 3.671 17.101 ( -21.196 -12.238 0.100) 24.475 ======================= Grid point 1736 (498/580) ======================= q-point: ( 0.39 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 12.663 7.311 15.122) 21.035 2.252 ( 15.594 9.003 18.619) 25.901 2.947 ( 17.920 10.346 -5.317) 21.364 3.068 ( 8.705 5.026 22.697) 24.823 4.162 ( 50.264 29.020 7.113) 58.474 5.415 ( -5.223 -3.016 -10.295) 11.931 7.506 ( 5.111 2.951 1.831) 6.179 10.511 ( -8.910 -5.144 -2.796) 10.661 10.672 ( -3.095 -1.787 -1.621) 3.924 10.835 ( 61.128 35.292 -41.876) 82.072 15.491 ( -1.569 -0.906 9.877) 10.042 16.542 ( -23.501 -13.568 -7.600) 28.181 ======================= Grid point 1737 (499/580) ======================= q-point: ( 0.44 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 10.702 6.179 7.865) 14.648 2.591 ( 9.677 5.587 22.398) 25.031 3.343 ( 10.799 6.235 8.003) 14.817 3.436 ( 24.885 14.367 -1.586) 28.779 5.273 ( 25.282 14.596 -5.889) 29.781 5.508 ( 34.626 19.991 -1.608) 40.015 7.661 ( 8.200 4.734 1.552) 9.595 10.247 ( -12.399 -7.159 -2.764) 14.582 10.590 ( -3.563 -2.057 -1.567) 4.403 11.724 ( 27.435 15.839 -28.159) 42.385 15.280 ( -23.235 -13.415 22.092) 34.754 16.169 ( -3.456 -1.995 -19.838) 20.235 ======================= Grid point 1738 (500/580) ======================= q-point: ( 0.50 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 8.947 5.166 3.617) 10.946 2.839 ( 6.282 3.627 21.333) 22.532 3.589 ( 10.732 6.196 -3.977) 13.014 4.025 ( 26.055 15.043 0.105) 30.086 5.564 ( 14.956 8.635 -6.162) 18.336 6.612 ( 46.786 27.012 1.236) 54.038 7.892 ( 11.734 6.775 1.348) 13.617 9.974 ( -9.572 -5.526 -2.190) 11.267 10.506 ( -3.260 -1.882 -1.430) 4.027 12.025 ( 7.235 4.177 -19.794) 21.485 14.668 ( -32.284 -18.639 15.184) 40.252 16.149 ( 2.271 1.311 -10.996) 11.304 ======================= Grid point 1739 (501/580) ======================= q-point: ( 0.56 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 7.591 4.383 1.464) 8.886 2.978 ( 1.210 0.698 13.780) 13.851 3.846 ( 13.646 7.879 -6.542) 17.061 4.588 ( 22.795 13.161 0.341) 26.323 5.935 ( 17.464 10.083 -2.349) 20.302 7.486 ( 27.582 15.924 0.851) 31.860 8.202 ( 15.065 8.698 1.132) 17.432 9.887 ( 4.352 2.513 -0.687) 5.072 10.435 ( -2.722 -1.572 -1.146) 3.346 12.021 ( -1.576 -0.910 -15.918) 16.022 13.969 ( -31.167 -17.994 8.346) 36.944 16.137 ( -2.127 -1.228 -2.409) 3.441 ======================= Grid point 1740 (502/580) ======================= q-point: ( 0.61 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 6.115 3.531 0.318) 7.068 2.988 ( -2.121 -1.225 5.039) 5.602 4.162 ( 14.853 8.576 -5.024) 17.872 5.048 ( 17.300 9.988 0.107) 19.976 6.288 ( 12.598 7.273 0.091) 14.547 7.870 ( 8.661 5.000 0.770) 10.030 8.574 ( 17.075 9.858 0.754) 19.731 10.172 ( 17.661 10.197 1.407) 20.442 10.371 ( -2.767 -1.597 -0.678) 3.266 11.923 ( -2.021 -1.167 -12.954) 13.162 13.330 ( -25.641 -14.804 3.662) 29.833 16.034 ( -6.774 -3.911 2.538) 8.223 ======================= Grid point 1741 (503/580) ======================= q-point: ( 0.67 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 4.370 2.523 -0.328) 5.056 2.933 ( -2.899 -1.674 -0.758) 3.432 4.465 ( 12.523 7.230 -4.864) 15.256 5.374 ( 11.322 6.537 -0.141) 13.074 6.470 ( 2.974 1.717 2.402) 4.191 8.043 ( 8.691 5.018 -0.737) 10.063 8.966 ( 16.779 9.687 0.113) 19.375 10.296 ( -4.005 -2.312 0.002) 4.624 10.507 ( 7.734 4.465 4.115) 9.833 11.911 ( 4.304 2.485 -9.185) 10.443 12.867 ( -14.406 -8.317 -0.020) 16.635 15.860 ( -8.910 -5.144 4.798) 11.352 ======================= Grid point 1742 (504/580) ======================= q-point: ( 0.72 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 2.381 1.375 -0.676) 2.831 2.862 ( -2.600 -1.501 -3.926) 4.943 4.690 ( 8.496 4.905 -5.718) 11.355 5.565 ( 5.649 3.261 -0.291) 6.529 6.477 ( -1.948 -1.124 4.685) 5.197 8.272 ( 11.004 6.353 -4.499) 13.479 9.318 ( 13.624 7.866 -0.939) 15.760 10.183 ( -6.005 -3.467 1.042) 7.012 10.532 ( -4.996 -2.884 8.283) 10.094 12.004 ( 3.953 2.282 -6.490) 7.935 12.703 ( -0.641 -0.370 -2.235) 2.354 15.690 ( -6.315 -3.646 5.426) 9.089 ======================= Grid point 1753 (505/580) ======================= q-point: ( 0.33 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.000 13.712 19.986) 24.238 1.729 ( 0.000 26.619 19.559) 33.032 2.658 ( -0.000 11.035 -9.816) 14.770 2.794 ( -0.000 17.649 3.271) 17.950 3.326 ( 0.000 17.085 42.509) 45.814 5.698 ( -0.000 -23.186 -11.976) 26.096 7.412 ( 0.000 2.721 2.128) 3.455 8.985 ( -0.000 106.572 -37.092) 112.842 10.695 ( -0.000 -5.422 -2.008) 5.782 10.723 ( -0.000 -2.396 -1.476) 2.815 15.451 ( 0.000 2.496 2.526) 3.551 17.109 ( 0.000 -23.355 -0.330) 23.357 ======================= Grid point 1754 (506/580) ======================= q-point: ( 0.39 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 1.925 15.472 15.348) 21.878 2.181 ( 12.523 19.286 14.445) 27.156 2.846 ( 8.692 17.809 -6.580) 20.881 3.054 ( 6.947 7.087 20.362) 22.651 3.892 ( 24.837 41.104 15.458) 50.452 5.436 ( -5.428 -7.518 -11.455) 14.738 7.480 ( 2.901 4.429 1.867) 5.614 10.269 ( 42.758 69.464 -38.150) 90.050 10.569 ( -5.702 -8.201 -2.399) 10.273 10.687 ( -0.617 -1.900 -2.069) 2.876 15.499 ( 1.412 0.692 6.031) 6.232 16.705 ( -16.023 -23.632 -4.344) 28.880 ======================= Grid point 1755 (507/580) ======================= q-point: ( 0.44 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 5.186 12.516 9.076) 16.307 2.570 ( 9.326 12.532 16.777) 22.924 3.244 ( 13.037 14.778 4.529) 20.220 3.293 ( 11.043 13.178 6.891) 18.523 4.935 ( 38.098 42.692 3.477) 57.325 5.354 ( 4.169 5.958 -9.958) 12.330 7.610 ( 5.335 6.857 1.606) 8.835 10.334 ( -9.418 -11.031 -2.634) 14.742 10.619 ( -2.183 -2.095 -1.402) 3.335 11.341 ( 31.455 31.660 -28.179) 52.781 15.459 ( -7.921 -13.981 18.925) 24.827 16.223 ( -12.561 -7.280 -17.750) 22.932 ======================= Grid point 1756 (508/580) ======================= q-point: ( 0.50 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 5.344 10.985 4.682) 13.082 2.851 ( 5.673 7.394 20.733) 22.731 3.468 ( 8.638 4.791 -1.281) 9.960 3.832 ( 20.285 25.246 -0.338) 32.387 5.426 ( 10.479 11.180 -6.756) 16.747 6.177 ( 42.478 40.732 1.317) 58.867 7.811 ( 8.148 9.726 1.482) 12.774 10.039 ( -9.674 -12.312 -2.278) 15.822 10.558 ( -3.133 0.116 -1.415) 3.440 11.841 ( 13.784 8.755 -19.190) 25.197 14.990 ( -25.135 -26.476 16.504) 40.064 16.107 ( 0.971 4.605 -14.014) 14.783 ======================= Grid point 1757 (509/580) ======================= q-point: ( 0.56 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 4.512 10.573 2.231) 11.710 3.013 ( 1.078 1.696 16.925) 17.044 3.682 ( 11.917 7.408 -7.302) 