----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:23:04]------------------------- 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 1.734623657255115 1.001485435458932 6.479328036666658 b -1.734623657255112 1.001485435458932 6.479328036666658 c 0.000000000000002 -2.002970870917867 6.479328036666658 Atomic positions (fractional): *1 O 0.22500131225026 0.22500131225026 0.22500131225026 15.999 2 O 0.77499868774974 0.77499868774974 0.77499868774974 15.999 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.469247314510228 0.000000000000000 0.000000000000000 b -1.734623657255114 3.004456306376799 0.000000000000000 c 0.000000000000000 0.000000000000000 19.437984109999995 Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.89166797891693 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.77499868774974 15.999 > 2 3 O 0.00000000000000 0.00000000000000 0.22500131225026 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.10833202108307 15.999 > 2 5 O 0.66666666666667 0.33333333333333 0.55833464558359 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.44166535441641 15.999 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Dy 0.66666666666667 0.33333333333333 0.83333333333333 162.500 > 4 11 Dy 0.33333333333333 0.66666666666667 0.16666666666667 162.500 > 4 12 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.407741943530684 0.000000000000000 0.000000000000000 b -5.203870971765342 9.013368919130397 0.000000000000000 c 0.000000000000000 0.000000000000000 19.437984109999995 Atomic positions (fractional): *1 O 0.11111111111111 0.22222222222222 0.89166797891693 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.89166797891693 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.89166797891693 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.89166797891693 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.89166797891693 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.89166797891693 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.89166797891693 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.89166797891693 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.89166797891693 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.77499868774974 15.999 > 2 11 O 0.33333333333333 0.00000000000000 0.77499868774974 15.999 > 2 12 O 0.66666666666667 0.00000000000000 0.77499868774974 15.999 > 2 13 O 0.00000000000000 0.33333333333333 0.77499868774974 15.999 > 2 14 O 0.33333333333333 0.33333333333333 0.77499868774974 15.999 > 2 15 O 0.66666666666667 0.33333333333333 0.77499868774974 15.999 > 2 16 O 0.00000000000000 0.66666666666667 0.77499868774974 15.999 > 2 17 O 0.33333333333333 0.66666666666667 0.77499868774974 15.999 > 2 18 O 0.66666666666667 0.66666666666667 0.77499868774974 15.999 > 2 19 O 0.00000000000000 0.00000000000000 0.22500131225026 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.22500131225026 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.22500131225026 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.22500131225026 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.22500131225026 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.22500131225026 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.22500131225026 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.22500131225026 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.22500131225026 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.10833202108307 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.10833202108307 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.10833202108307 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.10833202108307 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.10833202108307 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.10833202108307 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.10833202108307 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.10833202108307 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.10833202108307 15.999 > 2 37 O 0.22222222222222 0.11111111111111 0.55833464558359 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.55833464558359 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.55833464558359 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.55833464558359 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.55833464558359 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.55833464558359 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.55833464558359 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.55833464558359 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.55833464558359 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.44166535441641 15.999 > 2 47 O 0.44444444444444 0.22222222222222 0.44166535441641 15.999 > 2 48 O 0.77777777777778 0.22222222222222 0.44166535441641 15.999 > 2 49 O 0.11111111111111 0.55555555555556 0.44166535441641 15.999 > 2 50 O 0.44444444444444 0.55555555555556 0.44166535441641 15.999 > 2 51 O 0.77777777777778 0.55555555555556 0.44166535441641 15.999 > 2 52 O 0.11111111111111 0.88888888888889 0.44166535441641 15.999 > 2 53 O 0.44444444444444 0.88888888888889 0.44166535441641 15.999 > 2 54 O 0.77777777777778 0.88888888888889 0.44166535441641 15.999 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Dy 0.22222222222222 0.11111111111111 0.83333333333333 162.500 > 4 83 Dy 0.55555555555556 0.11111111111111 0.83333333333333 162.500 > 4 84 Dy 0.88888888888889 0.11111111111111 0.83333333333333 162.500 > 4 85 Dy 0.22222222222222 0.44444444444444 0.83333333333333 162.500 > 4 86 Dy 0.55555555555556 0.44444444444444 0.83333333333333 162.500 > 4 87 Dy 0.88888888888889 0.44444444444444 0.83333333333333 162.500 > 4 88 Dy 0.22222222222222 0.77777777777778 0.83333333333333 162.500 > 4 89 Dy 0.55555555555556 0.77777777777778 0.83333333333333 162.500 > 4 90 Dy 0.88888888888889 0.77777777777778 0.83333333333333 162.500 > 4 91 Dy 0.11111111111111 0.22222222222222 0.16666666666667 162.500 > 4 92 Dy 0.44444444444444 0.22222222222222 0.16666666666667 162.500 > 4 93 Dy 0.77777777777778 0.22222222222222 0.16666666666667 162.500 > 4 94 Dy 0.11111111111111 0.55555555555556 0.16666666666667 162.500 > 4 95 Dy 0.44444444444444 0.55555555555556 0.16666666666667 162.500 > 4 96 Dy 0.77777777777778 0.55555555555556 0.16666666666667 162.500 > 4 97 Dy 0.11111111111111 0.88888888888889 0.16666666666667 162.500 > 4 98 Dy 0.44444444444444 0.88888888888889 0.16666666666667 162.500 > 4 99 Dy 0.77777777777778 0.88888888888889 0.16666666666667 162.500 > 4 100 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 4 101 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 4 102 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 4 103 Dy 0.00000000000000 0.33333333333333 0.50000000000000 162.500 > 4 104 Dy 0.33333333333333 0.33333333333333 0.50000000000000 162.500 > 4 105 Dy 0.66666666666667 0.33333333333333 0.50000000000000 162.500 > 4 106 Dy 0.00000000000000 0.66666666666667 0.50000000000000 162.500 > 4 107 Dy 0.33333333333333 0.66666666666667 0.50000000000000 162.500 > 4 108 Dy 0.66666666666667 0.66666666666667 0.50000000000000 162.500 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9565453 -0.0000000 0.0000000 0.0000000 3.9565453 0.0000000 0.0000000 0.0000000 3.5443233 -------------------------- Born effective charges -------------------------- 1 O -2.6658312 0.0000000 0.0000000 0.0000000 -2.6658312 0.0000000 0.0000000 0.0000000 -2.1266876 2 O -2.6658312 0.0000000 0.0000000 0.0000000 -2.6658312 0.0000000 0.0000000 0.0000000 -2.1266876 3 Rb 1.0778082 -0.0000000 0.0000000 0.0000000 1.0778082 0.0000000 0.0000000 0.0000000 1.7383045 4 Dy 4.2538542 -0.0000000 0.0000000 0.0000000 4.2538542 0.0000000 0.0000000 0.0000000 2.5150706 ---------------------------------------------------------------------------- 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: 169 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: 0.121 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.127 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 169 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 22:23:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:23:08]------------------------- 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 1.734623657255115 1.001485435458932 6.479328036666658 b -1.734623657255112 1.001485435458932 6.479328036666658 c 0.000000000000002 -2.002970870917867 6.479328036666658 Atomic positions (fractional): 1 O 0.22500131225026 0.22500131225026 0.22500131225026 15.999 2 O 0.77499868774974 0.77499868774974 0.77499868774974 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.407741943530684 0.000000000000000 0.000000000000000 b -5.203870971765342 9.013368919130397 0.000000000000000 c 0.000000000000000 0.000000000000000 19.437984109999995 Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.89166797891693 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.89166797891693 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.89166797891693 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.89166797891693 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.89166797891693 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.89166797891693 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.89166797891693 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.89166797891693 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.89166797891693 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.77499868774974 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.77499868774974 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.77499868774974 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.77499868774974 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.77499868774974 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.77499868774974 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.77499868774974 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.77499868774974 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.77499868774974 15.999 > 10 19 O 