15.819 4.420 ( 19.143 24.148 0.222) 30.816 5.769 ( 15.213 14.741 -2.667) 21.350 7.205 ( 32.407 31.563 0.864) 45.245 8.090 ( 11.130 12.551 1.471) 16.839 9.806 ( -1.465 -10.508 -1.180) 10.675 10.515 ( -3.579 4.034 -1.314) 5.551 11.950 ( 2.722 -1.555 -15.032) 15.356 14.301 ( -28.525 -24.432 8.639) 38.538 16.129 ( 0.413 -0.117 -4.152) 4.174 ======================= Grid point 1758 (510/580) ======================= q-point: ( 0.61 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 3.137 10.233 0.848) 10.737 3.028 ( -2.392 -1.998 7.550) 8.168 3.980 ( 14.653 8.958 -4.806) 17.834 4.940 ( 14.696 21.930 0.147) 26.399 6.168 ( 13.528 14.133 -0.101) 19.564 7.818 ( 10.593 16.838 1.086) 19.922 8.442 ( 13.393 14.792 1.445) 20.006 9.849 ( 16.179 -6.442 0.193) 17.415 10.521 ( -3.384 11.098 -0.745) 11.626 11.880 ( -0.967 -4.666 -12.851) 13.706 13.621 ( -26.577 -20.166 3.843) 33.582 16.072 ( -3.172 -5.878 1.691) 6.890 ======================= Grid point 1759 (511/580) ======================= q-point: ( 0.67 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 1.399 9.504 0.027) 9.606 2.964 ( -3.258 -2.712 0.909) 4.335 4.299 ( 13.756 7.512 -3.555) 16.072 5.348 ( 8.609 20.226 0.052) 21.982 6.454 ( 5.180 8.999 1.434) 10.481 8.020 ( 2.347 9.714 0.978) 10.042 8.829 ( 13.770 15.049 1.162) 20.431 10.078 ( 14.977 -10.435 0.636) 18.265 10.638 ( -1.107 18.509 1.382) 18.593 11.808 ( 3.043 -3.536 -10.323) 11.328 13.054 ( -19.592 -13.903 0.606) 24.032 15.924 ( -5.766 -9.608 4.450) 12.057 ======================= Grid point 1760 (512/580) ======================= q-point: ( 0.72 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -1.813 0.282 -2.250) 2.903 2.903 ( -1.679 5.914 -1.033) 6.234 4.559 ( 10.607 4.792 -4.151) 12.357 5.635 ( 1.700 19.998 0.006) 20.070 6.526 ( -2.797 2.143 3.192) 4.755 8.192 ( 6.470 10.392 -1.540) 12.338 9.196 ( 12.123 12.689 0.616) 17.560 10.131 ( 4.236 -9.822 0.923) 10.736 10.728 ( -8.935 11.400 4.718) 15.233 11.874 ( 8.862 -1.936 -7.105) 11.522 12.727 ( -6.504 -5.114 -1.888) 8.486 15.737 ( -5.295 -10.224 5.257) 12.657 ======================= Grid point 1772 (513/580) ======================= q-point: ( 0.39 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 0.000 11.467 10.261) 15.388 2.348 ( 0.000 25.465 12.253) 28.259 2.953 ( -0.000 23.573 -6.319) 24.405 3.128 ( 0.000 7.088 20.661) 21.843 4.190 ( 0.000 52.525 12.658) 54.029 5.377 ( -0.000 -4.750 -12.164) 13.059 7.511 ( 0.000 6.241 1.698) 6.467 10.473 ( -0.000 19.009 -12.422) 22.708 10.594 ( -0.000 39.912 -22.205) 45.673 10.650 ( -0.000 -4.066 -1.112) 4.215 15.504 ( 0.000 -2.590 8.790) 9.164 16.576 ( -0.000 -24.157 -8.458) 25.595 ======================= Grid point 1773 (514/580) ======================= q-point: ( 0.44 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 3.123 10.733 6.341) 12.851 2.655 ( 3.931 20.135 11.994) 23.764 3.256 ( 4.247 10.911 10.302) 15.595 3.295 ( 8.884 21.012 1.559) 22.866 4.940 ( 18.673 54.087 5.600) 57.493 5.339 ( 1.759 7.033 -11.090) 13.250 7.616 ( 3.301 8.476 1.404) 9.204 10.340 ( -5.836 -12.716 -2.795) 14.267 10.606 ( 0.065 -3.397 -0.963) 3.531 11.206 ( 16.409 39.891 -22.774) 48.777 15.442 ( -2.889 -17.849 17.648) 25.266 16.277 ( -7.835 -8.072 -18.158) 21.360 ======================= Grid point 1774 (515/580) ======================= q-point: ( 0.50 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 4.916 11.196 3.959) 12.852 2.923 ( 3.226 12.356 16.650) 20.984 3.394 ( 4.917 4.168 0.533) 6.468 3.797 ( 16.087 29.792 -1.176) 33.878 5.385 ( 6.474 13.569 -6.537) 16.394 6.008 ( 30.544 51.924 1.345) 60.256 7.799 ( 6.212 11.520 1.276) 13.151 10.061 ( -9.370 -14.572 -2.601) 17.518 10.581 ( -0.059 -0.940 -1.057) 1.415 11.669 ( 12.344 13.987 -14.936) 23.897 15.085 ( -14.555 -32.479 17.046) 39.463 16.136 ( -2.859 6.399 -16.787) 18.191 ======================= Grid point 1775 (516/580) ======================= q-point: ( 0.56 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 4.554 12.400 2.411) 13.428 3.077 ( -0.314 2.582 17.266) 17.461 3.553 ( 9.086 8.406 -8.594) 15.069 4.381 ( 17.316 29.467 -0.407) 34.180 5.693 ( 12.113 18.561 -2.604) 22.316 7.032 ( 30.936 43.921 0.674) 53.727 8.062 ( 8.835 14.754 1.346) 17.250 9.750 ( -7.651 -15.238 -1.786) 17.144 10.587 ( -0.167 3.832 -1.205) 4.020 11.834 ( 4.590 -0.282 -11.131) 12.043 14.487 ( -21.484 -30.859 9.436) 38.767 16.123 ( -1.194 1.946 -7.364) 7.710 ======================= Grid point 1776 (517/580) ======================= q-point: ( 0.61 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 2.848 13.428 1.204) 13.779 3.075 ( -3.056 -2.867 8.629) 9.593 3.821 ( 12.846 10.296 -5.232) 17.274 4.941 ( 14.871 27.596 -0.265) 31.349 6.110 ( 13.200 20.253 0.274) 24.176 7.834 ( 16.024 31.003 0.575) 34.904 8.398 ( 11.381 17.372 1.605) 20.831 9.560 ( 4.919 -13.323 -0.632) 14.216 10.655 ( 0.461 10.762 -1.018) 10.820 11.801 ( -0.095 -5.735 -9.793) 11.349 13.838 ( -23.245 -25.661 4.202) 34.878 16.059 ( -2.783 -6.061 -0.679) 6.704 ======================= Grid point 1777 (518/580) ======================= q-point: ( 0.67 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 0.394 12.387 0.275) 12.396 2.999 ( -3.492 -2.308 2.251) 4.752 4.131 ( 13.411 8.179 -2.659) 15.932 5.421 ( 10.639 25.555 -0.010) 27.681 6.490 ( 7.038 18.190 1.418) 19.556 8.159 ( -2.459 17.174 1.059) 17.381 8.786 ( 11.846 18.365 1.780) 21.927 9.676 ( 19.076 -10.083 0.194) 21.577 10.820 ( 2.081 18.185 0.142) 18.304 11.701 ( -0.134 -6.634 -8.975) 11.161 13.241 ( -20.511 -19.262 0.932) 28.153 15.908 ( -4.377 -12.260 2.963) 13.351 ======================= Grid point 1778 (519/580) ======================= q-point: ( 0.72 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -3.057 -3.197 -1.745) 4.755 3.038 ( -2.163 13.641 0.091) 13.812 4.405 ( 11.585 4.800 -2.510) 12.789 5.809 ( 5.994 24.401 0.574) 25.133 6.670 ( -4.918 12.941 1.763) 13.956 8.260 ( -0.924 13.963 0.458) 14.001 9.153 ( 10.214 15.996 1.767) 19.061 9.876 ( 13.922 -9.911 0.611) 17.100 11.018 ( -4.332 18.728 2.579) 19.395 11.660 ( 6.947 -6.421 -7.452) 12.042 12.805 ( -11.754 -10.791 -1.519) 16.028 15.704 ( -4.195 -15.118 4.388) 16.291 ======================= Grid point 1791 (520/580) ======================= q-point: ( 0.44 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 0.000 8.821 2.966) 9.306 2.868 ( 0.000 20.045 11.479) 23.099 3.318 ( 0.000 3.517 9.629) 10.252 3.471 ( -0.000 30.110 -2.846) 30.244 5.271 ( -0.000 22.872 -3.777) 23.182 5.472 ( -0.000 47.357 -2.204) 47.408 7.681 ( -0.000 10.285 0.884) 10.322 10.258 ( -0.000 -13.035 -3.067) 13.391 10.557 ( 0.000 -4.675 -0.478) 4.699 11.383 ( -0.000 30.461 -14.881) 33.902 