0.00000000000000 0.00000000000000 0.22500131225026 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.22500131225026 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.22500131225026 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.22500131225026 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.22500131225026 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.22500131225026 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.22500131225026 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.22500131225026 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.22500131225026 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.10833202108307 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.10833202108307 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.10833202108307 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.10833202108307 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.10833202108307 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.10833202108307 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.10833202108307 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.10833202108307 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.10833202108307 15.999 > 10 37 O 0.22222222222222 0.11111111111111 0.55833464558359 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.55833464558359 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.55833464558359 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.55833464558359 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.55833464558359 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.55833464558359 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.55833464558359 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.55833464558359 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.55833464558359 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.44166535441641 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.44166535441641 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.44166535441641 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.44166535441641 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.44166535441641 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.44166535441641 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.44166535441641 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.44166535441641 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.44166535441641 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Dy 0.22222222222222 0.11111111111111 0.83333333333333 162.500 > 82 83 Dy 0.55555555555556 0.11111111111111 0.83333333333333 162.500 > 82 84 Dy 0.88888888888889 0.11111111111111 0.83333333333333 162.500 > 82 85 Dy 0.22222222222222 0.44444444444444 0.83333333333333 162.500 > 82 86 Dy 0.55555555555556 0.44444444444444 0.83333333333333 162.500 > 82 87 Dy 0.88888888888889 0.44444444444444 0.83333333333333 162.500 > 82 88 Dy 0.22222222222222 0.77777777777778 0.83333333333333 162.500 > 82 89 Dy 0.55555555555556 0.77777777777778 0.83333333333333 162.500 > 82 90 Dy 0.88888888888889 0.77777777777778 0.83333333333333 162.500 > 82 91 Dy 0.11111111111111 0.22222222222222 0.16666666666667 162.500 > 82 92 Dy 0.44444444444444 0.22222222222222 0.16666666666667 162.500 > 82 93 Dy 0.77777777777778 0.22222222222222 0.16666666666667 162.500 > 82 94 Dy 0.11111111111111 0.55555555555556 0.16666666666667 162.500 > 82 95 Dy 0.44444444444444 0.55555555555556 0.16666666666667 162.500 > 82 96 Dy 0.77777777777778 0.55555555555556 0.16666666666667 162.500 > 82 97 Dy 0.11111111111111 0.88888888888889 0.16666666666667 162.500 > 82 98 Dy 0.44444444444444 0.88888888888889 0.16666666666667 162.500 > 82 99 Dy 0.77777777777778 0.88888888888889 0.16666666666667 162.500 > 82 100 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 82 101 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 82 102 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 82 103 Dy 0.00000000000000 0.33333333333333 0.50000000000000 162.500 > 82 104 Dy 0.33333333333333 0.33333333333333 0.50000000000000 162.500 > 82 105 Dy 0.66666666666667 0.33333333333333 0.50000000000000 162.500 > 82 106 Dy 0.00000000000000 0.66666666666667 0.50000000000000 162.500 > 82 107 Dy 0.33333333333333 0.66666666666667 0.50000000000000 162.500 > 82 108 Dy 0.66666666666667 0.66666666666667 0.50000000000000 162.500 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9565453 -0.0000000 0.0000000 0.0000000 3.9565453 0.0000000 0.0000000 0.0000000 3.5443233 -------------------------- Born effective charges -------------------------- 1 O -2.6658312 0.0000000 0.0000000 0.0000000 -2.6658312 0.0000000 0.0000000 0.0000000 -2.1266876 2 O -2.6658312 0.0000000 0.0000000 0.0000000 -2.6658312 0.0000000 0.0000000 0.0000000 -2.1266876 3 Rb 1.0778082 -0.0000000 0.0000000 0.0000000 1.0778082 0.0000000 0.0000000 0.0000000 1.7383045 4 Dy 4.2538542 -0.0000000 0.0000000 0.0000000 4.2538542 0.0000000 0.0000000 0.0000000 2.5150706 ---------------------------------------------------------------------------- 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 22:23:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:23:13]------------------------- 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 1.734623657255115 1.001485435458932 6.479328036666658 b -1.734623657255112 1.001485435458932 6.479328036666658 c 0.000000000000002 -2.002970870917867 6.479328036666658 Atomic positions (fractional): 1 O 0.22500131225026 0.22500131225026 0.22500131225026 15.999 2 O 0.77499868774974 0.77499868774974 0.77499868774974 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.407741943530684 0.000000000000000 0.000000000000000 b -5.203870971765342 9.013368919130397 0.000000000000000 c 0.000000000000000 0.000000000000000 19.437984109999995 Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.89166797891693 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.89166797891693 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.89166797891693 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.89166797891693 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.89166797891693 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.89166797891693 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.89166797891693 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.89166797891693 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.89166797891693 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.77499868774974 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.77499868774974 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.77499868774974 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.77499868774974 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.77499868774974 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.77499868774974 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.77499868774974 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.77499868774974 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.77499868774974 15.999 > 10 19 O 0.00000000000000 0.00000000000000 0.22500131225026 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.22500131225026 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.22500131225026 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.22500131225026 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.22500131225026 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.22500131225026 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.22500131225026 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.22500131225026 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.22500131225026 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.10833202108307 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.10833202108307 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.10833202108307 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.10833202108307 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.10833202108307 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.10833202108307 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.10833202108307 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.10833202108307 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.10833202108307 15.999 > 10 37 O 0.22222222222222 0.11111111111111 0.55833464558359 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.55833464558359 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.55833464558359 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.55833464558359 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.55833464558359 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.55833464558359 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.55833464558359 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.55833464558359 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.55833464558359 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.44166535441641 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.44166535441641 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.44166535441641 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.44166535441641 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.44166535441641 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.44166535441641 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.44166535441641 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.44166535441641 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.44166535441641 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Dy 0.22222222222222 0.11111111111111 0.83333333333333 162.500 > 82 83 Dy 0.55555555555556 0.11111111111111 0.83333333333333 162.500 > 82 84 Dy 0.88888888888889 0.11111111111111 0.83333333333333 162.500 > 82 85 Dy 0.22222222222222 0.44444444444444 0.83333333333333 162.500 > 82 86 Dy 0.55555555555556 0.44444444444444 0.83333333333333 162.500 > 82 87 Dy 0.88888888888889 0.44444444444444 0.83333333333333 162.500 > 82 88 Dy 0.22222222222222 0.77777777777778 0.83333333333333 