15.295 ( 0.000 -29.052 18.640) 34.518 16.244 ( -0.000 1.267 -20.436) 20.475 ======================= Grid point 1792 (521/580) ======================= q-point: ( 0.50 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 4.938 8.890 1.589) 10.293 3.075 ( -0.114 12.386 15.885) 20.144 3.384 ( 1.666 6.039 -3.333) 7.096 3.859 ( 10.424 30.607 -1.703) 32.378 5.426 ( 3.455 15.608 -6.496) 17.256 6.173 ( 14.594 57.987 1.481) 59.814 7.831 ( 4.146 12.752 0.506) 13.419 10.057 ( -7.007 -13.362 -3.038) 15.391 10.535 ( 2.373 -3.081 -0.376) 3.907 11.626 ( 5.095 13.552 -8.267) 16.672 14.965 ( -6.291 -36.499 15.407) 40.114 16.208 ( -2.809 7.230 -17.172) 18.843 ======================= Grid point 1793 (522/580) ======================= q-point: ( 0.56 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 7.438 10.062 1.344) 12.585 3.163 ( -2.040 -0.399 15.362) 15.502 3.512 ( 4.679 13.815 -9.860) 17.606 4.388 ( 15.893 29.938 -0.959) 33.908 5.700 ( 9.026 20.721 -2.976) 22.797 7.035 ( 22.516 49.245 0.438) 54.150 8.075 ( 7.630 15.764 0.431) 17.518 9.759 ( -10.645 -13.460 -2.372) 17.324 10.579 ( 3.920 1.567 -0.665) 4.273 11.746 ( 2.870 0.796 -4.881) 5.718 14.476 ( -12.638 -35.519 9.666) 38.920 16.170 ( -3.846 3.281 -10.284) 11.459 ======================= Grid point 1794 (523/580) ======================= q-point: ( 0.61 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 6.708 11.774 1.045) 13.591 3.118 ( -3.161 -4.640 7.208) 9.137 3.742 ( 7.874 14.101 -5.279) 16.991 4.953 ( 16.048 28.173 -0.663) 32.430 6.106 ( 12.792 23.172 -0.192) 26.469 7.859 ( 21.508 37.905 -0.016) 43.582 8.395 ( 9.768 18.030 0.607) 20.515 9.449 ( -8.132 -13.129 -1.318) 15.499 10.702 ( 5.016 8.524 -0.879) 9.929 11.727 ( -0.289 -5.250 -4.039) 6.630 13.916 ( -16.556 -30.627 4.803) 35.145 16.065 ( -5.252 -4.785 -4.046) 8.176 ======================= Grid point 1795 (524/580) ======================= q-point: ( 0.67 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 0.279 3.391 0.973) 3.539 3.058 ( 0.117 5.462 1.771) 5.743 4.008 ( 9.981 10.290 -2.130) 14.492 5.467 ( 13.201 25.124 -0.293) 28.383 6.554 ( 11.109 23.711 1.099) 26.207 8.410 ( 1.802 26.646 0.213) 26.708 8.766 ( 12.721 18.007 1.034) 22.071 9.301 ( 8.474 -11.574 -0.286) 14.347 10.914 ( 6.113 15.137 -0.579) 16.335 11.637 ( -1.665 -5.888 -4.333) 7.498 13.358 ( -17.339 -24.195 1.441) 29.802 15.875 ( -6.141 -12.340 0.248) 13.786 ======================= Grid point 1796 (525/580) ======================= q-point: ( 0.72 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -3.188 -4.336 -0.758) 5.435 3.211 ( 0.100 15.536 0.262) 15.538 4.257 ( 10.285 5.458 -1.188) 11.704 5.890 ( 9.869 20.221 0.518) 22.507 6.910 ( 1.349 23.904 1.075) 23.966 8.510 ( -9.609 17.900 0.600) 20.325 9.150 ( 10.602 16.689 1.332) 19.816 9.484 ( 19.953 -8.953 0.547) 21.876 11.178 ( 6.493 14.238 0.563) 15.659 11.552 ( -2.135 -1.426 -4.450) 5.138 12.886 ( -13.349 -16.403 -1.023) 21.173 15.630 ( -5.393 -17.188 2.617) 18.204 ======================= Grid point 1811 (526/580) ======================= q-point: ( 0.50 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -0.000 8.115 0.037) 8.115 3.203 ( 0.000 0.856 17.246) 17.267 3.451 ( -0.000 15.400 -10.608) 18.700 4.060 ( -0.000 29.900 -1.554) 29.940 5.546 ( -0.000 18.782 -5.292) 19.513 6.623 ( -0.000 55.437 0.759) 55.442 7.926 ( -0.000 14.350 -0.292) 14.353 10.001 ( -0.000 -9.658 -3.470) 10.263 10.468 ( 0.000 -4.168 0.400) 4.188 11.680 ( -0.000 7.106 -2.159) 7.426 14.685 ( 0.000 -38.468 12.199) 40.356 16.257 ( -0.000 6.530 -15.027) 16.384 ======================= Grid point 1812 (527/580) ======================= q-point: ( 0.56 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 6.264 8.192 -0.113) 10.313 3.197 ( -1.276 -5.881 9.574) 11.308 3.610 ( 0.913 19.299 -7.679) 20.791 4.439 ( 10.647 28.352 -1.102) 30.305 5.776 ( 5.200 21.449 -3.066) 22.282 7.224 ( 10.843 45.324 -0.409) 46.605 8.121 ( 5.188 16.590 -0.714) 17.397 9.831 ( -9.508 -5.778 -2.912) 11.501 10.491 ( 5.947 -1.130 0.292) 6.060 11.721 ( 0.320 -0.084 1.403) 1.442 14.291 ( -5.319 -37.381 8.305) 38.660 16.237 ( -3.506 2.518 -11.096) 11.906 ======================= Grid point 1813 (528/580) ======================= q-point: ( 0.61 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 9.858 8.854 0.238) 13.252 3.122 ( -2.059 -6.734 4.101) 8.149 3.804 ( 2.264 17.653 -4.075) 18.258 4.945 ( 16.005 26.646 -0.725) 31.092 6.124 ( 10.796 22.094 -1.202) 24.620 7.849 ( 18.148 30.296 -1.108) 35.333 8.420 ( 8.926 19.102 -0.792) 21.099 9.570 ( -14.799 -2.210 -1.744) 15.064 10.648 ( 9.353 6.044 -0.258) 11.139 11.692 ( -1.545 -4.490 2.422) 5.331 13.831 ( -9.345 -33.494 4.707) 35.090 16.115 ( -6.898 -3.945 -6.717) 10.405 ======================= Grid point 1814 (529/580) ======================= q-point: ( 0.67 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 3.067 1.792 0.945) 3.676 3.063 ( 4.368 2.416 0.772) 5.051 4.005 ( 3.721 13.860 -1.434) 14.422 5.468 ( 15.031 24.109 -0.418) 28.414 6.560 ( 14.667 21.699 -0.222) 26.191 8.414 ( 21.659 15.222 -0.888) 26.488 8.773 ( 8.716 20.265 -0.543) 22.066 9.303 ( -14.530 1.697 -0.687) 14.645 10.913 ( 9.950 13.064 -0.537) 16.430 11.610 ( -2.226 -5.297 1.729) 6.000 13.356 ( -11.684 -27.518 1.979) 29.961 15.889 ( -9.162 -10.710 -2.881) 14.386 ======================= Grid point 1815 (530/580) ======================= q-point: ( 0.72 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -2.849 -4.935 -0.000) 5.698 3.297 ( 7.285 12.617 -0.000) 14.569 4.187 ( 4.801 8.315 -0.000) 9.602 5.902 ( 10.657 18.458 -0.000) 21.314 7.027 ( 13.313 23.059 -0.000) 26.626 8.848 ( 7.564 13.101 -0.000) 15.128 9.020 ( 4.107 7.114 -0.000) 8.215 9.229 ( 5.310 9.198 -0.000) 10.621 11.169 ( 4.381 7.587 -0.000) 8.761 11.583 ( 2.455 4.252 -0.000) 4.909 12.919 ( -11.586 -20.068 -0.000) 23.172 15.591 ( -9.234 -15.994 -0.000) 18.468 ======================= Grid point 1831 (531/580) ======================= q-point: ( 0.56 0.56 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -0.000 7.493 -0.644) 7.520 3.160 ( 0.000 -7.420 4.426) 8.640 3.781 ( -0.000 19.528 -5.125) 20.189 4.606 ( -0.000 25.785 -0.933) 25.802 5.934 ( -0.000 21.200 -2.247) 21.318 7.525 ( -0.000 33.602 -1.824) 33.651 8.239 ( -0.000 17.657 -1.425) 17.715 9.922 ( -0.000 6.049 -3.208) 6.847 10.400 ( 0.000 -3.160 1.234) 3.392 11.723 ( 0.000 -1.979 5.599) 5.938 13.988 ( 0.000 -36.645 5.940) 37.123 16.251 ( -0.000 -0.422 -9.923) 9.932 ======================= Grid point 1832 (532/580) ======================= q-point: ( 0.61 0.56 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 7.146 7.234 -0.390) 10.176 3.086 ( -0.971 -7.270 1.863) 