162.500 > 82 89 Dy 0.55555555555556 0.77777777777778 0.83333333333333 162.500 > 82 90 Dy 0.88888888888889 0.77777777777778 0.83333333333333 162.500 > 82 91 Dy 0.11111111111111 0.22222222222222 0.16666666666667 162.500 > 82 92 Dy 0.44444444444444 0.22222222222222 0.16666666666667 162.500 > 82 93 Dy 0.77777777777778 0.22222222222222 0.16666666666667 162.500 > 82 94 Dy 0.11111111111111 0.55555555555556 0.16666666666667 162.500 > 82 95 Dy 0.44444444444444 0.55555555555556 0.16666666666667 162.500 > 82 96 Dy 0.77777777777778 0.55555555555556 0.16666666666667 162.500 > 82 97 Dy 0.11111111111111 0.88888888888889 0.16666666666667 162.500 > 82 98 Dy 0.44444444444444 0.88888888888889 0.16666666666667 162.500 > 82 99 Dy 0.77777777777778 0.88888888888889 0.16666666666667 162.500 > 82 100 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 82 101 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 82 102 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 82 103 Dy 0.00000000000000 0.33333333333333 0.50000000000000 162.500 > 82 104 Dy 0.33333333333333 0.33333333333333 0.50000000000000 162.500 > 82 105 Dy 0.66666666666667 0.33333333333333 0.50000000000000 162.500 > 82 106 Dy 0.00000000000000 0.66666666666667 0.50000000000000 162.500 > 82 107 Dy 0.33333333333333 0.66666666666667 0.50000000000000 162.500 > 82 108 Dy 0.66666666666667 0.66666666666667 0.50000000000000 162.500 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9565453 -0.0000000 0.0000000 0.0000000 3.9565453 0.0000000 0.0000000 0.0000000 3.5443233 -------------------------- Born effective charges -------------------------- 1 O -2.6658312 0.0000000 0.0000000 0.0000000 -2.6658312 0.0000000 0.0000000 0.0000000 -2.1266876 2 O -2.6658312 0.0000000 0.0000000 0.0000000 -2.6658312 0.0000000 0.0000000 0.0000000 -2.1266876 3 Rb 1.0778082 -0.0000000 0.0000000 0.0000000 1.0778082 0.0000000 0.0000000 0.0000000 1.7383045 4 Dy 4.2538542 -0.0000000 0.0000000 0.0000000 4.2538542 0.0000000 0.0000000 0.0000000 2.5150706 ---------------------------------------------------------------------------- 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 ... [ 17 17 17 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.02, Number of G-points: 301, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/489) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 9.760 ( 0.000 0.000 0.000) 0.000 10.823 ( 0.000 0.000 0.000) 0.000 10.823 ( 0.000 0.000 0.000) 0.000 14.139 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/489) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 19.364 11.180 6.741) 23.354 0.560 ( 24.430 14.105 -0.756) 28.220 1.031 ( 43.396 25.055 6.697) 50.555 2.134 ( 2.677 1.546 -0.598) 3.149 2.256 ( 11.976 6.914 -0.274) 13.831 4.361 ( -0.986 -0.569 3.344) 3.532 6.981 ( 5.015 2.896 0.342) 5.801 9.520 ( -13.597 -7.850 -12.045) 19.789 10.789 ( -3.008 -1.737 0.021) 3.474 10.964 ( 12.611 7.281 -17.887) 23.065 13.888 ( -18.548 -10.709 3.194) 21.654 14.808 ( 8.811 5.087 -6.314) 11.974 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 18.861 10.889 4.865) 22.315 1.088 ( 22.191 12.812 -0.381) 25.626 1.951 ( 34.604 19.978 6.288) 40.449 2.223 ( 5.453 3.148 -1.129) 6.397 2.665 ( 24.866 14.357 -0.289) 28.714 4.340 ( -1.421 -0.820 -0.293) 1.667 7.150 ( 9.836 5.679 0.388) 11.364 9.126 ( -18.374 -10.609 0.952) 21.238 10.693 ( -5.276 -3.046 0.113) 6.093 11.197 ( 11.991 6.923 -20.550) 24.779 13.419 ( -23.679 -13.671 8.711) 28.696 14.944 ( 4.200 2.425 -5.631) 7.432 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 17.937 10.356 3.212) 20.959 1.545 ( 17.871 10.318 0.074) 20.635 2.377 ( 8.593 4.961 -1.479) 10.032 2.594 ( 21.939 12.667 4.351) 25.704 3.368 ( 35.229 20.340 0.341) 40.681 4.292 ( -2.530 -1.461 -2.085) 3.589 7.422 ( 13.911 8.031 -0.013) 16.063 8.739 ( -15.193 -8.772 -0.325) 17.547 10.561 ( -6.244 -3.605 0.342) 7.218 11.348 ( 6.184 3.570 -19.695) 20.949 12.895 ( -25.536 -14.743 15.635) 33.375 14.961 ( -0.661 -0.382 -7.726) 7.764 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 16.476 9.512 2.749) 19.222 1.886 ( 12.199 7.043 0.278) 14.089 2.602 ( 11.414 6.590 -1.420) 13.256 3.029 ( 16.347 9.438 2.177) 19.000 4.128 ( 21.290 12.292 -7.701) 25.761 4.242 ( 7.923 4.574 5.349) 10.598 7.766 ( 16.263 9.389 -0.799) 18.796 8.464 ( -7.968 -4.600 -4.379) 10.190 10.425 ( -5.665 -3.270 0.747) 6.583 11.339 ( -1.914 -1.105 -19.745) 19.868 12.372 ( -25.630 -14.798 22.336) 37.078 14.887 ( -2.978 -1.719 -9.528) 10.130 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 14.555 8.404 3.523) 17.172 2.108 ( 7.769 4.486 0.166) 8.973 2.865 ( 11.675 6.741 -0.997) 13.518 3.355 ( 12.324 7.115 -1.088) 14.272 4.069 ( -5.994 -3.461 -3.436) 7.728 4.864 ( 26.745 15.441 2.038) 30.950 8.131 ( 15.898 9.179 -1.698) 18.435 8.369 ( 1.371 0.792 -7.843) 8.002 10.320 ( -3.704 -2.139 1.265) 4.460 11.143 ( -10.015 -5.782 -18.075) 21.458 11.871 ( -25.102 -14.493 23.701) 37.442 14.795 ( -2.101 -1.213 -9.230) 9.544 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 4.995 2.884 0.032) 5.768 2.420 ( 12.587 7.267 4.844) 15.320 3.104 ( 9.402 5.428 -0.578) 10.871 3.567 ( 6.635 3.830 -8.057) 11.118 3.919 ( -6.057 -3.497 2.806) 7.536 5.391 ( 19.406 11.204 0.975) 22.429 8.452 ( 12.603 7.277 -2.243) 14.725 8.479 ( 10.538 6.084 -9.431) 15.395 10.270 ( -1.111 -0.642 1.625) 2.071 10.802 ( -16.038 -9.259 -10.047) 21.069 11.377 ( -23.437 -13.531 15.750) 31.312 14.749 ( 0.115 0.066 -6.811) 6.813 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 2.892 1.669 -0.018) 3.339 2.702 ( 10.954 6.324 5.896) 13.955 3.278 ( 5.930 3.424 -0.287) 6.853 3.536 ( -5.863 -3.385 -11.978) 13.759 3.891 ( 1.879 1.085 6.085) 6.460 5.747 ( 11.897 6.869 0.412) 13.743 8.675 ( 7.560 4.365 -1.946) 8.944 8.776 ( 17.875 10.320 -9.293) 22.636 10.273 ( 0.671 0.387 1.421) 1.619 10.355 ( -22.517 -13.000 1.839) 26.065 10.952 ( -15.493 -8.945 3.662) 18.261 14.751 ( 1.244 0.718 -3.794) 4.057 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 0.956 0.552 -0.012) 1.103 2.940 ( 7.551 4.360 4.933) 10.018 3.340 ( -6.827 -3.942 -6.608) 10.287 3.367 ( 2.014 1.163 -0.086) 2.327 3.951 ( 1.426 0.823 1.735) 2.392 5.929 ( 4.060 2.344 0.111) 4.690 8.783 ( 2.429 1.402 -0.767) 2.907 9.206 ( 21.007 12.129 -7.772) 25.472 9.825 ( -23.468 -13.549 6.591) 27.889 10.293 ( 0.562 0.325 0.563) 0.859 10.727 ( -4.844 -2.796 -0.421) 5.609 14.768 ( 0.661 0.382 -1.174) 1.400 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -0.000 20.883 18.873) 28.148 0.602 ( -0.000 27.523 8.201) 28.719 1.019 ( -0.000 49.248 4.449) 49.449 2.134 ( 0.000 3.156 -0.761) 3.247 2.251 ( 0.000 13.781 -1.281) 13.841 4.374 ( -0.000 -3.085 5.819) 6.586 6.982 ( -0.000 5.821 0.686) 5.861 9.418 ( 0.000 -5.762 -32.978) 33.477 10.786 ( 0.000 -3.582 -0.595) 3.631 10.966 ( 0.000 16.755 -15.652) 22.928 13.890 ( -0.000 -22.212 3.357) 22.464 14.770 ( 0.000 12.501 -13.128) 18.128 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 8.052 18.862 13.839) 24.741 1.004 ( 11.168 24.257 4.189) 27.031 1.727 ( 23.649 36.259 6.448) 43.767 2.195 ( 2.803 5.241 -1.312) 6.087 2.516 ( 12.210 20.463 -1.318) 23.866 4.349 ( -1.019 -1.856 0.481) 2.171 7.098 ( 4.892 8.676 0.958) 10.006 9.210 ( -6.550 -16.088 -5.449) 18.205 10.702 ( -3.020 -5.388 -1.435) 6.341 11.113 ( 3.709 16.345 -21.323) 27.122 13.562 ( -11.501 -24.117 7.090) 27.643 14.891 ( 4.083 6.862 -8.768) 11.859 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 12.438 15.755 8.760) 21.901 1.434 ( 12.524 19.215 2.266) 23.047 2.325 ( 5.427 8.391 -1.748) 10.145 2.408 ( 19.946 20.660 5.584) 29.255 3.077 ( 25.780 27.666 -0.656) 37.821 4.305 ( -1.757 -1.871 -2.285) 3.436 7.321 ( 9.346 11.344 0.874) 14.725 8.880 ( -12.762 -13.791 0.854) 18.809 10.586 ( -3.150 -6.470 -0.990) 7.264 11.248 ( 4.150 9.633 -22.586) 24.902 13.116 ( -16.575 -23.365 13.240) 31.559 14.948 ( 0.211 2.192 -8.405) 8.689 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 13.469 13.397 5.527) 19.785 1.797 ( 10.235 13.563 1.637) 17.070 2.532 ( 7.739 12.097 -1.773) 14.469 2.875 ( 15.381 13.056 3.439) 20.466 3.828 ( 28.902 25.110 -2.309) 38.356 4.245 ( -1.707 -1.262 -1.196) 2.436 7.633 ( 12.551 13.487 0.343) 18.427 8.560 ( -11.032 -8.198 -1.762) 13.857 10.468 ( -3.730 -5.135 -0.061) 6.347 11.280 ( 0.594 1.357 -21.909) 21.959 12.641 ( -18.896 -21.738 19.568) 34.821 14.898 ( -3.241 -0.529 -9.605) 10.151 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 13.303 10.994 4.374) 17.804 2.055 ( 6.750 9.494 0.990) 11.691 2.800 ( 8.438 14.497 -1.396) 16.832 3.223 ( 12.219 8.997 0.704) 15.190 4.095 ( -2.646 -3.012 -6.780) 7.877 4.599 ( 25.297 20.322 3.887) 32.681 7.994 ( 13.365 14.194 -0.549) 19.504 8.366 ( -3.901 -1.796 -5.547) 7.015 10.367 ( -3.702 -2.510 0.785) 4.541 11.154 ( -5.231 -5.621 -20.316) 21.719 12.170 ( -20.502 -19.523 22.505) 36.166 14.796 ( -3.372 -1.637 -9.746) 10.442 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 4.049 7.313 0.704) 8.389 2.297 ( 12.347 8.936 4.348) 15.849 3.072 ( 6.575 14.720 -1.051) 16.156 3.463 ( 8.051 5.127 -4.762) 10.667 3.976 ( -4.671 -4.236 -0.858) 6.364 5.178 ( 20.764 14.899 1.890) 25.626 8.308 ( 9.474 6.258 -4.138) 12.085 8.403 ( 7.318 11.255 -5.291) 14.430 10.302 ( -2.773 -0.304 1.502) 3.168 10.889 ( -10.059 -9.636 -15.372) 20.744 11.691 ( -22.712 -16.470 18.658) 33.693 14.715 ( -0.517 -1.962 -7.697) 7.959 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 1.608 6.462 0.222) 6.663 2.590 ( 11.425 6.885 5.123) 14.289 3.291 ( 3.055 13.562 -0.959) 13.935 3.529 ( -0.666 -0.969 -12.343) 12.398 3.899 ( -0.707 -1.451 6.550) 6.746 5.599 ( 14.587 9.050 1.049) 17.199 8.527 ( 14.152 5.674 -6.695) 16.652 8.664 ( 6.920 14.257 -3.902) 16.321 10.266 ( -1.888 -1.404 2.120) 3.167 10.549 ( -13.915 -10.938 -6.640) 18.904 11.215 ( -21.641 -9.673 9.523) 25.546 14.694 ( 2.477 -2.485 -4.446) 5.664 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -0.591 5.664 -0.011) 5.694 2.848 ( 9.906 4.874 5.172) 12.192 3.377 ( -4.935 -3.136 -10.505) 12.022 3.442 ( -2.586 11.055 -0.879) 11.387 3.933 ( 1.840 -0.355 4.846) 5.196 5.856 ( 7.975 3.656 0.582) 8.792 8.798 ( 5.332 9.103 -1.514) 10.658 8.926 ( 16.709 9.747 -8.439) 