7.567 3.957 ( 0.119 18.087 -2.838) 18.309 4.948 ( 11.393 23.446 -0.647) 26.076 6.179 ( 5.829 19.246 -1.358) 20.155 7.853 ( 8.676 18.582 -2.738) 20.690 8.470 ( 6.234 19.119 -1.669) 20.178 9.868 ( -14.607 10.771 -1.892) 18.247 10.510 ( 11.921 3.486 0.427) 12.428 11.701 ( -1.994 -3.184 7.184) 8.107 13.620 ( -3.752 -33.454 3.581) 33.853 16.159 ( -4.943 -4.843 -7.675) 10.334 ======================= Grid point 1833 (533/580) ======================= q-point: ( 0.67 0.56 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 10.276 6.149 0.128) 11.976 3.006 ( -0.058 -5.193 0.738) 5.246 4.122 ( 0.179 15.561 -0.529) 15.571 5.423 ( 16.732 22.085 -0.443) 27.711 6.501 ( 12.332 15.325 -1.049) 19.699 8.174 ( 15.531 6.588 -2.265) 17.022 8.801 ( 9.890 19.518 -1.653) 21.943 9.681 ( -18.494 11.494 -0.812) 21.790 10.823 ( 14.699 11.620 -0.594) 18.747 11.632 ( -4.372 -3.558 6.777) 8.815 13.237 ( -6.177 -27.783 1.895) 28.524 15.944 ( -9.514 -9.529 -5.105) 14.401 ======================= Grid point 1851 (534/580) ======================= q-point: ( 0.61 0.61 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -0.000 6.415 -0.357) 6.425 3.028 ( 0.000 -6.809 1.094) 6.896 4.125 ( -0.000 17.014 -1.348) 17.068 5.053 ( -0.000 19.636 -0.421) 19.640 6.299 ( -0.000 15.456 -1.070) 15.493 7.909 ( -0.000 9.914 -3.570) 10.537 8.598 ( -0.000 19.398 -1.800) 19.481 10.211 ( -0.000 21.639 -2.879) 21.830 10.352 ( 0.000 -2.834 1.485) 3.199 11.726 ( 0.000 -0.786 9.155) 9.189 13.340 ( 0.000 -30.517 2.217) 30.597 16.123 ( -0.000 -7.129 -7.240) 10.161 ======================= Grid point 1853 (535/580) ======================= q-point: (-0.33 -0.39 -0.72) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 7.510 5.700 -0.038) 9.428 2.963 ( -0.622 -5.719 1.241) 5.885 4.280 ( -0.463 15.170 0.703) 15.194 5.350 ( 13.248 17.503 -0.275) 21.954 6.466 ( 5.315 9.511 -1.291) 10.972 8.036 ( 6.952 6.242 -2.658) 9.714 8.842 ( 6.347 19.249 -1.677) 20.338 10.084 ( -16.560 7.527 -0.597) 18.200 10.650 ( 16.485 9.589 -1.423) 19.124 11.725 ( -4.182 1.893 8.814) 9.937 13.050 ( -2.218 -24.509 1.454) 24.652 15.970 ( -5.935 -9.653 -6.020) 12.831 ======================= Grid point 1872 (536/580) ======================= q-point: (-0.33 -0.33 -0.72) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -0.000 4.824 0.222) 4.829 2.921 ( 0.000 -4.854 2.133) 5.302 4.432 ( -0.000 13.753 2.444) 13.968 5.373 ( -0.000 12.958 0.005) 12.958 6.490 ( -0.000 4.435 -2.065) 4.893 8.044 ( -0.000 8.505 -1.157) 8.583 8.971 ( -0.000 18.932 -0.955) 18.956 10.292 ( 0.000 -4.203 0.720) 4.264 10.544 ( -0.000 10.215 -4.249) 11.064 11.835 ( 0.000 6.508 8.277) 10.529 12.860 ( 0.000 -17.547 1.431) 17.605 15.907 ( -0.000 -10.184 -5.964) 11.802 ======================= Grid point 2084 (537/580) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.000 -0.000 24.023) 24.023 1.509 ( 0.000 -0.000 24.023) 24.023 2.518 ( -0.000 0.000 -11.201) 11.201 2.518 ( -0.000 0.000 -11.201) 11.201 3.414 ( 0.000 -0.000 59.540) 59.540 6.152 ( -0.000 0.000 -36.602) 36.602 7.394 ( 0.000 -0.000 2.034) 2.034 7.394 ( 0.000 -0.000 2.034) 2.034 10.744 ( -0.000 0.000 -1.460) 1.460 10.744 ( -0.000 0.000 -1.460) 1.460 15.427 ( 0.000 -0.000 1.834) 1.834 17.366 ( -0.000 0.000 -0.327) 0.327 ======================= Grid point 2085 (538/580) ======================= q-point: ( 0.39 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 7.196 4.155 21.319) 22.881 1.909 ( 20.396 11.776 16.431) 28.717 2.591 ( 9.445 5.453 -9.511) 14.471 2.811 ( 24.611 14.209 -4.805) 28.822 3.591 ( 6.071 3.505 46.515) 47.041 5.605 ( -18.244 -10.533 -17.294) 27.256 7.430 ( 2.487 1.436 1.736) 3.356 8.804 ( 87.848 50.719 -28.132) 105.266 10.678 ( -5.306 -3.063 -1.606) 6.334 10.720 ( -1.787 -1.032 -1.430) 2.510 15.466 ( 2.901 1.675 2.071) 3.938 17.101 ( -21.592 -12.466 -0.065) 24.933 ======================= Grid point 2086 (539/580) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 9.678 5.588 13.570) 17.579 2.386 ( 17.321 10.000 12.280) 23.470 2.903 ( 19.654 11.347 -4.742) 23.185 3.242 ( 8.351 4.821 16.459) 19.076 4.246 ( 43.707 25.234 12.262) 51.937 5.313 ( -4.558 -2.632 -12.948) 13.977 7.520 ( 5.053 2.917 1.412) 6.003 10.476 ( 14.156 8.173 -10.440) 19.395 10.536 ( 40.303 23.269 -21.679) 51.340 10.658 ( -3.114 -1.798 -1.409) 3.862 15.564 ( 3.717 2.146 6.893) 8.120 16.487 ( -29.002 -16.744 -5.102) 33.875 ======================= Grid point 2087 (540/580) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 8.752 5.053 6.739) 12.147 2.763 ( 12.075 6.972 16.908) 21.916 3.406 ( 4.778 2.759 6.278) 8.358 3.425 ( 25.808 14.901 -0.700) 29.809 5.224 ( 16.598 9.583 -4.952) 19.796 5.496 ( 43.519 25.126 -1.199) 50.266 7.673 ( 8.183 4.724 1.249) 9.531 10.228 ( -12.413 -7.166 -1.693) 14.433 10.576 ( -3.568 -2.060 -1.408) 4.354 11.508 ( 30.328 17.510 -21.187) 40.930 15.465 ( -24.530 -14.162 20.040) 34.697 16.004 ( -1.678 -0.969 -17.954) 18.059 ======================= Grid point 2088 (541/580) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 7.963 4.597 3.127) 9.712 3.022 ( 5.015 2.896 20.377) 21.184 3.541 ( 8.518 4.918 -7.255) 12.221 4.028 ( 26.216 15.136 0.636) 30.279 5.520 ( 16.257 9.386 -3.750) 19.143 6.621 ( 46.685 26.953 0.859) 53.914 7.903 ( 11.727 6.771 1.292) 13.603 9.961 ( -9.304 -5.372 -0.765) 10.771 10.494 ( -3.219 -1.859 -1.402) 3.973 11.870 ( 8.407 4.854 -15.675) 18.438 14.770 ( -34.513 -19.926 8.125) 40.672 16.081 ( 5.336 3.080 -4.265) 7.493 ======================= Grid point 2089 (542/580) ======================= q-point: ( 0.61 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 7.066 4.079 1.338) 8.268 3.089 ( -2.426 -1.401 11.136) 11.483 3.793 ( 14.656 8.462 -5.347) 17.748 4.592 ( 22.681 13.095 0.623) 26.198 5.921 ( 18.245 10.534 -0.861) 21.085 7.496 ( 27.687 15.985 1.356) 31.999 8.213 ( 14.990 8.654 1.399) 17.365 9.887 ( 4.834 2.791 0.680) 5.623 10.424 ( -2.603 -1.503 -1.335) 3.289 11.893 ( -1.004 -0.579 -13.361) 13.411 14.019 ( -32.229 -18.608 3.003) 37.336 16.137 ( -0.587 -0.339 2.401) 2.494 ======================= Grid point 2090 (543/580) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 5.804 3.351 0.361) 6.711 3.022 ( -4.453 -2.571 2.479) 5.709 4.129 ( 14.945 8.628 -2.270) 17.406 5.050 ( 17.158 9.906 0.281) 19.814 6.291 ( 13.178 7.608 0.606) 15.228 7.883 ( 8.463 4.886 2.278) 10.034 8.584 ( 16.866 9.738 1.349) 19.522 10.188 ( 18.327 10.581 2.257) 21.283 10.363 ( -2.544 -1.468 -1.141) 3.151 11.816 ( -1.124 -0.649 -11.462) 11.535 13.348 ( -26.385 -15.233 0.452) 30.470 16.068 ( -6.162 -3.558 5.276) 8.858 ======================= Grid point 2103 (544/580) ======================= q-point: ( 0.39 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.000 10.479 17.236) 20.172 1.890 ( 0.000 22.841 17.280) 28.641 2.568 ( -0.000 12.329 -10.756) 16.361 2.776 ( -0.000 28.630 -4.943) 29.054 3.723 ( 0.000 3.088 45.990) 46.094 5.560 ( -0.000 -18.436 -19.417) 26.775 7.429 ( 0.000 2.681 1.763) 3.209 8.723 ( -0.000 97.120 -23.692) 99.968 10.679 ( -0.000 -5.794 -1.653) 6.026 10.711 ( -0.000 -2.350 -1.136) 2.610 15.471 ( 0.000 3.287 1.905) 3.799 17.106 ( 0.000 -24.171 -0.372) 24.174 ======================= Grid point 2104 (545/580) ======================= q-point: ( 0.44 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 1.500 11.619 12.516) 17.144 2.288 ( 12.178 18.413 9.911) 24.199 2.789 ( 10.262 19.586 -6.240) 22.975 3.183 ( 11.094 15.140 9.684) 21.120 4.062 ( 17.045 28.826 22.367) 40.271 5.320 ( -4.720 -6.248 -14.750) 16.699 7.494 ( 2.811 4.416 1.397) 5.418 9.992 ( 42.885 71.239 -25.394) 86.942 10.551 ( -5.654 -8.700 -1.781) 10.527 10.673 ( -1.111 -2.577 -1.236) 3.067 15.543 ( 3.058 4.037 4.058) 6.490 16.674 ( -17.557 -27.637 -2.924) 32.873 ======================= Grid point 2105 (546/580) ======================= q-point: ( 0.50 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 4.208 10.282 6.879) 13.067 2.688 ( 12.166 13.833 10.257) 21.085 3.243 ( 17.699 23.676 -1.195) 29.584 3.387 ( 3.299 1.414 10.470) 11.068 4.974 ( 34.069 39.004 5.510) 52.081 5.264 ( 7.214 8.903 -10.472) 15.523 7.622 ( 5.308 6.896 1.125) 8.775 10.315 ( -9.335 -11.295 -1.646) 14.745 10.608 ( -2.275 -1.988 -1.075) 3.207 11.136 ( 32.840 34.734 -18.872) 51.392 15.618 ( -2.941 -8.645 17.410) 19.660 16.073 ( -17.052 -13.034 -16.420) 27.024 ======================= Grid point 2106 (547/580) ======================= q-point: ( 0.56 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 4.618 10.070 3.472) 11.610 3.018 ( 7.950 8.176 17.134) 20.582 3.444 ( 4.175 1.059 -4.267) 6.063 3.831 ( 20.775 25.230 0.220) 32.683 5.379 ( 11.418 12.043 -3.764) 17.017 6.186 ( 42.420 40.747 0.622) 58.823 7.822 ( 8.184 9.806 1.135) 12.823 10.025 ( -9.366 -12.451 -0.919) 15.607 10.546 ( -3.221 0.161 -1.145) 3.422 11.699 ( 14.195 10.635 -13.334) 22.190 15.103 ( -28.335 -28.178 8.921) 40.944 16.014 ( 5.175 6.316 -6.621) 10.512 ======================= Grid point 2107 (548/580) ======================= q-point: ( 0.61 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 4.032 10.182 1.668) 11.077 3.149 ( -1.986 -1.216 13.575) 13.773 3.617 ( 13.295 8.285 -7.111) 17.203 4.424 ( 19.251 23.873 0.591) 30.674 5.754 ( 15.900 15.515 -0.728) 22.227 7.212 ( 32.593 31.536 0.826) 45.359 8.102 ( 11.170 12.653 1.378) 16.934 9.802 ( -0.983 -10.620 0.277) 10.669 10.504 ( -3.572 4.132 -1.134) 5.578 11.835 ( 2.436 -0.502 -11.259) 11.531 14.349 ( -29.887 -24.719 2.377) 38.858 16.118 ( 2.683 0.115 1.633) 3.143 ======================= Grid point 2108 (549/580) ======================= q-point: ( 0.67 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 2.823 10.029 0.653) 10.439 3.078 ( -4.727 -3.723 3.573) 6.998 3.951 ( 15.350 9.258 -1.536) 17.991 4.943 ( 14.683 21.724 0.425) 26.224 6.170 ( 13.773 14.628 0.674) 20.103 7.832 ( 10.972 16.710 2.035) 20.094 8.455 ( 13.308 14.900 1.655) 20.046 9.855 ( 16.569 -6.751 1.118) 17.927 10.514 ( -3.091 11.518 -0.663) 11.944 11.778 ( -1.094 -3.836 -10.411) 11.149 13.637 ( -27.212 -20.277 -0.172) 33.936 16.102 ( -2.072 -6.079 5.079) 8.188 ======================= Grid point 2123 (550/580) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 0.000 8.366 6.398) 10.532 2.437 ( 0.000 24.270 8.244) 25.632 2.901 ( -0.000 25.485 -5.401) 26.051 3.274 ( 0.000 11.534 12.986) 17.368 4.317 ( 0.000 42.917 15.539) 45.643 5.260 ( -0.000 -3.480 -14.122) 14.544 7.524 ( -0.000 6.087 1.226) 6.209 10.312 ( -0.000 67.324 -17.800) 69.637 10.510 ( -0.000 -5.988 -3.702) 7.040 10.642 ( 0.000 -3.962 -0.634) 4.013 15.570 ( 0.000 3.189 6.290) 7.052 16.512 ( -0.000 -30.897 -6.336) 31.540 ======================= Grid point 2124 (551/580) ======================= q-point: ( 0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 3.510 8.706 3.345) 9.965 2.734 ( 4.938 21.210 6.250) 22.656 3.257 ( 10.599 28.677 -2.255) 30.656 3.386 ( 1.323 0.361 10.951) 11.037 4.996 ( 16.894 50.159 7.096) 53.402 5.239 ( 3.061 9.611 -11.473) 15.276 7.626 ( 3.342 8.325 0.854) 9.011 10.319 ( -5.767 -13.076 -1.887) 14.415 10.600 ( -0.066 -3.250 -0.477) 3.286 11.051 ( 16.598 43.637 -12.692) 48.381 15.592 ( -0.712 -12.277 16.638) 20.690 16.122 ( -9.602 -14.373 -17.342) 24.485 ======================= Grid point 2125 (552/580) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 5.089 10.224 2.067) 11.606 3.041 ( 6.405 15.473 9.908) 19.458 3.393 ( 0.521 -2.340 -0.430) 2.436 3.788 ( 16.663 29.885 -0.743) 34.225 5.340 ( 7.282 14.055 -3.738) 16.265 6.017 ( 30.397 52.097 0.716) 60.321 7.808 ( 6.360 11.422 0.683) 13.091 10.043 ( -9.085 -14.834 -1.381) 17.450 10.573 ( -0.255 -0.888 -0.584) 1.093 11.570 ( 11.857 16.646 -7.707) 21.842 15.210 ( -17.215 -35.078 11.057) 40.609 16.011 ( 0.767 8.677 -11.011) 14.040 ======================= Grid point 2126 (553/580) ======================= q-point: ( 0.61 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 4.444 11.985 1.218) 12.840 3.214 ( -2.361 -0.991 13.315) 13.559 3.473 ( 10.560 9.758 -9.022) 16.974 4.379 ( 17.579 29.183 0.038) 34.069 5.679 ( 12.966 19.272 -0.699) 23.238 7.036 ( 30.939 43.815 0.336) 53.638 8.072 ( 9.078 14.694 0.833) 17.292 9.741 ( -7.200 -15.452 -0.368) 17.051 10.579 ( -0.284 3.858 -0.668) 3.926 11.758 ( 3.411 1.418 -6.140) 7.165 14.541 ( -23.270 -31.130 2.905) 38.974 16.085 ( 1.712 1.896 -1.308) 2.869 ======================= Grid point 2127 (554/580) ======================= q-point: ( 0.67 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 2.668 13.206 0.498) 13.482 3.128 ( -4.713 -4.861 2.979) 7.397 3.791 ( 13.921 10.954 -1.160) 17.752 4.941 ( 15.009 27.327 0.239) 31.178 6.115 ( 13.567 20.660 0.817) 24.730 7.840 ( 16.429 30.834 0.910) 34.949 8.411 ( 11.659 17.360 1.278) 20.951 9.560 ( 5.301 -13.578 0.597) 14.589 10.648 ( 0.569 10.871 -0.443) 10.895 11.730 ( -1.351 -4.442 -6.361) 7.875 13.854 ( -24.137 -25.499 -0.486) 35.115 16.071 ( -1.003 -6.724 3.301) 7.558 ======================= Grid point 2143 (555/580) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -0.000 7.792 0.427) 7.804 2.935 ( -0.000 22.435 3.951) 22.780 3.396 ( 0.000 -2.788 7.798) 8.281 3.449 ( -0.000 30.775 -2.335) 30.864 5.231 ( -0.000 11.990 -4.859) 12.938 5.465 ( -0.000 58.036 0.427) 58.037 7.686 ( -0.000 9.984 0.348) 9.990 10.235 ( 0.000 -13.495 -2.185) 13.671 10.555 ( 0.000 -4.488 0.068) 4.488 11.293 ( -0.000 34.033 -5.607) 