21.105 10.071 ( -18.127 -13.776 5.081) 23.327 10.293 ( -2.457 -2.345 -0.851) 3.502 10.890 ( -13.125 1.717 1.472) 13.318 14.711 ( 3.566 -3.435 -1.398) 5.145 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -2.662 4.607 -0.140) 5.322 2.974 ( -1.526 -2.511 -1.977) 3.541 3.284 ( 3.409 1.663 -0.784) 3.873 3.485 ( -5.874 10.239 -0.016) 11.805 3.950 ( -0.106 -1.856 1.458) 2.363 5.942 ( 0.576 -1.204 0.294) 1.367 8.876 ( -4.275 7.918 -0.531) 9.014 9.259 ( 9.667 -6.383 -2.776) 11.912 9.699 ( -6.601 2.328 2.149) 7.322 10.268 ( 1.726 -2.697 0.243) 3.211 10.796 ( -5.060 8.617 -0.286) 9.997 14.729 ( 2.928 -4.301 1.134) 5.325 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -4.553 3.199 -0.232) 5.569 2.796 ( -9.396 -5.925 -6.217) 12.730 3.434 ( -8.326 6.975 1.539) 10.970 3.471 ( 7.902 4.881 5.868) 10.986 3.899 ( -2.654 -3.059 -2.273) 4.644 5.853 ( -7.350 -5.223 0.055) 9.017 8.808 ( -9.304 0.722 0.731) 9.361 8.999 ( -16.234 -10.587 7.546) 20.798 10.022 ( 22.007 9.683 -5.669) 24.702 10.299 ( 2.949 2.404 0.547) 3.844 10.876 ( 4.012 10.538 -1.508) 11.377 14.734 ( 1.922 -4.287 3.517) 5.868 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -6.302 1.486 -0.350) 6.484 2.543 ( -11.384 -5.920 -5.235) 13.859 3.299 ( -13.490 4.646 0.676) 14.284 3.638 ( 0.065 -1.158 11.608) 11.665 3.836 ( 3.135 0.562 -7.372) 8.031 5.593 ( -15.434 -8.315 -0.279) 17.534 8.582 ( -11.170 -8.517 5.253) 14.997 8.705 ( -15.883 -0.677 5.211) 16.729 10.248 ( 2.589 0.943 -1.790) 3.286 10.594 ( 20.444 10.061 2.717) 22.947 11.130 ( 14.647 11.137 -8.723) 20.364 14.742 ( 1.855 -2.829 5.959) 6.853 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -8.435 -1.251 -1.017) 8.588 2.263 ( -13.467 -4.905 -2.944) 14.632 3.080 ( -16.047 1.948 0.886) 16.189 3.498 ( -10.878 -5.781 3.000) 12.679 3.982 ( 8.672 3.073 0.460) 9.212 5.165 ( -23.812 -10.817 -0.842) 26.167 8.340 ( -13.609 -5.278 2.966) 14.895 8.459 ( -10.271 -2.053 7.015) 12.607 10.288 ( 1.819 2.364 -1.506) 3.341 11.025 ( 16.711 5.979 14.417) 22.866 11.509 ( 22.349 10.382 -21.086) 32.433 14.787 ( 2.927 -0.327 7.864) 8.397 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -16.085 -6.258 -2.110) 17.388 2.050 ( -11.709 -1.500 -0.152) 11.806 2.812 ( -16.629 0.036 1.040) 16.661 3.218 ( -15.236 -6.585 -0.326) 16.601 4.142 ( 6.322 1.847 3.146) 7.299 4.572 ( -31.940 -12.505 -1.873) 34.352 8.001 ( -19.200 -5.114 1.054) 19.898 8.419 ( 2.453 1.205 5.889) 6.493 10.358 ( 4.294 2.197 -1.119) 4.951 11.330 ( 8.071 2.119 17.917) 19.765 11.961 ( 27.624 9.285 -23.068) 37.168 14.877 ( 3.681 1.610 8.018) 8.968 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -19.031 -5.919 -1.083) 19.960 1.790 ( -16.868 -2.674 0.070) 17.079 2.545 ( -14.174 -0.704 0.993) 14.226 2.851 ( -20.138 -6.794 -1.864) 21.335 3.837 ( -38.174 -12.584 -0.184) 40.195 4.256 ( 3.997 1.152 1.202) 4.330 7.633 ( -18.137 -4.640 0.369) 18.725 8.578 ( 11.179 4.298 2.315) 12.198 10.465 ( 6.558 1.109 -0.561) 6.674 11.446 ( -0.667 -0.352 13.575) 13.596 12.480 ( 29.967 7.855 -14.817) 34.341 14.970 ( 2.243 1.611 6.048) 6.648 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -21.392 -4.719 -0.856) 21.923 1.426 ( -22.943 -2.339 0.463) 23.067 2.336 ( -9.958 -0.647 0.618) 9.998 2.371 ( -29.250 -6.293 -2.357) 30.012 3.079 ( -36.598 -8.009 -0.256) 37.465 4.318 ( 2.160 0.405 0.650) 2.292 7.316 ( -14.612 -2.723 -0.018) 14.863 8.875 ( 17.830 4.189 -0.296) 18.318 10.590 ( 7.354 0.055 -0.068) 7.354 11.397 ( -8.183 -0.785 8.963) 12.162 13.023 ( 29.758 5.140 -6.450) 30.880 15.001 ( -1.688 0.229 3.004) 3.454 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -22.698 -0.000 0.000) 22.698 0.985 ( -27.215 -0.000 0.000) 27.215 1.697 ( -44.160 -0.000 0.000) 44.160 2.201 ( -5.921 -0.000 0.000) 5.921 2.522 ( -23.763 -0.000 0.000) 23.763 4.346 ( 0.981 0.000 -0.000) 0.981 7.093 ( -9.979 -0.000 0.000) 9.979 9.235 ( 21.276 0.000 -0.000) 21.276 10.708 ( 6.251 0.000 -0.000) 6.251 11.217 ( -13.836 -0.000 0.000) 13.836 13.528 ( 27.083 0.000 -0.000) 27.083 14.934 ( -6.558 -0.000 0.000) 6.558 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.000 20.041 16.539) 25.985 1.162 ( -0.000 24.466 7.245) 25.516 1.935 ( -0.000 39.617 4.833) 39.911 2.220 ( 0.000 6.426 -1.538) 6.607 2.648 ( 0.000 28.391 -2.077) 28.467 4.337 ( 0.000 -2.294 -0.782) 2.424 7.160 ( -0.000 11.622 1.345) 11.699 9.073 ( 0.000 -16.077 -4.510) 16.698 10.681 ( 0.000 -6.359 -1.140) 6.460 11.187 ( 0.000 15.141 -20.495) 25.481 13.404 ( -0.000 -29.474 7.059) 30.307 14.904 ( 0.000 7.686 -9.097) 11.909 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 3.299 19.061 13.317) 23.485 1.481 ( 7.152 20.681 5.417) 22.544 2.325 ( 4.212 9.174 -1.847) 10.262 2.393 ( 10.493 27.018 4.715) 29.365 3.059 ( 12.089 35.264 -1.851) 37.325 4.301 ( -0.970 -2.143 -2.607) 3.511 7.331 ( 4.708 14.309 1.591) 15.148 8.880 ( -4.398 -15.281 1.028) 15.934 10.573 ( -3.483 -6.582 -1.861) 7.676 11.251 ( 0.141 9.876 -22.515) 24.586 13.079 ( -6.308 -29.851 11.097) 32.466 14.948 ( 0.347 4.096 -8.204) 9.176 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 7.170 16.450 9.253) 20.190 1.803 ( 7.571 15.760 3.753) 17.883 2.533 ( 7.458 13.851 -1.777) 15.832 2.804 ( 11.063 17.242 3.288) 20.748 3.678 ( 19.904 31.900 -3.012) 37.720 4.254 ( -1.165 -0.697 -1.784) 2.242 7.604 ( 8.748 16.700 1.670) 18.926 8.639 ( -8.674 -10.453 0.843) 13.610 10.456 ( -2.107 -5.650 -1.641) 6.250 11.235 ( -1.130 2.119 -23.150) 23.275 12.695 ( -10.068 -27.977 16.449) 33.980 14.926 ( -2.904 0.847 -8.461) 8.986 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 9.260 13.270 6.422) 17.409 2.062 ( 5.959 11.900 2.523) 13.545 2.823 ( 8.240 18.051 -1.492) 19.899 3.132 ( 10.256 11.369 1.224) 15.360 4.061 ( 1.890 0.493 -9.355) 9.557 4.458 ( 17.434 22.949 5.248) 29.294 7.950 ( 10.720 17.898 1.396) 20.910 8.423 ( -7.031 -3.632 -2.461) 8.288 10.385 ( -1.150 -2.747 -0.423) 3.008 11.108 ( -3.782 -5.577 -22.141) 23.144 12.298 ( -12.642 -25.073 19.788) 34.352 14.826 ( -5.076 -1.163 -8.919) 10.327 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 9.416 9.219 5.515) 14.286 2.265 ( 4.678 11.372 1.248) 12.360 3.130 ( 6.446 18.820 -1.734) 19.969 3.376 ( 7.806 7.198 -2.711) 10.959 3.991 ( -2.718 -3.871 -3.192) 5.706 5.010 ( 18.741 18.927 2.632) 26.765 8.243 ( 4.277 6.450 -1.989) 7.991 8.407 ( 5.586 13.957 -2.465) 15.235 10.355 ( -1.840 1.149 0.680) 2.274 10.874 ( -6.482 -10.656 -18.629) 22.419 11.891 ( -15.477 -21.245 18.362) 32.063 14.701 ( -3.708 -2.624 -8.072) 9.262 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 2.782 8.185 2.217) 8.924 2.501 ( 9.110 9.509 3.551) 13.639 3.368 ( 3.841 10.937 -5.370) 12.776 3.513 ( 1.478 8.716 -6.264) 10.835 3.920 ( -1.553 -1.854 4.570) 5.171 5.450 ( 14.785 11.271 1.604) 18.660 8.360 ( 8.521 4.462 -4.947) 10.816 8.708 ( 6.852 18.976 -1.412) 20.225 10.332 ( -4.131 2.613 1.146) 5.021 10.589 ( -7.962 -12.201 -11.995) 18.871 11.477 ( -17.500 -14.325 12.320) 25.753 14.616 ( 0.245 -4.324 -5.598) 7.078 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -0.456 8.766 0.842) 8.818 2.749 ( 9.300 6.271 4.197) 11.976 3.372 ( -2.315 -3.286 -12.682) 13.304 3.627 ( -2.045 16.071 -0.338) 16.205 3.932 ( 0.077 1.607 6.243) 6.447 5.741 ( 10.148 4.412 1.056) 11.116 8.605 ( 15.720 5.657 -4.450) 17.289 8.956 ( 1.992 16.529 -2.565) 16.845 10.238 ( -10.576 -2.220 3.093) 11.240 10.310 ( -6.888 -9.653 -5.350) 13.010 11.145 ( -13.828 -1.769 4.626) 14.688 14.589 ( 3.848 -6.223 -2.477) 7.724 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -3.336 8.257 0.048) 8.905 2.934 ( 4.778 0.853 1.724) 5.151 3.259 ( -1.192 -0.670 -8.020) 8.135 3.714 ( -4.602 12.412 0.788) 13.261 3.957 ( -2.025 2.830 3.261) 4.769 5.887 ( 4.740 -1.095 0.702) 4.915 8.937 ( 17.836 2.279 -2.701) 18.183 9.061 ( -4.384 9.607 -3.157) 11.022 9.952 ( -17.094 0.804 4.658) 17.735 10.197 ( 1.434 -5.569 -1.814) 6.030 11.004 ( -8.330 7.790 0.080) 11.405 14.599 ( 5.422 -7.529 0.425) 9.288 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -5.690 6.261 -0.599) 8.481 2.869 ( -6.948 -4.075 -5.053) 9.509 3.359 ( 9.190 4.210 1.861) 10.278 3.714 ( -8.322 9.227 1.183) 12.482 3.927 ( -5.025 1.953 0.223) 5.396 5.884 ( -1.807 -4.894 0.423) 5.234 8.941 ( -7.531 -9.236 -1.493) 12.011 9.134 ( -2.526 4.217 3.573) 6.077 9.885 ( 3.245 13.612 -2.465) 14.209 10.231 ( 5.816 -0.618 1.878) 6.143 10.981 ( -4.139 9.327 -2.270) 10.454 14.623 ( 5.404 -7.389 2.907) 9.605 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -7.165 2.691 -1.412) 7.783 2.670 ( -10.467 -2.237 -4.319) 11.542 3.577 ( 8.111 2.384 8.088) 11.700 3.622 ( -11.322 8.376 -0.610) 14.097 3.829 ( -6.199 -0.328 -3.748) 7.251 5.733 ( -9.352 -6.869 0.152) 11.604 8.678 ( -9.652 -11.447 3.369) 15.347 9.012 ( -15.575 4.200 3.267) 16.459 10.175 ( 10.700 10.032 -3.625) 15.108 10.392 ( 11.878 5.345 2.986) 13.363 11.045 ( 4.022 7.394 -5.447) 10.026 14.659 ( 5.119 -5.423 4.908) 8.927 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -8.495 -1.901 -2.561) 9.074 2.455 ( -12.610 0.684 -1.675) 12.739 3.429 ( -17.898 6.560 1.977) 19.165 3.623 ( -8.722 -3.772 4.004) 10.312 3.844 ( 10.023 2.556 -2.801) 10.717 5.432 ( -17.841 -7.496 -0.176) 19.352 8.452 ( -7.268 -7.246 4.870) 11.360 8.746 ( -19.336 1.391 2.564) 19.555 10.307 ( -0.190 5.653 -1.391) 5.824 10.783 ( 21.894 6.376 7.399) 23.974 11.229 ( 13.217 5.023 -12.806) 19.077 14.726 ( 5.370 -2.281 5.996) 8.366 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -12.675 -3.620 -2.164) 13.358 2.251 ( -12.457 1.139 -0.210) 12.511 3.158 ( -20.548 4.319 1.221) 21.033 3.402 ( -12.558 -4.609 0.389) 13.383 4.032 ( 9.173 1.494 0.770) 9.326 4.979 ( -27.015 -7.177 -0.525) 27.958 8.278 ( -13.385 -2.653 1.915) 13.779 8.469 ( -9.605 -0.616 3.849) 10.366 10.338 ( 0.196 3.072 -1.108) 3.272 11.211 ( 15.716 2.917 18.046) 24.107 11.515 ( 23.101 4.088 -22.551) 32.541 14.830 ( 5.625 0.306 5.479) 7.859 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -17.036 -2.333 -0.684) 17.208 2.037 ( -13.817 -0.097 -0.111) 13.818 2.843 ( -19.637 1.514 0.575) 19.704 3.116 ( -16.744 -3.064 -0.369) 17.026 4.178 ( 6.491 0.506 1.371) 6.654 4.383 ( -35.322 -5.076 -0.947) 35.698 7.939 ( -20.980 -1.671 0.306) 21.049 8.469 ( 5.253 