34.492 15.454 ( 0.000 -30.332 17.642) 35.090 16.069 ( -0.000 1.950 -19.655) 19.752 ======================= Grid point 2144 (556/580) ======================= q-point: ( 0.56 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 5.402 8.387 -0.166) 9.978 3.173 ( 1.726 19.886 4.608) 20.486 3.363 ( -0.684 -4.789 0.071) 4.838 3.846 ( 10.748 30.856 -1.397) 32.705 5.381 ( 4.131 16.382 -3.819) 17.321 6.183 ( 14.387 57.606 0.889) 59.382 7.833 ( 4.294 12.435 -0.073) 13.156 10.035 ( -6.732 -13.711 -1.945) 15.398 10.534 ( 2.119 -2.942 0.168) 3.630 11.587 ( 4.421 16.136 -0.799) 16.749 15.080 ( -7.366 -39.114 10.492) 41.161 16.076 ( -1.136 9.465 -12.605) 15.804 ======================= Grid point 2145 (557/580) ======================= q-point: ( 0.61 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 7.804 9.811 0.063) 12.537 3.265 ( -2.989 -6.133 4.936) 8.421 3.438 ( 5.627 17.733 -4.250) 19.084 4.381 ( 16.146 29.890 -0.548) 33.976 5.681 ( 9.847 21.201 -1.254) 23.410 7.038 ( 22.456 48.875 0.053) 53.787 8.076 ( 7.932 15.465 -0.216) 17.382 9.744 ( -10.229 -13.687 -1.077) 17.121 10.576 ( 3.664 1.608 -0.007) 4.001 11.728 ( 1.389 2.617 0.714) 3.048 14.537 ( -14.038 -36.258 3.907) 39.077 16.101 ( -1.447 3.604 -5.088) 6.401 ======================= Grid point 2146 (558/580) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 6.747 11.687 0.000) 13.495 3.151 ( -3.533 -6.120 -0.000) 7.066 3.717 ( 8.503 14.727 -0.000) 17.005 4.950 ( 16.190 28.042 -0.000) 32.380 6.105 ( 13.418 23.240 -0.000) 26.835 7.859 ( 21.733 37.643 -0.000) 43.467 8.398 ( 10.237 17.731 -0.000) 20.474 9.443 ( -7.693 -13.325 -0.000) 15.387 10.698 ( 4.916 8.515 -0.000) 9.832 11.710 ( -2.175 -3.768 -0.000) 4.351 13.937 ( -17.605 -30.492 -0.000) 35.209 16.047 ( -3.155 -5.465 -0.000) 6.311 ======================= Grid point 2163 (559/580) ======================= q-point: ( 0.56 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -0.000 8.031 -1.174) 8.117 3.312 ( -0.000 -5.968 -3.020) 6.689 3.370 ( -0.000 19.827 2.933) 20.043 4.046 ( -0.000 30.173 -1.416) 30.206 5.510 ( -0.000 19.608 -2.666) 19.788 6.627 ( -0.000 54.671 0.212) 54.671 7.922 ( -0.000 13.967 -0.730) 13.986 9.975 ( -0.000 -10.016 -2.329) 10.284 10.473 ( 0.000 -3.932 0.855) 4.024 11.690 ( 0.000 9.048 4.441) 10.080 14.772 ( 0.000 -40.402 7.305) 41.057 16.143 ( -0.000 8.114 -10.676) 13.410 ======================= Grid point 2164 (560/580) ======================= q-point: ( 0.61 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 6.577 8.238 -0.938) 10.583 3.229 ( -1.069 -6.847 -3.308) 7.679 3.576 ( 0.927 19.359 0.882) 19.401 4.430 ( 10.804 28.506 -0.904) 30.498 5.757 ( 5.508 21.838 -1.292) 22.559 7.219 ( 10.913 44.509 -0.673) 45.832 8.113 ( 5.333 16.234 -1.116) 17.124 9.811 ( -9.097 -5.905 -1.721) 10.982 10.495 ( 5.588 -1.047 0.771) 5.737 11.757 ( -0.610 1.292 6.667) 6.819 14.344 ( -5.868 -38.373 3.545) 38.980 16.156 ( -2.390 3.111 -7.053) 8.071 ======================= Grid point 2184 (561/580) ======================= q-point: (-0.39 -0.39 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -0.000 7.719 -1.052) 7.790 3.160 ( -0.000 -6.519 -4.493) 7.917 3.762 ( -0.000 18.895 0.985) 18.921 4.599 ( -0.000 26.004 -0.829) 26.017 5.920 ( -0.000 21.427 -0.747) 21.440 7.509 ( -0.000 32.573 -1.709) 32.618 8.226 ( -0.000 17.398 -1.502) 17.463 9.899 ( -0.000 5.934 -2.061) 6.282 10.412 ( 0.000 -3.010 1.367) 3.306 11.791 ( 0.000 -1.205 9.912) 9.985 14.023 ( 0.000 -37.420 1.917) 37.469 16.178 ( -0.000 0.002 -6.729) 6.729 ======================= Grid point 2437 (562/580) ======================= q-point: ( 0.39 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.000 -0.000 21.127) 21.127 1.707 ( 0.000 -0.000 21.127) 21.127 2.414 ( -0.000 0.000 -12.465) 12.465 2.414 ( -0.000 0.000 -12.465) 12.465 3.915 ( 0.000 -0.000 55.179) 55.179 5.818 ( -0.000 0.000 -39.909) 39.909 7.410 ( 0.000 -0.000 1.523) 1.523 7.410 ( 0.000 -0.000 1.523) 1.523 10.732 ( -0.000 0.000 -1.095) 1.095 10.732 ( -0.000 0.000 -1.095) 1.095 15.441 ( 0.000 -0.000 1.356) 1.356 17.364 ( -0.000 0.000 -0.245) 0.245 ======================= Grid point 2438 (563/580) ======================= q-point: ( 0.44 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 5.232 3.020 18.068) 19.051 2.034 ( 17.145 9.899 11.827) 23.061 2.507 ( 11.127 6.424 -9.406) 15.923 2.757 ( 30.200 17.436 -6.640) 35.499 3.982 ( -2.363 -1.364 41.821) 41.910 5.430 ( -13.076 -7.550 -22.097) 26.763 7.443 ( 2.421 1.398 1.126) 3.014 8.612 ( 80.824 46.664 -16.418) 94.761 10.666 ( -5.458 -3.151 -1.046) 6.389 10.709 ( -1.822 -1.052 -1.039) 2.347 15.481 ( 3.306 1.909 1.364) 4.054 17.100 ( -21.795 -12.583 -0.069) 25.167 ======================= Grid point 2439 (564/580) ======================= q-point: ( 0.50 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 7.069 4.081 10.196) 13.061 2.467 ( 18.201 10.509 6.556) 22.016 2.868 ( 21.549 12.441 -3.137) 25.080 3.348 ( 12.362 7.137 7.784) 16.259 4.367 ( 34.546 19.945 14.206) 42.344 5.198 ( -2.879 -1.662 -12.485) 12.920 7.530 ( 5.041 2.910 0.815) 5.878 10.303 ( 63.852 36.865 -17.673) 75.819 10.486 ( -8.728 -5.039 -1.294) 10.161 10.648 ( -3.164 -1.827 -1.021) 3.794 15.610 ( 7.399 4.272 3.624) 9.280 16.454 ( -32.691 -18.874 -2.297) 37.818 ======================= Grid point 2440 (565/580) ======================= q-point: ( 0.56 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 7.320 4.226 4.778) 9.709 2.881 ( 15.655 9.039 10.062) 20.689 3.424 ( 26.508 15.305 0.368) 30.611 3.446 ( -0.689 -0.398 2.497) 2.620 5.194 ( 11.473 6.624 -1.672) 13.353 5.486 ( 48.950 28.262 -1.322) 56.539 7.682 ( 8.259 4.769 0.791) 9.570 10.218 ( -12.295 -7.098 -0.376) 14.202 10.566 ( -3.629 -2.095 -1.075) 4.326 11.359 ( 31.570 18.227 -12.932) 38.679 15.613 ( -33.101 -19.111 11.207) 39.831 15.874 ( 7.395 4.269 -9.149) 12.514 ======================= Grid point 2441 (566/580) ======================= q-point: ( 0.61 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 7.274 4.200 2.274) 8.702 3.189 ( 4.192 2.420 17.782) 18.429 3.462 ( 7.582 4.378 -10.735) 13.852 4.035 ( 26.244 15.152 1.095) 30.323 5.501 ( 17.006 9.818 -0.589) 19.646 6.627 ( 46.880 27.066 0.356) 54.133 7.914 ( 11.852 6.843 1.077) 13.728 9.961 ( -8.998 -5.195 0.827) 10.423 10.482 ( -3.270 -1.888 -1.203) 3.962 11.756 ( 8.614 4.973 -10.484) 14.451 14.805 ( -35.621 -20.566 -0.113) 41.132 16.079 ( 7.138 4.121 3.766) 9.062 ======================= Grid point 2457 (567/580) ======================= q-point: ( 0.44 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 0.000 6.904 12.134) 13.961 2.023 ( 0.000 18.924 12.829) 22.863 2.477 ( -0.000 14.323 -9.541) 17.210 2.729 ( -0.000 34.642 -5.131) 35.020 4.096 ( 0.000 -5.644 37.989) 38.406 5.373 ( -0.000 -12.012 -22.337) 25.362 7.442 ( 0.000 2.668 1.175) 2.916 8.566 ( -0.000 90.562 -12.637) 91.439 10.667 ( 0.000 -6.090 -1.093) 6.187 10.703 ( -0.000 -2.289 -0.649) 2.380 15.484 ( 0.000 3.773 1.156) 3.946 17.103 ( 0.000 -24.730 -0.297) 24.732 ======================= Grid point 2458 (568/580) ======================= q-point: ( 0.50 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 1.706 7.884 7.400) 10.947 2.353 ( 11.198 17.708 5.041) 21.549 2.743 ( 11.825 21.285 -4.015) 24.677 3.235 ( 14.618 22.997 3.188) 27.435 4.250 ( 10.496 17.892 18.561) 27.835 5.193 ( -3.157 -4.149 -12.914) 13.927 7.504 ( 2.703 4.437 0.747) 5.249 9.827 ( 42.278 71.688 -12.616) 84.177 10.539 ( -5.540 -9.038 -0.951) 10.643 10.665 ( -1.320 -2.640 -0.630) 3.018 15.569 ( 3.975 6.227 2.057) 7.669 16.654 ( -18.292 -30.291 -1.482) 35.417 ======================= Grid point 2459 (569/580) ======================= q-point: ( 0.56 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 3.899 8.490 3.780) 10.079 2.751 ( 14.268 14.821 4.329) 21.024 3.237 ( 18.885 24.614 -0.149) 31.024 3.453 ( 0.492 -0.730 4.126) 4.219 5.031 ( 31.939 37.030 7.076) 49.410 5.177 ( 8.806 10.068 -8.943) 16.090 7.629 ( 5.335 6.948 0.499) 8.774 10.306 ( -9.126 -11.482 -0.458) 14.674 10.601 ( -2.417 -1.874 -0.611) 3.119 11.015 ( 32.854 36.459 -8.643) 49.833 15.750 ( 6.617 3.994 10.534) 13.066 15.949 ( -26.029 -25.998 -9.648) 38.033 ======================= Grid point 2460 (570/580) ======================= q-point: ( 0.61 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 4.351 9.332 1.912) 10.473 3.141 ( 13.041 11.002 10.410) 19.987 3.397 ( -1.584 -3.076 -6.093) 7.007 3.836 ( 21.174 25.052 0.850) 32.812 5.363 ( 12.029 12.277 0.086) 17.188 6.188 ( 42.508 40.941 -0.151) 59.018 7.830 ( 8.349 9.880 0.645) 12.951 10.024 ( -8.964 -12.579 0.563) 15.456 10.538 ( -3.385 0.242 -0.707) 3.467 11.612 ( 13.491 11.706 -6.547) 19.024 15.135 ( -30.656 -28.123 -1.665) 41.635 16.001 ( 8.421 6.150 3.898) 11.132 ======================= Grid point 2477 (571/580) ======================= q-point: ( 0.50 0.50 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -0.000 6.323 1.030) 6.407 2.490 ( -0.000 22.853 3.750) 23.158 2.864 ( -0.000 26.766 -2.984) 26.932 3.356 ( 0.000 16.616 6.032) 17.677 4.437 ( 0.000 34.482 10.158) 35.947 5.149 ( -0.000 -1.824 -9.758) 9.927 7.532 ( -0.000 5.955 0.596) 5.985 10.205 ( -0.000 72.733 -6.539) 73.026 10.489 ( 0.000 -10.040 -1.495) 10.151 10.639 ( 0.000 -3.849 -0.072) 3.850 15.612 ( 0.000 7.746 3.315) 8.426 16.467 ( 0.000 -36.203 -3.755) 36.397 ======================= Grid point 2478 (572/580) ======================= q-point: ( 0.56 0.50 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 4.268 7.578 -0.187) 8.699 2.765 ( 5.449 21.021 0.998) 21.739 3.241 ( 11.486 29.176 -1.226) 31.379 3.453 ( -0.200 -0.938 4.050) 4.162 5.055 ( 17.543 51.889 4.756) 54.980 5.152 ( 2.441 6.943 -6.473) 9.801 7.630 ( 3.358 8.192 0.190) 8.855 10.307 ( -5.610 -13.411 -0.766) 14.558 10.598 ( -0.234 -3.125 0.071) 3.135 10.986 ( 16.147 45.910 -2.042) 48.710 15.726 ( 2.877 -0.405 13.150) 13.467 15.981 ( -12.740 -26.902 -13.954) 32.875 ======================= Grid point 2479 (573/580) ======================= q-point: ( 0.61 0.50 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 5.566 9.640 0.000) 11.132 3.086 ( 9.825 17.017 0.000) 19.650 3.391 ( -3.065 -5.309 -0.000) 6.130 3.785 ( 17.189 29.772 -0.000) 34.378 5.323 ( 8.084 14.001 -0.000) 16.167 6.020 ( 30.172 52.260 -0.000) 60.344 7.811 ( 6.534 11.317 -0.000) 13.068 10.037 ( -8.709 -15.085 -0.000) 17.419 10.571 ( -0.459 -0.796 -0.000) 0.919 11.537 ( 10.522 18.225 -0.000) 21.045 15.262 ( -20.700 -35.854 -0.000) 41.400 15.960 ( 5.186 8.983 -0.000) 10.373 ======================= Grid point 2497 (574/580) ======================= q-point: ( 0.56 0.56 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -0.000 7.645 -2.270) 7.975 2.938 ( -0.000 21.488 -3.081) 21.708 3.432 ( -0.000 30.964 -1.451) 30.998 3.445 ( 0.000 -4.098 2.990) 5.072 5.197 ( -0.000 10.373 -2.425) 10.652 5.474 ( -0.000 59.592 1.326) 59.606 7.687 ( -0.000 9.724 -0.235) 9.726 10.221 ( 0.000 -13.908 -0.989) 13.943 10.558 ( 0.000 -4.319 0.608) 4.361 11.286 ( -0.000 36.081 3.847) 36.285 15.594 ( 0.000 -36.858 13.080) 39.110 15.911 ( -0.000 7.811 -15.142) 17.038 ======================= Grid point 2793 (575/580) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 0.000 -0.000 15.834) 15.834 1.871 ( 0.000 -0.000 15.834) 15.834 2.307 ( -0.000 0.000 -11.469) 11.469 2.307 ( -0.000 0.000 -11.469) 11.469 4.360 ( 0.000 -0.000 45.224) 45.224 5.472 ( -0.000 0.000 -37.597) 37.597 7.420 ( 0.000 -0.000 0.815) 0.815 7.420 ( 0.000 -0.000 0.815) 0.815 10.725 ( -0.000 0.000 -0.587) 0.587 10.725 ( -0.000 0.000 -0.587) 0.587 15.450 ( 0.000 -0.000 0.720) 0.720 17.362 ( -0.000 0.000 -0.132) 0.132 ======================= Grid point 2794 (576/580) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 3.322 1.918 11.273) 11.908 2.107 ( 14.140 8.164 4.430) 16.917 2.436 ( 13.305 7.681 -6.155) 16.550 2.708 ( 33.476 19.328 -3.886) 38.850 4.284 ( -9.060 -5.231 24.361) 26.512 5.250 ( -6.895 -3.981 -16.192) 18.043 7.449 ( 2.365 1.365 0.370) 2.755 8.513 ( 76.680 44.271 -6.383) 88.772 10.660 ( -5.504 -3.178 -0.351) 6.366 10.702 ( -1.870 -1.080 -0.515) 2.220 15.489 ( 3.489 2.015 0.549) 4.066 17.100 ( -21.835 -12.606 0.025) 25.213 ======================= Grid point 2795 (577/580) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 5.416 3.127 5.028) 8.024 2.501 ( 18.858 10.887 1.228) 21.810 2.852 ( 22.992 13.274 -0.324) 26.551 3.381 ( 15.429 8.908 0.303) 17.819 4.461 ( 28.550 16.483 5.261) 33.384 5.120 ( -1.364 -0.787 -3.767) 4.083 7.534 ( 5.077 2.931 0.115) 5.864 10.201 ( 64.296 37.121 -5.666) 74.458 10.481 ( -9.342 -5.394 0.148) 10.789 10.641 ( -3.241 -1.871 -0.504) 3.776 15.626 ( 8.500 4.908 0.104) 9.816 16.448 ( -33.579 -19.387 0.768) 38.781 ======================= Grid point 2813 (578/580) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 0.000 3.638 1.473) 3.925 2.104 ( 0.000 15.900 5.148) 16.713 2.418 ( -0.000 16.370 -2.794) 16.607 2.697 ( -0.000 38.620 -1.504) 38.649 4.338 ( 0.000 -12.375 13.604) 18.390 5.215 ( -0.000 -5.868 -9.848) 11.464 7.449 ( -0.000 2.686 0.432) 2.720 8.499 ( -0.000 87.586 -2.949) 87.636 10.660 ( 0.000 -6.283 -0.394) 6.295 10.700 ( 0.000 -2.223 -0.074) 2.224 15.490 ( -0.000 4.013 0.316) 4.026 17.101 ( 0.000 -25.071 -0.164) 25.071 ======================= Grid point 2814 (579/580) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 3.139 