0.884 2.226) 5.773 10.384 ( 3.457 0.862 -0.540) 3.603 11.436 ( 5.521 0.244 8.704) 10.310 11.973 ( 30.876 3.131 -10.705) 32.829 14.940 ( 4.612 0.914 3.211) 5.694 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -20.286 -0.000 0.000) 20.286 1.768 ( -18.083 -0.000 0.000) 18.083 2.549 ( -15.342 -0.000 0.000) 15.342 2.772 ( -21.906 -0.000 0.000) 21.906 3.705 ( -40.119 -0.000 0.000) 40.119 4.271 ( 3.951 0.000 -0.000) 3.951 7.588 ( -18.804 -0.000 0.000) 18.804 8.633 ( 12.535 0.000 -0.000) 12.535 10.471 ( 6.319 0.000 -0.000) 6.319 11.486 ( -1.160 -0.000 0.000) 1.160 12.510 ( 31.676 0.000 -0.000) 31.676 15.007 ( 1.855 0.000 -0.000) 1.855 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.000 17.729 13.421) 22.236 1.629 ( -0.000 18.699 5.648) 19.534 2.371 ( 0.000 10.303 -2.026) 10.500 2.588 ( -0.000 25.573 3.862) 25.863 3.325 ( 0.000 39.388 -2.516) 39.468 4.281 ( 0.000 -1.686 -2.950) 3.398 7.448 ( -0.000 16.625 1.723) 16.715 8.780 ( -0.000 -12.585 2.905) 12.916 10.534 ( 0.000 -7.594 -1.456) 7.733 11.258 ( 0.000 5.149 -25.092) 25.614 12.856 ( -0.000 -31.711 12.500) 34.086 14.964 ( 0.000 3.707 -7.206) 8.104 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 1.912 16.046 10.762) 19.416 1.857 ( 4.960 14.284 4.521) 15.782 2.535 ( 6.534 13.357 -1.748) 14.972 2.867 ( 4.395 20.056 2.629) 20.700 3.758 ( 7.837 32.791 -5.063) 34.092 4.268 ( -0.067 3.043 -0.574) 3.097 7.667 ( 4.891 18.504 1.893) 19.233 8.654 ( -3.861 -8.594 3.269) 9.973 10.431 ( -2.262 -6.488 -1.866) 7.120 11.189 ( -1.014 -1.620 -26.233) 26.302 12.562 ( -3.391 -30.529 15.797) 34.541 14.958 ( -1.890 1.728 -6.680) 7.154 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 4.592 13.456 7.920) 16.275 2.085 ( 5.878 10.889 3.364) 12.823 2.833 ( 10.743 17.151 -1.200) 20.273 3.123 ( 5.277 13.888 0.402) 14.862 4.013 ( 2.038 3.093 -9.309) 10.019 4.486 ( 9.479 25.810 4.746) 27.902 7.979 ( 8.500 19.676 2.307) 21.558 8.507 ( -6.724 -3.042 0.634) 7.407 10.354 ( 0.280 -3.628 -1.588) 3.970 11.034 ( -2.773 -7.837 -24.358) 25.737 12.245 ( -6.067 -28.202 17.681) 33.835 14.884 ( -5.186 -0.214 -6.903) 8.637 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 6.391 10.033 6.484) 13.548 2.294 ( 5.766 10.524 2.027) 12.170 3.186 ( 8.413 18.514 -2.028) 20.437 3.321 ( 6.732 8.401 -2.725) 11.105 3.981 ( -1.252 -2.466 -3.745) 4.655 4.951 ( 12.904 22.968 2.885) 26.502 8.273 ( 1.536 9.424 0.790) 9.581 8.462 ( 3.212 13.081 -0.463) 13.477 10.362 ( 2.440 0.683 -0.567) 2.597 10.801 ( -4.887 -11.784 -20.754) 24.362 11.913 ( -8.310 -25.303 16.708) 31.439 14.746 ( -6.823 -1.930 -7.042) 9.993 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 6.334 6.696 5.780) 10.879 2.505 ( 5.566 11.860 0.944) 13.136 3.345 ( 2.003 2.570 -8.519) 9.121 3.582 ( 6.782 17.560 -2.439) 18.981 3.943 ( -0.699 -0.023 3.634) 3.700 5.349 ( 11.485 13.977 1.780) 18.178 8.312 ( 1.199 5.082 -2.160) 5.651 8.778 ( 7.991 20.418 1.107) 21.953 10.424 ( 0.346 5.348 0.427) 5.376 10.527 ( -5.769 -13.388 -16.022) 21.662 11.576 ( -9.800 -20.231 12.897) 25.916 14.592 ( -4.950 -4.070 -6.177) 8.900 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 4.291 6.671 4.199) 8.975 2.710 ( 5.144 10.169 1.040) 11.443 3.320 ( -0.074 -3.227 -11.825) 12.257 3.765 ( -0.174 7.665 0.890) 7.718 4.021 ( 0.838 12.909 4.480) 13.690 5.621 ( 9.149 5.010 1.224) 10.503 8.446 ( 8.433 6.570 -1.787) 10.838 9.073 ( 3.851 17.303 0.109) 17.727 10.267 ( -4.672 -12.082 -10.511) 16.682 10.435 ( -7.546 5.723 1.992) 9.678 11.299 ( -7.864 -9.352 6.936) 14.050 14.476 ( -0.368 -6.804 -4.075) 7.940 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( -0.381 8.605 1.787) 8.797 2.869 ( 4.571 3.430 1.206) 5.841 3.246 ( -0.790 -0.776 -10.448) 10.506 3.790 ( -0.160 -1.489 4.424) 4.670 4.170 ( -5.174 20.171 1.087) 20.853 5.771 ( 6.771 -2.222 0.947) 7.189 8.689 ( 12.884 4.468 -1.224) 13.691 9.222 ( -2.481 10.434 -0.984) 10.770 10.099 ( 0.544 -8.930 -4.939) 10.219 10.290 ( -15.786 7.233 3.402) 17.694 11.182 ( -4.971 2.882 1.213) 5.872 14.425 ( 4.349 -9.030 -1.260) 10.101 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -5.759 6.179 -1.086) 8.516 2.908 ( -1.142 -1.141 -1.366) 2.115 3.275 ( 4.856 4.900 -3.954) 7.952 3.770 ( 0.276 -5.309 4.296) 6.835 4.222 ( -12.077 19.766 -0.324) 23.166 5.817 ( 3.365 -6.446 0.717) 7.307 8.853 ( 3.876 -6.729 -1.876) 7.989 9.250 ( -1.771 8.874 1.795) 9.225 10.029 ( -1.587 -3.045 -5.191) 6.224 10.208 ( -4.551 13.819 6.098) 15.775 11.141 ( -5.711 5.824 -2.443) 8.515 14.435 ( 7.251 -9.216 1.461) 11.817 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -7.535 0.124 -2.809) 8.042 2.831 ( -8.312 3.544 -1.652) 9.185 3.444 ( 9.721 3.544 0.263) 10.350 3.721 ( -0.986 -5.646 2.892) 6.420 4.142 ( -17.473 15.445 -1.005) 23.342 5.763 ( -2.029 -7.248 0.442) 7.539 8.707 ( -6.542 -10.714 0.213) 12.555 9.281 ( -8.117 5.527 2.857) 10.227 10.078 ( 9.679 5.660 -4.822) 12.205 10.359 ( 2.167 13.060 6.281) 14.653 11.082 ( -3.920 2.414 -5.318) 7.034 14.496 ( 8.240 -6.956 3.327) 11.286 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -8.160 -1.899 -2.550) 8.758 2.687 ( -12.289 3.659 -0.900) 12.853 3.632 ( -0.822 -3.920 10.061) 10.829 3.662 ( 7.626 2.177 -6.426) 10.207 3.932 ( -20.505 8.925 -1.711) 22.429 5.604 ( -9.608 -5.684 0.150) 11.164 8.504 ( -6.467 -7.263 2.139) 9.958 9.095 ( -17.628 2.256 1.578) 17.841 10.349 ( 9.316 7.735 -3.169) 12.517 10.551 ( 8.582 8.469 6.973) 13.928 11.066 ( 5.008 -1.167 -7.799) 9.342 14.596 ( 8.268 -3.459 3.776) 9.726 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -9.637 -1.519 -1.361) 9.851 2.488 ( -13.654 1.557 -0.270) 13.745 3.514 ( -9.671 -0.155 2.744) 10.054 3.606 ( -20.976 1.672 -1.174) 21.076 3.871 ( 10.743 0.956 -0.453) 10.795 5.320 ( -18.861 -3.255 -0.060) 19.140 8.372 ( -4.168 -2.747 1.866) 5.329 8.775 ( -21.096 0.456 0.807) 21.116 10.408 ( -4.146 3.795 -0.646) 5.657 10.938 ( 23.960 3.866 8.653) 25.766 11.181 ( 11.924 -1.171 -10.766) 16.108 14.725 ( 7.857 -0.711 2.579) 8.300 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -12.999 -0.000 0.000) 12.999 2.264 ( -13.341 -0.000 0.000) 13.341 3.219 ( -22.829 -0.000 0.000) 22.829 3.347 ( -12.292 -0.000 0.000) 12.292 4.048 ( 9.242 0.000 -0.000) 9.242 4.902 ( -28.220 -0.000 0.000) 28.220 8.258 ( -13.169 -0.000 0.000) 13.169 8.475 ( -9.051 -0.000 0.000) 9.051 10.370 ( -1.272 -0.000 0.000) 1.272 11.327 ( 9.245 0.000 -0.000) 9.245 11.450 ( 29.808 0.000 -0.000) 29.808 14.852 ( 6.707 0.000 -0.000) 6.707 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -0.000 13.894 10.287) 17.288 1.951 ( -0.000 11.575 3.292) 12.034 2.599 ( 0.000 13.777 -1.644) 13.875 3.036 ( -0.000 18.867 1.463) 18.923 3.939 ( 0.000 16.554 -8.924) 18.807 4.361 ( -0.000 18.717 3.493) 19.040 7.813 ( -0.000 19.105 1.323) 19.151 8.635 ( -0.000 -4.300 4.342) 6.111 10.382 ( 0.000 -6.627 -1.179) 6.731 11.065 ( 0.000 -7.893 -28.913) 29.971 12.341 ( -0.000 -29.647 16.797) 34.075 14.976 ( 0.000 1.687 -5.180) 5.448 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 1.385 11.785 7.767) 14.182 2.100 ( 4.319 8.703 2.956) 10.156 2.811 ( 8.709 14.981 -1.109) 17.364 3.214 ( 1.075 14.236 -1.387) 14.344 3.991 ( 0.284 1.171 -7.652) 7.747 4.662 ( 3.940 29.825 4.092) 30.361 8.054 ( 5.705 19.173 1.272) 20.044 8.591 ( -4.117 0.161 2.542) 4.841 10.311 ( -0.558 -4.370 -1.115) 4.545 10.878 ( 0.161 -12.794 -26.423) 29.358 12.089 ( -2.482 -27.981 16.431) 32.543 14.946 ( -3.499 0.864 -4.634) 5.870 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 3.306 9.312 6.587) 11.875 2.281 ( 6.810 7.809 1.899) 10.534 3.161 ( 13.974 16.328 -0.921) 21.511 3.322 ( 0.447 7.078 -5.945) 9.255 3.971 ( -0.552 -0.481 -2.188) 2.307 5.040 ( 6.169 25.746 2.868) 26.630 8.352 ( 4.678 14.699 1.698) 15.518 8.550 ( -1.370 8.624 -0.244) 8.736 10.300 ( 3.197 -1.227 -0.918) 3.545 10.666 ( -1.041 -14.040 -21.122) 25.384 11.809 ( -4.503 -26.284 14.422) 30.317 14.841 ( -7.383 -0.368 -4.849) 8.841 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 4.610 6.449 6.177) 10.049 2.496 ( 8.163 9.055 0.750) 12.214 3.326 ( -0.952 0.660 -9.796) 9.865 3.569 ( 13.796 16.525 -1.681) 21.592 3.965 ( -0.202 1.187 3.764) 3.952 5.363 ( 5.585 17.401 1.847) 18.369 8.397 ( -4.240 6.754 -0.718) 8.007 8.828 ( 10.021 19.076 1.655) 21.611 10.350 ( 3.067 -7.769 -7.087) 10.954 10.481 ( 0.105 -2.516 -9.797) 10.116 11.518 ( -5.300 -23.450 11.550) 26.672 14.669 ( -9.313 -2.135 -5.107) 10.833 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 5.616 4.828 5.504) 9.227 2.724 ( 6.956 10.024 -0.075) 12.201 3.258 ( -1.019 -3.505 -10.785) 11.386 3.826 ( 0.328 5.806 0.633) 5.849 4.098 ( 8.541 13.435 3.864) 16.383 5.570 ( 3.743 7.674 1.172) 8.618 8.439 ( 1.128 8.323 0.095) 8.400 9.155 ( 6.389 16.226 1.589) 17.511 10.165 ( -2.842 -14.004 -11.423) 18.294 10.577 ( 1.517 9.644 -0.846) 9.799 11.271 ( -2.458 -17.016 8.121) 19.014 14.471 ( -7.632 -4.753 -4.639) 10.117 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 6.069 4.359 4.594) 8.772 2.890 ( 0.887 7.301 -1.387) 7.484 3.194 ( 1.900 -1.530 -9.556) 9.862 3.807 ( -3.327 -2.062 4.306) 5.819 4.406 ( 4.101 21.124 0.769) 21.532 5.655 ( 3.148 -2.151 0.877) 3.912 8.591 ( 6.216 7.978 1.418) 10.212 9.340 ( -0.240 9.346 0.209) 9.352 9.976 ( -0.326 -11.593 -7.391) 13.752 10.610 ( -9.498 10.609 1.585) 14.327 11.199 ( 3.602 -4.119 3.027) 6.254 14.310 ( -2.356 -7.637 -2.999) 8.536 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( -1.256 5.266 0.735) 5.463 2.875 ( 1.028 -1.310 -0.804) 1.849 3.259 ( 3.612 6.977 -6.857) 10.428 3.727 ( -2.137 -6.843 5.398) 8.974 4.607 ( -6.779 22.838 -0.272) 23.825 5.662 ( 4.859 -9.377 0.803) 10.592 8.754 ( 4.142 2.065 0.835) 4.703 9.362 ( -2.867 5.386 0.666) 6.138 9.896 ( 4.188 -8.746 -4.766) 10.805 10.551 ( -11.081 15.012 3.948) 19.072 11.238 ( -0.709 2.241 -1.505) 2.791 14.239 ( 4.359 -8.724 -0.548) 9.768 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -7.358 -1.362 -2.875) 8.017 2.961 ( -0.258 4.662 1.484) 4.900 3.366 ( 3.224 6.755 -4.805) 8.895 3.655 ( 1.179 -8.482 4.996) 9.915 4.602 ( -17.027 17.456 -0.569) 24.391 5.657 ( 5.109 -9.326 0.591) 10.650 8.721 ( -4.998 -5.094 -0.465) 7.152 9.413 ( -0.807 5.940 2.853) 6.639 9.913 ( 8.299 -4.326 -3.986) 10.172 10.584 ( -5.565 17.401 5.468) 19.070 11.171 ( -6.878 -0.846 -4.661) 8.351 14.282 ( 9.098 -6.588 1.352) 11.314 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -7.836 -1.104 -1.525) 8.059 2.916 ( -9.747 3.360 -0.080) 10.310 3.496 ( 8.534 1.989 -1.264) 8.853 3.630 ( 1.132 -4.042 2.285) 4.779 4.385 ( -22.165 7.722 -0.417) 23.475 5.640 ( -0.251 -4.309 0.227) 4.322 8.562 ( -6.915 -3.936 0.190) 7.959 9.362 ( -10.624 1.586 1.197) 10.808 10.110 ( 16.868 0.949 -1.587) 16.969 10.708 ( -2.770 15.610 6.849) 17.270 10.991 ( -5.003 -7.815 -7.074) 11.668 14.411 ( 10.464 -2.827 1.530) 10.947 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -8.384 -0.000 0.000) 8.384 2.729 ( -13.328 -0.000 0.000) 13.328 3.604 ( -2.832 -0.000 0.000) 2.832 3.676 ( 11.135 0.000 -0.000) 11.135 4.027 ( -23.591 -0.000 0.000) 23.591 5.543 ( -9.202 -0.000 0.000) 9.202 8.437 ( -5.358 -0.000 0.000) 5.358 9.120 ( -18.167 -0.000 0.000) 18.167 10.410 ( 13.359 0.000 -0.000) 13.359 10.719 ( -1.520 -0.000 0.000) 1.520 10.978 ( 9.282 0.000 -0.000) 9.282 14.574 ( 9.653 0.000 -0.000) 9.653 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -0.000 6.858 1.167) 6.957 2.168 ( -0.000 9.561 7.604) 12.216 2.867 ( 0.000 13.676 -0.975) 13.711 3.323 ( 0.000 10.318 -5.045) 11.486 3.978 ( 0.000 0.534 -4.013) 4.049 4.938 ( -0.000 29.696 3.476) 29.899 8.181 ( 0.000 17.199 -0.214) 17.201 8.655 ( -0.000 3.776 1.715) 4.148 10.279 ( -0.000 -3.051 0.043) 3.051 10.645 ( 0.000 -16.621 -24.498) 29.605 11.888 ( -0.000 -26.869 14.258) 30.418 14.979 ( 0.000 1.441 -3.103) 3.422 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 4.861 5.867 0.510) 7.637 2.282 ( 1.129 7.369 6.497) 9.889 3.083 ( 10.192 12.903 -0.782) 16.461 3.364 ( -0.811 3.772 -9.531) 10.282 3.984 ( -0.350 2.333 0.924) 2.533 5.238 ( 1.833 25.489 2.721) 25.699 8.398 ( 6.565 14.798 -0.442) 16.195 8.670 ( -3.444 6.748 -1.552) 7.734 10.254 ( -0.082 -1.791 -0.410) 1.839 10.442 ( 2.714 -15.148 -17.401) 23.229 11.650 ( -2.123 -25.754 11.280) 28.196 14.943 ( -4.957 1.199 -2.679) 5.761 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 2.637 5.323 5.882) 8.360 2.421 ( 8.770 6.008 -0.007) 10.631 3.313 ( -1.165 -1.389 -11.010) 11.158 3.446 ( 16.040 12.900 -1.256) 20.622 4.008 ( -1.162 2.954 4.171) 5.242 5.495 ( 1.384 18.955 1.930) 19.103 8.548 ( -4.123 7.774 -1.923) 9.007 8.811 ( 11.033 14.408 -1.085) 18.179 10.196 ( 0.866 -11.376 -7.978) 13.922 10.387 ( 5.027 -0.744 -4.023) 6.482 11.390 ( -3.199 -23.270 8.388) 24.942 14.815 ( -9.811 0.170 -3.020) 10.266 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 4.087 3.987 5.095) 7.653 2.650 ( 10.753 6.370 -0.257) 12.500 3.222 ( -2.221 -3.558 -10.165) 10.996 3.839 ( 11.186 11.629 -1.660) 16.221 4.047 ( 4.684 3.318 5.509) 7.956 5.652 ( -1.220 11.213 1.259) 11.350 8.544 ( -3.031 8.234 -1.147) 8.848 9.162 ( 11.343 13.578 0.404) 17.698 10.042 ( -1.910 -11.938 -8.214) 14.617 10.536 ( 10.261 4.500 -1.115) 11.260 11.155 ( -2.564 -18.078 6.363) 19.336 14.605 ( -12.510 -1.636 -3.416) 13.071 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 5.520 2.891 4.077) 7.446 2.888 ( 8.569 6.687 -0.456) 10.879 3.123 ( -0.937 -3.644 -8.275) 9.091 3.892 ( -5.532 1.080 2.700) 6.250 4.390 ( 17.651 12.868 0.944) 21.864 5.673 ( -4.663 2.655 0.781) 5.422 8.619 ( 1.739 8.857 1.476) 9.146 9.405 ( 3.747 8.340 0.128) 9.144 9.863 ( -2.883 -10.681 -6.379) 12.771 10.768 ( 6.169 9.505 -1.761) 11.467 11.028 ( 4.898 -11.262 5.441) 13.432 14.360 ( -11.216 -3.950 -3.116) 12.293 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 6.690 1.828 2.715) 7.447 2.941 ( -4.752 0.119 -2.599) 5.418 3.189 ( 9.588 4.337 -4.461) 11.430 3.777 ( -7.578 -2.883 3.399) 8.791 4.795 ( 11.312 17.305 -0.088) 20.674 5.560 ( -5.552 -7.205 0.617) 9.117 8.751 ( 2.579 6.301 2.482) 7.246 9.460 ( -2.843 4.206 -0.180) 5.080 9.731 ( 1.853 -9.525 -4.606) 10.741 10.830 ( -6.092 9.269 2.026) 11.275 11.161 ( 10.949 -1.193 0.285) 11.018 14.162 ( -4.848 -5.380 -1.744) 7.449 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -5.849 -1.160 -1.658) 6.189 2.931 ( 6.054 1.799 1.484) 6.487 3.381 ( 6.827 7.358 -4.713) 11.089 3.613 ( -6.903 -6.790 4.342) 10.612 5.026 ( -10.296 18.943 -0.534) 21.567 5.426 ( 7.149 -14.223 0.650) 15.932 8.780 ( -4.123 0.298 0.595) 4.176 9.476 ( -0.207 5.072 1.922) 5.428 9.712 ( 6.913 -6.549 -3.416) 10.116 10.827 ( -5.238 8.533 2.808) 10.399 11.239 ( -1.639 -0.564 -2.032) 2.670 14.107 ( 4.311 -3.785 -0.136) 5.738 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -7.327 -0.000 0.000) 7.327 3.020 ( 0.859 0.000 -0.000) 0.859 3.454 ( -3.264 -0.000 0.000) 3.264 3.547 ( 5.923 0.000 -0.000) 5.923 4.801 ( -21.560 -0.000 0.000) 21.560 5.539 ( 8.844 0.000 -0.000) 8.844 8.668 ( -7.514 -0.000 0.000) 7.514 9.489 ( -3.208 -0.000 0.000) 3.208 9.849 ( 13.124 0.000 -0.000) 13.124 10.828 ( -1.102 -0.000 0.000) 1.102 11.101 ( -11.616 -0.000 0.000) 11.616 14.218 ( 10.001 0.000 -0.000) 10.001 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 0.000 4.261 0.023) 4.261 2.356 ( -0.000 5.818 5.293) 7.865 3.104 ( 0.000 10.768 -0.587) 10.784 3.351 ( 0.000 -1.031 -11.995) 12.039 4.031 ( -0.000 4.716 3.483) 5.863 5.469 ( -0.000 22.237 2.273) 22.353 8.455 ( 0.000 11.160 -2.185) 11.372 8.758 ( 0.000 6.393 -5.539) 8.459 10.206 ( 0.000 -14.766 -11.299) 18.593 10.274 ( -0.000 1.922 1.707) 2.570 11.446 ( -0.000 -25.124 7.794) 26.305 14.998 ( 0.000 1.936 -1.441) 2.413 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 5.743 3.550 -0.054) 6.752 2.429 ( 1.070 4.358 4.262) 6.189 3.267 ( 2.092 0.481 -8.015) 8.297 3.314 ( 8.318 5.247 -4.096) 10.654 4.082 ( -1.266 4.607 4.196) 6.359 5.671 ( -0.026 17.177 1.670) 17.258 8.610 ( 5.648 7.878 -2.569) 10.028 8.783 ( 1.392 6.137 -8.162) 10.306 10.063 ( -0.022 -9.429 -3.464) 10.045 10.326 ( 2.186 2.599 1.208) 3.605 11.219 ( -0.761 -22.779 4.728) 23.277 14.960 ( -6.284 1.649 -1.252) 6.617 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 5.540 2.641 4.047) 7.352 2.516 ( 7.354 3.827 -0.573) 8.309 3.190 ( -1.462 -3.660 -9.050) 9.870 3.649 ( 18.928 8.295 -0.946) 20.688 4.094 ( -2.939 2.610 4.042) 5.638 5.801 ( -1.992 11.380 1.153) 11.610 8.657 ( -2.716 5.256 -4.871) 7.663 9.019 ( 16.677 7.460 -3.181) 18.544 9.977 ( -2.176 -4.627 -0.601) 5.148 10.398 ( 5.377 -0.994 0.517) 5.493 11.031 ( 0.253 -15.451 2.818) 15.708 14.810 ( -12.084 0.576 -1.610) 12.204 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 3.999 1.931 2.985) 5.351 2.742 ( 12.759 3.252 -0.451) 13.175 3.104 ( -2.261 -2.849 -6.036) 7.047 4.000 ( 0.379 5.504 -0.436) 5.535 4.133 ( 17.153 2.492 2.733) 17.547 5.821 ( -6.102 5.482 0.700) 8.232 8.678 ( 0.525 5.631 -1.541) 5.862 9.336 ( 12.164 4.339 -1.645) 13.019 9.869 ( -6.938 -2.262 -0.819) 7.343 10.535 ( 16.079 -4.977 -0.549) 16.840 10.955 ( 0.724 -4.165 2.407) 4.865 14.565 ( -15.389 -0.826 -1.766) 15.512 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 5.428 0.919 1.490) 5.703 2.980 ( 7.156 2.754 0.938) 7.725 3.031 ( 2.450 -1.812 -4.256) 5.234 3.915 ( -8.463 0.179 1.217) 8.552 4.574 ( 24.066 4.973 0.126) 24.574 5.702 ( -11.419 0.359 0.312) 11.428 8.766 ( 3.268 4.308 0.941) 5.488 9.485 ( 4.216 0.992 -1.156) 4.483 9.700 ( -8.343 -3.252 -1.203) 9.035 10.844 ( 21.757 -1.052 -1.337) 21.824 10.957 ( -0.612 1.158 2.498) 2.821 14.290 ( -13.960 -1.567 -1.142) 14.094 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 6.060 0.000 -0.000) 6.060 2.929 ( -4.631 -0.000 0.000) 4.631 3.229 ( 12.227 0.000 -0.000) 12.227 3.755 ( -10.179 -0.000 0.000) 10.179 5.000 ( 21.819 0.000 -0.000) 21.819 5.457 ( -16.493 -0.000 0.000) 16.493 8.828 ( 0.151 0.000 -0.000) 0.151 9.552 ( -5.037 -0.000 0.000) 5.037 9.561 ( 4.779 0.000 -0.000) 4.779 10.939 ( -3.076 -0.000 0.000) 3.076 11.149 ( 12.434 0.000 -0.000) 12.434 14.100 ( -6.057 -0.000 0.000) 6.057 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 0.000 2.399 -0.325) 2.421 2.467 ( -0.000 3.016 3.100) 4.325 3.217 ( 0.000 -4.225 -9.963) 10.822 3.274 ( 0.000 6.736 -0.334) 6.744 4.151 ( -0.000 4.305 3.558) 5.585 5.827 ( -0.000 13.201 1.139) 13.250 8.594 ( 0.000 4.925 -2.704) 5.619 8.783 ( 0.000 1.338 -12.232) 12.305 10.007 ( -0.000 -2.510 3.514) 4.319 10.355 ( -0.000 4.296 2.184) 4.820 11.010 ( -0.000 -21.683 1.538) 21.738 15.032 ( 0.000 1.907 -0.456) 1.960 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 6.341 1.719 -0.171) 6.572 2.509 ( 1.238 1.971 2.115) 3.145 3.147 ( -0.502 -3.280 -6.927) 7.681 3.435 ( 12.094 4.656 -0.346) 12.964 4.178 ( -2.112 2.738 2.580) 4.314 5.929 ( -0.987 8.461 0.705) 8.548 8.690 ( 2.536 2.867 -4.221) 5.698 8.790 ( 9.682 0.559 -7.257) 12.113 10.016 ( -1.487 3.227 5.631) 6.658 10.370 ( -2.618 -0.805 0.709) 2.829 10.853 ( 3.850 -14.346 -0.017) 14.853 14.986 ( -7.245 1.253 -0.432) 7.366 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 10.130 0.864 1.546) 10.284 2.562 ( 3.681 1.237 -0.393) 3.903 3.095 ( -1.027 -1.658 -3.367) 3.891 3.755 ( 20.795 2.894 -0.382) 20.998 4.146 ( -4.519 0.845 1.515) 4.841 5.954 ( -3.588 3.778 0.377) 5.224 8.696 ( 0.294 1.512 -3.026) 3.395 9.077 ( 19.462 1.173 -1.713) 19.572 10.026 ( -7.280 6.661 3.800) 10.574 10.282 ( 3.624 -9.359 -1.552) 10.155 10.867 ( 5.970 -2.915 0.441) 6.658 14.813 ( -13.485 0.314 -0.503) 13.498 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 3.964 0.000 -0.000) 3.964 2.772 ( 13.622 0.000 -0.000) 13.622 3.055 ( -2.260 -0.000 0.000) 2.260 4.052 ( -6.965 -0.000 0.000) 6.965 4.167 ( 25.159 0.000 -0.000) 25.159 5.876 ( -7.865 -0.000 0.000) 7.865 8.730 ( 2.922 0.000 -0.000) 2.922 9.357 ( 11.692 0.000 -0.000) 11.692 9.874 ( -12.112 -0.000 0.000) 12.112 10.449 ( 19.971 0.000 -0.000) 19.971 10.943 ( 3.364 0.000 -0.000) 3.364 14.552 ( -16.567 -0.000 0.000) 16.567 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 0.000 0.778 -0.168) 0.796 2.517 ( -0.000 0.920 0.999) 1.358 3.108 ( 0.000 -1.963 -3.714) 4.201 3.361 ( 0.000 2.282 -0.110) 2.285 4.224 ( -0.000 1.529 1.294) 2.003 6.002 ( -0.000 4.300 0.286) 4.310 8.637 ( 0.000 1.227 -1.176) 1.699 8.713 ( 0.000 -0.953 -6.064) 6.138 10.090 ( -0.000 4.894 5.149) 7.104 10.434 ( -0.000 2.095 0.952) 2.301 10.657 ( 0.000 -12.101 -1.814) 12.236 15.059 ( 0.000 0.810 -0.073) 0.813 