5.436 0.000) 6.277 2.375 ( 10.248 17.750 0.000) 20.496 2.725 ( 12.697 21.991 -0.000) 25.393 3.248 ( 15.131 26.207 -0.000) 30.262 4.340 ( 7.845 13.588 0.000) 15.691 5.129 ( -1.758 -3.045 -0.000) 3.516 7.507 ( 2.591 4.487 -0.000) 5.181 9.772 ( 41.574 72.008 -0.000) 83.148 10.535 ( -5.339 -9.247 -0.000) 10.677 10.663 ( -1.489 -2.580 -0.000) 2.979 15.578 ( 4.096 7.094 -0.000) 8.191 16.648 ( -18.147 -31.431 -0.000) 36.293 ======================= Grid point 3155 (580/580) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 1.10e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -0.000 0.000 -0.000) 0.000 1.951 ( -0.000 0.000 -0.000) 0.000 2.245 ( 0.000 -0.000 0.000) 0.000 2.245 ( 0.000 -0.000 0.000) 0.000 4.604 ( -0.000 0.000 -0.000) 0.000 5.262 ( 0.000 -0.000 0.000) 0.000 7.424 ( 0.000 -0.000 0.000) 0.000 7.424 ( 0.000 -0.000 0.000) 0.000 10.722 ( 0.000 -0.000 0.000) 0.000 10.722 ( 0.000 -0.000 0.000) 0.000 15.454 ( 0.000 -0.000 0.000) 0.000 17.361 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/69984 10.0 1339.611 1339.611 4193.937 -0.000 -0.000 -0.000 3/69984 20.0 427.255 427.255 966.972 -0.000 -0.000 -0.000 3/69984 30.0 168.725 168.725 266.791 -0.000 -0.000 -0.000 3/69984 40.0 101.928 101.928 134.275 -0.000 -0.000 -0.000 3/69984 50.0 72.818 72.818 85.614 -0.000 -0.000 -0.000 3/69984 60.0 55.903 55.903 61.171 -0.000 -0.000 -0.000 3/69984 70.0 44.838 44.838 46.757 -0.000 -0.000 -0.000 3/69984 80.0 37.134 37.134 37.415 -0.000 -0.000 -0.000 3/69984 90.0 31.532 31.532 30.966 -0.000 -0.000 -0.000 3/69984 100.0 27.319 27.319 26.304 -0.000 -0.000 -0.000 3/69984 110.0 24.061 24.061 22.812 -0.000 -0.000 -0.000 3/69984 120.0 21.481 21.481 20.116 -0.000 -0.000 -0.000 3/69984 130.0 19.396 19.396 17.984 -0.000 -0.000 -0.000 3/69984 140.0 17.681 17.681 16.262 -0.000 -0.000 -0.000 3/69984 150.0 16.247 16.247 14.844 -0.000 -0.000 -0.000 3/69984 160.0 15.033 15.033 13.659 -0.000 -0.000 -0.000 3/69984 170.0 13.991 13.991 12.654 -0.000 -0.000 -0.000 3/69984 180.0 13.089 13.089 11.792 -0.000 -0.000 -0.000 3/69984 190.0 12.299 12.299 11.044 -0.000 -0.000 -0.000 3/69984 200.0 11.602 11.602 10.388 -0.000 -0.000 -0.000 3/69984 210.0 10.983 10.983 9.810 -0.000 -0.000 -0.000 3/69984 220.0 10.428 10.428 9.295 -0.000 -0.000 -0.000 3/69984 230.0 9.929 9.929 8.833 -0.000 -0.000 -0.000 3/69984 240.0 9.477 9.477 8.417 -0.000 -0.000 -0.000 3/69984 250.0 9.066 9.066 8.041 -0.000 -0.000 -0.000 3/69984 260.0 8.689 8.689 7.697 -0.000 -0.000 -0.000 3/69984 270.0 8.344 8.344 7.383 -0.000 -0.000 -0.000 3/69984 280.0 8.026 8.026 7.095 -0.000 -0.000 -0.000 3/69984 290.0 7.732 7.732 6.829 -0.000 -0.000 -0.000 3/69984 300.0 7.460 7.460 6.582 -0.000 -0.000 -0.000 3/69984 310.0 7.206 7.206 6.354 -0.000 -0.000 -0.000 3/69984 320.0 6.970 6.970 6.141 -0.000 -0.000 -0.000 3/69984 330.0 6.748 6.748 5.943 -0.000 -0.000 -0.000 3/69984 340.0 6.541 6.541 5.757 -0.000 -0.000 -0.000 3/69984 350.0 6.347 6.347 5.583 -0.000 -0.000 -0.000 3/69984 360.0 6.164 6.164 5.420 -0.000 -0.000 -0.000 3/69984 370.0 5.991 5.991 5.266 -0.000 -0.000 -0.000 3/69984 380.0 5.828 5.828 5.120 -0.000 -0.000 -0.000 3/69984 390.0 5.674 5.674 4.983 -0.000 -0.000 -0.000 3/69984 400.0 5.528 5.528 4.853 -0.000 -0.000 -0.000 3/69984 410.0 5.389 5.389 4.730 -0.000 -0.000 -0.000 3/69984 420.0 5.257 5.257 4.613 -0.000 -0.000 -0.000 3/69984 430.0 5.132 5.132 4.501 -0.000 -0.000 -0.000 3/69984 440.0 5.012 5.012 4.396 -0.000 -0.000 -0.000 3/69984 450.0 4.898 4.898 4.295 -0.000 -0.000 -0.000 3/69984 460.0 4.789 4.789 4.198 -0.000 -0.000 -0.000 3/69984 470.0 4.685 4.685 4.106 -0.000 -0.000 -0.000 3/69984 480.0 4.586 4.586 4.018 -0.000 -0.000 -0.000 3/69984 490.0 4.490 4.490 3.934 -0.000 -0.000 -0.000 3/69984 500.0 4.399 4.399 3.853 -0.000 -0.000 -0.000 3/69984 510.0 4.311 4.311 3.776 -0.000 -0.000 -0.000 3/69984 520.0 4.227 4.227 3.701 -0.000 -0.000 -0.000 3/69984 530.0 4.146 4.146 3.630 -0.000 -0.000 -0.000 3/69984 540.0 4.068 4.068 3.561 -0.000 -0.000 -0.000 3/69984 550.0 3.993 3.993 3.495 -0.000 -0.000 -0.000 3/69984 560.0 3.921 3.921 3.431 -0.000 -0.000 -0.000 3/69984 570.0 3.851 3.851 3.370 -0.000 -0.000 -0.000 3/69984 580.0 3.784 3.784 3.311 -0.000 -0.000 -0.000 3/69984 590.0 3.719 3.719 3.254 -0.000 -0.000 -0.000 3/69984 600.0 3.656 3.656 3.198 -0.000 -0.000 -0.000 3/69984 610.0 3.596 3.596 3.145 -0.000 -0.000 -0.000 3/69984 620.0 3.537 3.537 3.093 -0.000 -0.000 -0.000 3/69984 630.0 3.480 3.480 3.044 -0.000 -0.000 -0.000 3/69984 640.0 3.425 3.425 2.995 -0.000 -0.000 -0.000 3/69984 650.0 3.372 3.372 2.949 -0.000 -0.000 -0.000 3/69984 660.0 3.321 3.321 2.903 -0.000 -0.000 -0.000 3/69984 670.0 3.271 3.271 2.859 -0.000 -0.000 -0.000 3/69984 680.0 3.222 3.222 2.817 -0.000 -0.000 -0.000 3/69984 690.0 3.175 3.175 2.775 -0.000 -0.000 -0.000 3/69984 700.0 3.129 3.129 2.735 -0.000 -0.000 -0.000 3/69984 710.0 3.085 3.085 2.696 -0.000 -0.000 -0.000 3/69984 720.0 3.042 3.042 2.658 -0.000 -0.000 -0.000 3/69984 730.0 3.000 3.000 2.621 -0.000 -0.000 -0.000 3/69984 740.0 2.959 2.959 2.586 -0.000 -0.000 -0.000 3/69984 750.0 2.919 2.919 2.551 -0.000 -0.000 -0.000 3/69984 760.0 2.880 2.880 2.517 -0.000 -0.000 -0.000 3/69984 770.0 2.843 2.843 2.484 -0.000 -0.000 -0.000 3/69984 780.0 2.806 2.806 2.452 -0.000 -0.000 -0.000 3/69984 790.0 2.770 2.770 2.420 -0.000 -0.000 -0.000 3/69984 800.0 2.736 2.736 2.390 -0.000 -0.000 -0.000 3/69984 810.0 2.702 2.702 2.360 -0.000 -0.000 -0.000 3/69984 820.0 2.668 2.668 2.331 -0.000 -0.000 -0.000 3/69984 830.0 2.636 2.636 2.303 -0.000 -0.000 -0.000 3/69984 840.0 2.605 2.605 2.275 -0.000 -0.000 -0.000 3/69984 850.0 2.574 2.574 2.248 -0.000 -0.000 -0.000 3/69984 860.0 2.544 2.544 2.222 -0.000 -0.000 -0.000 3/69984 870.0 2.514 2.514 2.196 -0.000 -0.000 -0.000 3/69984 880.0 2.486 2.486 2.171 -0.000 -0.000 -0.000 3/69984 890.0 2.458 2.458 2.146 -0.000 -0.000 -0.000 3/69984 900.0 2.430 2.430 2.122 -0.000 -0.000 -0.000 3/69984 910.0 2.403 2.403 2.099 -0.000 -0.000 -0.000 3/69984 920.0 2.377 2.377 2.076 -0.000 -0.000 -0.000 3/69984 930.0 2.352 2.352 2.053 -0.000 -0.000 -0.000 3/69984 940.0 2.326 2.326 2.031 -0.000 -0.000 -0.000 3/69984 950.0 2.302 2.302 2.010 -0.000 -0.000 -0.000 3/69984 960.0 2.278 2.278 1.989 -0.000 -0.000 -0.000 3/69984 970.0 2.254 2.254 1.968 -0.000 -0.000 -0.000 3/69984 980.0 2.231 2.231 1.948 -0.000 -0.000 -0.000 3/69984 990.0 2.209 2.209 1.928 -0.000 -0.000 -0.000 3/69984 1000.0 2.186 2.186 1.909 -0.000 -0.000 -0.000 3/69984 Thermal conductivity related properties were written into "kappa-m181818.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:44:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|