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 6.560 0.000 -0.000) 6.560 2.534 ( 1.330 0.000 -0.000) 1.330 3.091 ( -0.231 -0.000 0.000) 0.231 3.479 ( 12.295 0.000 -0.000) 12.295 4.213 ( -2.417 -0.000 0.000) 2.417 6.014 ( -1.236 -0.000 0.000) 1.236 8.695 ( -0.254 -0.000 0.000) 0.254 8.771 ( 14.492 0.000 -0.000) 14.492 10.140 ( 1.744 0.000 -0.000) 1.744 10.296 ( -11.999 -0.000 0.000) 11.999 10.716 ( 9.251 0.000 -0.000) 9.251 14.998 ( -7.598 -0.000 0.000) 7.598 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.206 ( -0.000 0.000 22.520) 22.520 0.206 ( -0.000 0.000 22.520) 22.520 0.433 ( -0.000 0.000 47.564) 47.564 2.099 ( 0.000 -0.000 -1.356) 1.356 2.099 ( 0.000 -0.000 -1.356) 1.356 5.159 ( 0.000 -0.000 -4.601) 4.601 6.928 ( -0.000 0.000 1.055) 1.055 6.928 ( -0.000 0.000 1.055) 1.055 10.821 ( 0.000 -0.000 -0.578) 0.578 10.821 ( 0.000 -0.000 -0.578) 0.578 14.141 ( -0.000 0.000 0.440) 0.440 14.338 ( 0.000 -0.000 -0.216) 0.216 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 21.925 12.658 7.101) 26.294 0.620 ( 13.584 7.843 24.051) 28.713 1.137 ( 39.793 22.974 16.749) 48.906 2.123 ( 2.633 1.520 -1.905) 3.588 2.246 ( 12.257 7.076 -1.826) 14.270 4.422 ( -7.681 -4.434 8.462) 12.258 6.988 ( 4.957 2.862 1.326) 5.875 9.215 ( 26.006 15.015 -50.354) 58.628 10.749 ( 6.115 3.531 -22.166) 23.263 10.786 ( -2.912 -1.682 -0.560) 3.409 13.935 ( -16.889 -9.751 6.211) 20.467 14.693 ( 14.340 8.279 -15.462) 22.655 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 15.293 8.829 15.545) 23.526 1.103 ( 21.400 12.356 3.585) 24.970 2.029 ( 32.944 19.020 10.726) 39.523 2.208 ( 5.454 3.149 -2.334) 6.716 2.656 ( 25.288 14.600 -1.600) 29.244 4.333 ( -2.798 -1.615 -1.335) 3.495 7.158 ( 9.623 5.556 1.239) 11.180 9.125 ( -15.292 -8.829 -1.104) 17.693 10.692 ( -5.135 -2.965 -0.463) 5.948 10.945 ( 14.954 8.634 -33.101) 37.335 13.518 ( -21.645 -12.497 12.266) 27.841 14.864 ( 5.018 2.897 -11.234) 12.640 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 15.889 9.173 9.412) 20.620 1.556 ( 17.453 10.076 2.435) 20.299 2.359 ( 8.715 5.032 -2.456) 10.359 2.643 ( 20.494 11.832 6.418) 24.519 3.367 ( 35.190 20.317 -0.741) 40.641 4.266 ( -2.435 -1.406 -3.654) 4.611 7.425 ( 13.531 7.812 0.676) 15.639 8.740 ( -16.683 -9.632 0.591) 19.273 10.561 ( -6.031 -3.482 -0.201) 6.967 11.130 ( 8.511 4.914 -27.344) 29.057 13.053 ( -23.338 -13.474 18.282) 32.564 14.873 ( -0.743 -0.429 -11.431) 11.463 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 15.648 9.034 6.067) 19.060 1.894 ( 11.836 6.833 1.489) 13.747 2.586 ( 11.699 6.755 -1.972) 13.652 3.054 ( 15.019 8.671 3.219) 17.639 4.046 ( 13.803 7.969 -10.070) 18.853 4.293 ( 15.827 9.138 5.495) 19.084 7.761 ( 15.784 9.113 -0.300) 18.228 8.428 ( -9.744 -5.626 -3.506) 11.785 10.430 ( -5.377 -3.104 0.304) 6.216 11.144 ( -0.633 -0.366 -22.791) 22.802 12.576 ( -24.354 -14.061 22.011) 35.712 14.791 ( -2.702 -1.560 -11.445) 11.862 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 7.531 4.348 0.577) 8.715 2.139 ( 14.533 8.391 4.918) 17.487 2.855 ( 11.937 6.892 -1.198) 13.836 3.344 ( 10.162 5.867 -1.608) 11.844 4.029 ( -3.563 -2.057 -5.156) 6.596 4.888 ( 25.829 14.912 3.181) 29.994 8.117 ( 15.469 8.931 -1.470) 17.922 8.302 ( 0.212 0.122 -6.870) 6.874 10.330 ( -3.407 -1.967 1.048) 4.072 10.977 ( -7.976 -4.605 -18.358) 20.539 12.071 ( -26.284 -15.175 20.266) 36.494 14.711 ( -1.096 -0.633 -9.063) 9.151 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 4.901 2.830 0.026) 5.660 2.464 ( 12.885 7.439 4.915) 15.669 3.099 ( 9.567 5.523 -0.648) 11.066 3.484 ( 3.111 1.796 -10.060) 10.682 3.946 ( -2.536 -1.464 3.095) 4.261 5.404 ( 18.947 10.939 1.782) 21.951 8.397 ( 10.118 5.842 -8.497) 14.446 8.431 ( 12.453 7.190 -2.426) 14.583 10.286 ( -0.982 -0.567 1.803) 2.130 10.701 ( -12.012 -6.935 -11.790) 18.204 11.512 ( -27.088 -15.639 13.543) 34.085 14.694 ( 1.318 0.761 -5.061) 5.284 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 2.886 1.666 -0.227) 3.340 2.752 ( 11.164 6.446 5.031) 13.838 3.275 ( 6.032 3.483 -0.332) 6.973 3.418 ( -4.704 -2.716 -13.769) 14.802 3.949 ( 0.805 0.465 6.447) 6.514 5.754 ( 11.623 6.710 1.066) 13.463 8.654 ( 7.869 4.543 -2.644) 9.463 8.692 ( 17.914 10.343 -9.008) 22.562 10.289 ( 0.453 0.262 2.106) 2.170 10.354 ( -17.704 -10.222 -1.756) 20.519 10.990 ( -19.446 -11.227 4.232) 22.850 14.727 ( 2.152 1.242 -1.403) 2.854 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.995 0.575 -0.306) 1.189 2.973 ( 5.048 2.914 2.262) 6.252 3.267 ( -2.416 -1.395 -9.035) 9.456 3.366 ( 2.090 1.207 -0.134) 2.417 3.979 ( -0.198 -0.114 4.165) 4.171 5.933 ( 3.881 2.241 0.688) 4.534 8.771 ( 3.116 1.799 -1.896) 4.067 9.127 ( 21.886 12.636 -9.475) 26.990 9.883 ( -22.729 -13.123 6.166) 26.960 10.304 ( 0.034 0.020 1.662) 1.662 10.722 ( -4.892 -2.824 -0.761) 5.700 14.769 ( 1.292 0.746 1.285) 1.969 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -0.900 -0.519 -0.283) 1.077 2.886 ( -8.565 -4.945 -6.841) 12.025 3.368 ( -1.937 -1.118 0.028) 2.237 3.382 ( 10.001 5.774 2.531) 11.822 3.950 ( -3.226 -1.863 1.577) 4.045 5.931 ( -4.220 -2.436 0.495) 4.897 8.784 ( -1.647 -0.951 -0.492) 1.964 9.263 ( -17.566 -10.142 4.381) 20.752 9.768 ( 21.325 12.312 -5.584) 25.249 10.294 ( -1.183 -0.683 0.637) 1.508 10.730 ( 5.044 2.912 0.158) 5.826 14.789 ( -0.050 -0.029 3.445) 3.445 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -2.842 -1.641 -0.193) 3.287 2.646 ( -10.454 -6.036 -6.410) 13.668 3.280 ( -5.831 -3.366 0.206) 6.736 3.626 ( 9.201 5.312 6.944) 12.692 3.847 ( -5.212 -3.009 -2.870) 6.668 5.746 ( -12.121 -6.998 0.335) 14.000 8.689 ( -7.020 -4.053 0.942) 8.161 8.859 ( -17.308 -9.993 8.807) 21.840 10.264 ( -1.112 -0.642 -0.502) 1.379 10.317 ( 26.118 15.079 -6.536) 30.859 10.928 ( 12.109 6.991 -1.600) 14.074 14.794 ( -0.464 -0.268 5.566) 5.592 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -4.972 -2.871 -0.038) 5.742 2.377 ( -11.908 -6.875 -4.459) 14.456 3.109 ( -9.259 -5.346 0.434) 10.701 3.626 ( -9.990 -5.768 4.757) 12.478 3.897 ( 9.317 5.379 -1.672) 10.888 5.386 ( -19.775 -11.417 0.036) 22.834 8.471 ( -12.503 -7.219 1.739) 14.542 8.566 ( -10.746 -6.204 9.528) 15.645 10.257 ( 1.007 0.581 -1.211) 1.678 10.870 ( 22.586 13.040 3.659) 26.335 11.241 ( 17.110 9.879 -12.772) 23.526 14.814 ( 0.705 0.407 7.475) 7.519 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -13.991 -8.078 -1.944) 16.272 2.109 ( -7.773 -4.488 0.250) 8.979 2.873 ( -11.497 -6.638 0.677) 13.293 3.364 ( -13.646 -7.878 0.885) 15.782 4.088 ( 7.250 4.186 0.770) 8.407 4.853 ( -27.346 -15.788 -0.329) 31.578 8.147 ( -16.136 -9.316 1.698) 18.710 8.442 ( -2.441 -1.409 8.047) 8.526 10.308 ( 3.838 2.216 -1.314) 4.623 11.303 ( 11.325 6.539 17.082) 21.513 11.644 ( 24.773 14.302 -25.880) 38.575 14.875 ( 2.469 1.425 8.095) 8.583 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -16.368 -9.450 0.660) 18.912 1.889 ( -12.163 -7.022 0.904) 14.073 2.612 ( -11.290 -6.518 0.736) 13.057 3.016 ( -17.273 -9.972 -0.819) 19.962 4.153 ( -31.404 -18.131 -4.228) 36.508 4.228 ( 2.301 1.329 4.283) 5.040 7.775 ( -16.615 -9.592 1.194) 19.222 8.506 ( 6.325 3.652 4.775) 8.726 10.416 ( 5.865 3.386 -1.094) 6.860 11.484 ( 1.747 1.009 10.315) 10.511 12.189 ( 28.064 16.202 -16.271) 36.260 14.960 ( 2.628 1.517 6.423) 7.104 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -18.435 -10.644 3.280) 21.538 1.555 ( -17.768 -10.258 2.185) 20.633 2.386 ( -8.586 -4.957 0.395) 9.922 2.566 ( -22.825 -13.178 -1.648) 26.408 3.361 ( -34.986 -20.199 -1.286) 40.419 4.304 ( 2.321 1.340 0.452) 2.718 7.425 ( -14.204 -8.201 0.700) 16.417 8.745 ( 13.677 7.897 1.060) 15.829 10.555 ( 6.419 3.706 -0.840) 7.459 11.466 ( -5.112 -2.952 5.339) 7.959 12.786 ( 27.534 15.897 -7.288) 32.618 15.009 ( -0.024 -0.014 2.721) 2.721 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -19.556 -11.291 7.530) 23.804 1.109 ( -22.085 -12.751 4.166) 25.840 1.918 ( -35.123 -20.278 -1.021) 40.569 2.228 ( -5.493 -3.171 -0.164) 6.345 2.662 ( -24.632 -14.221 -0.946) 28.458 4.340 ( 1.099 0.635 -0.130) 1.276 7.151 ( -9.990 -5.768 0.511) 11.547 9.108 ( 17.834 10.297 -2.979) 20.808 10.690 ( 5.405 3.121 -0.670) 6.278 11.290 ( -11.042 -6.375 -0.852) 12.778 13.373 ( 25.086 14.483 -0.804) 28.977 14.959 ( -4.682 -2.703 -2.409) 5.919 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -0.000 24.544 12.912) 27.733 0.731 ( -0.000 18.947 22.389) 29.330 1.124 ( -0.000 40.749 19.609) 45.222 2.121 ( 0.000 3.214 -2.157) 3.871 2.233 ( 0.000 13.909 -2.609) 14.152 4.445 ( -0.000 -11.889 8.169) 14.425 6.993 ( -0.000 5.809 1.626) 6.033 8.996 ( 0.000 41.252 -53.634) 67.663 10.778 ( 0.000 -3.673 -1.094) 3.832 10.793 ( 0.000 10.249 -17.681) 20.437 13.936 ( -0.000 -21.081 5.919) 21.896 14.631 ( 0.000 17.025 -14.860) 22.598 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 5.490 16.870 19.405) 26.292 1.063 ( 8.354 22.787 9.524) 26.072 1.814 ( 23.597 32.894 12.641) 42.410 2.177 ( 2.721 5.359 -2.604) 6.550 2.498 ( 12.543 20.494 -2.636) 24.172 4.351 ( -2.348 -4.130 -0.427) 4.770 7.110 ( 4.787 8.671 1.792) 10.065 9.139 ( 0.909 -6.824 -10.121) 12.241 10.673 ( -3.265 -3.305 -6.391) 7.901 10.882 ( 1.715 16.877 -25.584) 30.698 13.643 ( -9.714 -23.317 10.078) 27.196 14.790 ( 5.089 8.645 -12.723) 16.202 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 9.495 13.947 14.813) 22.452 1.467 ( 11.277 19.158 4.906) 22.766 2.304 ( 5.425 8.569 -2.822) 10.528 2.471 ( 19.000 18.452 8.061) 27.685 3.067 ( 26.345 27.772 -1.479) 38.309 4.276 ( -2.122 -2.117 -4.106) 5.084 7.332 ( 8.993 11.398 1.612) 14.608 8.891 ( -12.692 -13.858 1.744) 18.873 10.570 ( -1.960 -6.388 -2.915) 7.290 11.010 ( 4.407 12.800 -28.531) 31.579 13.249 ( -14.225 -22.634 15.482) 30.892 14.854 ( 0.166 3.040 -11.960) 12.342 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 11.551 12.448 9.511) 19.464 1.819 ( 9.393 13.557 3.213) 16.804 2.513 ( 7.927 12.422 -2.425) 14.934 2.912 ( 14.551 11.727 4.513) 19.226 3.795 ( 25.894 21.954 -4.979) 34.311 4.235 ( 1.611 2.030 -0.887) 2.740 7.639 ( 11.931 13.632 1.001) 18.143 8.548 ( -12.811 -9.108 -0.801) 15.739 10.464 ( -2.993 -5.133 -0.799) 5.996 11.064 ( 1.671 2.911 -24.914) 25.139 12.822 ( -17.013 -21.415 19.718) 33.717 14.800 ( -3.407 0.269 -11.922) 12.403 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 12.485 10.739 6.432) 17.679 2.068 ( 6.085 9.462 1.775) 11.389 2.787 ( 8.676 14.694 -1.588) 17.138 3.230 ( 10.669 7.550 0.576) 13.083 4.024 ( -0.125 -0.949 -8.636) 8.689 4.638 ( 23.935 19.196 4.529) 31.014 7.992 ( 12.543 14.404 0.020) 19.099 8.320 ( -5.470 -2.305 -4.507) 7.453 10.372 ( -3.231 -2.356 0.358) 4.015 10.967 ( -3.636 -4.653 -20.734) 21.559 12.363 ( -20.459 -20.206 19.808) 34.917 14.704 ( -2.757 -0.738 -10.202) 10.594 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 3.467 7.628 0.671) 8.406 2.341 ( 12.356 8.725 5.265) 16.016 3.062 ( 6.800 14.567 -1.071) 16.111 3.411 ( 5.049 3.206 -6.689) 8.973 3.968 ( -1.565 -1.868 -0.639) 2.519 5.198 ( 20.222 14.493 2.555) 25.010 8.266 ( 6.763 3.747 -4.834) 9.118 8.365 ( 8.254 14.118 -3.014) 16.629 10.315 ( -2.407 -0.176 1.301) 2.742 10.749 ( -7.384 -8.176 -15.445) 18.972 11.844 ( -24.707 -18.119 14.992) 34.110 14.651 ( 0.789 -1.227 -6.358) 6.523 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 1.316 6.662 0.077) 6.791 2.635 ( 11.569 6.842 4.803) 14.273 3.280 ( 3.330 12.140 -1.697) 12.702 3.416 ( -2.009 -0.131 -12.288) 12.452 3.956 ( 0.453 -0.616 5.874) 5.923 5.612 ( 14.252 8.846 1.625) 16.852 8.465 ( 14.029 6.427 -6.670) 16.810 8.633 ( 5.999 14.381 -3.011) 15.870 10.286 ( -1.443 -1.165 2.147) 2.837 10.481 ( -10.001 -9.025 -8.095) 15.716 11.295 ( -24.931 -11.818 7.741) 28.655 14.663 ( 3.753 -2.083 -2.230) 4.837 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -0.721 5.777 -0.250) 5.827 2.889 ( 9.421 4.416 3.935) 11.124 3.268 ( -3.887 -3.036 -12.874) 13.786 3.437 ( -1.809 12.350 -0.465) 12.490 3.982 ( 0.697 -1.032 5.781) 5.914 5.863 ( 7.748 3.542 1.110) 8.591 8.780 ( 7.892 9.725 -2.393) 12.751 8.849 ( 13.751 10.385 -8.233) 19.098 10.113 ( -16.882 -12.232 4.250) 21.276 10.285 ( -0.340 -3.357 -0.816) 3.472 10.901 ( -15.072 1.149 0.892) 15.142 14.709 ( 4.498 -3.233 0.920) 5.615 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -2.677 4.626 -0.400) 5.360 2.940 ( -5.166 -4.204 -5.441) 8.601 3.271 ( 8.596 4.502 -2.201) 9.950 3.484 ( -5.833 10.359 -0.051) 11.888 3.975 ( -1.430 -2.759 3.890) 4.979 5.947 ( 0.417 -1.299 0.833) 1.598 8.867 ( -3.925 8.272 -1.529) 9.283 9.213 ( 15.422 -1.014 -7.161) 17.034 9.735 ( -11.798 -1.843 5.411) 13.110 10.273 ( 2.241 -2.957 0.705) 3.777 10.791 ( -5.032 8.396 -0.808) 9.822 14.749 ( 3.638 -4.105 3.195) 6.348 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -4.483 3.096 -0.437) 5.466 2.736 ( -9.272 -5.364 -6.844) 12.711 3.440 ( -9.925 7.817 0.169) 12.635 3.506 ( 11.759 5.435 1.129) 13.003 3.897 ( -4.599 -4.476 2.116) 6.758 5.857 ( -7.492 -5.351 0.695) 9.233 8.811 ( -8.266 1.501 -0.155) 8.402 9.060 ( -14.407 -10.642 5.552) 18.752 9.969 ( 21.491 10.781 -5.799) 24.733 10.303 ( 2.010 2.697 0.406) 3.388 10.864 ( 3.748 8.977 -1.054) 9.785 14.773 ( 2.626 -4.032 5.054) 6.979 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -6.150 1.163 -0.418) 6.273 2.496 ( -10.857 -5.050 -4.939) 12.953 3.304 ( -13.516 4.979 0.422) 14.410 3.737 ( -4.794 -4.104 9.389) 11.313 3.766 ( 8.096 3.090 -7.146) 11.232 5.594 ( -15.637 -8.509 0.558) 17.811 8.620 ( -10.816 -6.134 3.123) 12.820 8.758 ( -15.046 -3.476 6.118) 16.610 10.234 ( 3.160 0.812 -1.353) 3.532 10.589 ( 23.057 14.049 -4.350) 27.348 11.069 ( 10.707 7.757 -3.977) 13.806 14.799 ( 2.604 -2.685 6.527) 7.523 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -9.203 -3.560 -1.319) 9.956 2.245 ( -11.840 -2.207 -1.164) 12.100 3.087 ( -16.056 2.193 0.601) 16.217 3.517 ( -11.884 -6.567 1.123) 13.624 3.983 ( 9.666 3.564 -0.189) 10.304 5.163 ( -24.102 -11.056 0.391) 26.520 8.363 ( -15.373 -5.014 2.233) 16.323 8.525 ( -8.541 -3.579 7.269) 11.773 10.275 ( 1.828 2.312 -1.314) 3.227 11.137 ( 24.241 10.731 7.229) 27.478 11.324 ( 14.773 6.911 -16.587) 23.263 14.855 ( 3.468 -0.647 6.908) 7.757 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -15.366 -6.141 0.372) 16.552 2.053 ( -11.548 -1.660 0.679) 11.686 2.819 ( -16.619 0.104 0.554) 16.628 3.218 ( -15.865 -6.950 0.119) 17.321 4.149 ( 6.557 2.217 -1.519) 7.086 4.568 ( -32.078 -12.781 1.091) 34.547 8.013 ( -19.385 -5.480 1.422) 20.194 8.471 ( 1.656 -0.172 5.657) 5.897 10.347 ( 4.438 2.322 -1.322) 5.181 11.450 ( 6.194 1.042 4.538) 7.749 11.782 ( 30.347 12.261 -12.258) 34.950 14.938 ( 3.712 0.663 5.308) 6.511 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -18.524 -6.453 3.392) 19.907 1.798 ( -16.497 -3.032 1.755) 16.865 2.550 ( -14.195 -0.791 0.117) 14.218 2.842 ( -20.684 -6.737 -0.113) 21.754 3.826 ( -37.760 -11.920 -2.232) 39.660 4.265 ( 3.497 0.656 0.811) 3.649 7.639 ( -18.297 -4.986 1.041) 18.993 8.601 ( 10.080 3.117 2.642) 10.876 10.458 ( 6.713 1.387 -1.088) 6.941 11.501 ( -0.169 -1.340 -2.671) 2.993 12.397 ( 30.919 10.636 -2.301) 32.778 15.006 ( 1.821 0.366 1.712) 2.526 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -20.651 -6.091 7.103) 22.672 1.442 ( -22.437 -3.353 3.094) 22.896 2.336 ( -9.900 -0.784 -0.588) 9.949 2.366 ( -29.638 -5.431 1.228) 30.157 3.072 ( -36.502 -7.543 -1.126) 37.290 4.317 ( 2.112 0.290 -0.918) 2.321 7.320 ( -14.698 -2.951 0.842) 15.015 8.874 ( 16.841 4.095 0.233) 17.333 10.586 ( 7.433 0.341 -0.943) 7.500 11.398 ( -7.626 -3.203 -8.703) 12.006 13.009 ( 29.927 7.785 3.569) 31.128 15.001 ( -2.326 -0.706 -3.069) 3.915 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -0.000 16.972 20.462) 26.585 1.238 ( -0.000 22.854 9.372) 24.701 2.006 ( -0.000 36.647 10.910) 38.236 2.200 ( 0.000 6.533 -2.975) 7.178 2.624 ( 0.000 28.628 -3.076) 28.793 4.323 ( 0.000 -4.093 -2.371) 4.730 7.175 ( -0.000 11.605 2.005) 11.777 9.029 ( 0.000 -8.182 -5.136) 9.660 10.669 ( 0.000 -6.428 -1.464) 6.593 10.950 ( 0.000 16.858 -30.081) 34.483 13.489 ( -0.000 -28.479 10.882) 30.487 14.805 ( 0.000 9.711 -12.194) 15.588 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 1.945 16.469 16.789) 23.598 1.540 ( 6.038 19.726 7.535) 21.962 2.303 ( 4.281 9.454 -3.101) 10.832 2.450 ( 10.169 24.465 7.597) 27.562 3.040 ( 12.430 35.378 -2.288) 37.568 4.269 ( -1.134 -2.336 -4.534) 5.225 7.348 ( 4.698 14.314 2.128) 15.215 8.894 ( -3.944 -13.624 2.287) 14.366 10.550 ( -4.046 -5.926 -3.442) 7.959 11.013 ( 0.925 11.287 -28.661) 30.817 13.197 ( -5.086 -28.819 14.193) 32.525 14.857 ( 0.239 5.738 -11.458) 12.817 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 5.449 14.583 12.414) 19.911 1.844 ( 6.689 15.332 5.214) 17.521 2.513 ( 7.599 14.361 -2.542) 16.445 2.839 ( 10.638 15.567 4.270) 19.332 3.644 ( 18.596 29.129 -4.449) 34.844 4.235 ( 0.435 2.299 -2.420) 3.366 7.622 ( 8.537 16.858 2.204) 19.025 8.650 ( -10.099 -10.898 1.671) 14.951 10.437 ( -1.445 -5.239 -2.817) 6.121 11.010 ( -0.195 3.044 -25.594) 25.776 12.851 ( -8.633 -27.478 17.475) 33.689 14.836 ( -3.322 2.287 -11.174) 11.880 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 8.088 12.395 8.646) 17.140 2.089 ( 5.168 11.609 3.375) 13.148 2.808 ( 8.322 18.340 -1.697) 20.211 3.142 ( 9.424 9.666 0.969) 13.535 3.972 ( 3.284 2.611 -10.100) 10.937 4.504 ( 16.923 21.978 4.731) 28.139 7.965 ( 10.146 18.243 2.006) 20.970 8.403 ( -8.694 -3.988 -1.850) 9.742 10.379 ( -0.346 -2.625 -0.984) 2.825 10.905 ( -2.574 -4.828 -22.232) 22.895 12.472 ( -12.060 -25.625 18.309) 33.724 14.737 ( -5.153 0.145 -10.331) 11.546 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 8.108 8.839 6.567) 13.675 2.278 ( 4.773 11.371 1.812) 12.464 3.114 ( 6.374 18.035 -1.674) 19.202 3.343 ( 5.933 5.671 -4.581) 9.399 3.962 ( -0.210 -0.943 -3.004) 3.155 5.035 ( 18.262 18.290 2.962) 26.015 8.225 ( 1.508 4.319 -1.859) 4.938 8.391 ( 6.270 16.853 -0.978) 18.008 10.360 ( -1.293 1.147 0.336) 1.761 10.708 ( -4.485 -9.620 -18.027) 20.919 12.045 ( -16.490 -22.655 15.273) 31.914 14.628 ( -2.917 -1.698 -7.813) 8.510 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 1.376 9.228 1.504) 9.451 2.538 ( 9.825 8.346 4.627) 13.697 3.306 ( 2.374 3.917 -8.269) 9.453 3.464 ( 1.236 14.317 -4.312) 15.003 3.960 ( 0.341 0.083 4.272) 4.286 5.466 ( 14.530 10.940 1.956) 18.293 8.318 ( 7.648 5.297 -4.041) 10.144 8.699 ( 5.874 19.583 -0.643) 20.455 10.338 ( -3.838 1.377 -0.245) 4.085 10.484 ( -4.775 -9.616 -10.736) 15.183 11.576 ( -19.773 -16.059 9.372) 27.142 14.571 ( 1.609 -3.952 -4.103) 5.919 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -1.116 9.191 0.481) 9.271 2.785 ( 9.462 5.581 3.932) 11.668 3.254 ( -2.415 -2.938 -13.126) 13.666 3.623 ( -1.627 17.219 -0.487) 17.302 3.987 ( -0.133 0.823 5.865) 5.924 5.753 ( 9.967 4.230 1.444) 10.924 8.565 ( 15.151 6.979 -4.348) 17.239 8.937 ( 0.942 17.015 -1.759) 17.132 10.241 ( -2.456 -5.819 -4.277) 7.628 10.284 ( -11.119 -5.052 1.656) 12.325 11.179 ( -16.107 -3.123 2.763) 16.638 14.574 ( 5.182 -6.196 -0.589) 8.099 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -3.641 8.275 -0.213) 9.043 2.938 ( 1.317 -1.203 -0.996) 2.043 3.185 ( 3.215 2.301 -8.016) 8.938 3.722 ( -5.125 14.186 0.812) 15.105 3.991 ( -2.336 0.621 4.211) 4.856 5.895 ( 4.582 -1.216 1.140) 4.876 8.898 ( 17.431 2.477 -5.606) 18.477 9.043 ( -4.187 12.452 -1.019) 13.176 9.997 ( -17.311 -1.065 5.079) 18.072 10.181 ( 3.270 -4.830 -1.596) 6.047 10.999 ( -9.114 7.146 -1.148) 11.638 14.611 ( 6.485 -7.556 2.095) 10.176 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -5.738 5.814 -0.771) 8.206 2.819 ( -7.683 -3.057 -5.902) 10.159 3.357 ( 11.073 4.821 -2.022) 12.245 3.729 ( -9.266 11.332 1.931) 14.765 3.939 ( -5.076 -0.739 2.386) 5.657 5.890 ( -1.942 -5.023 0.935) 5.466 8.922 ( -5.116 -7.644 -2.538) 9.542 9.159 ( -1.370 5.460 1.834) 5.920 9.870 ( 0.482 10.946 -0.770) 10.984 10.248 ( 6.022 1.101 1.750) 6.367 10.958 ( -4.360 8.171 -2.764) 9.665 14.655 ( 6.249 -7.409 3.989) 10.481 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -7.017 1.635 -1.405) 7.340 2.632 ( -10.317 -0.309 -4.017) 11.076 3.583 ( 7.144 4.386 -4.483) 9.506 3.651 ( -9.312 9.339 4.084) 13.806 3.820 ( -7.123 -3.495 2.201) 8.234 5.737 ( -9.477 -7.051 0.782) 11.838 8.705 ( -7.924 -10.955 2.425) 13.736 9.040 ( -15.467 3.407 2.844) 16.091 10.141 ( 12.152 10.528 -3.923) 16.550 10.410 ( 9.749 7.361 0.791) 12.241 11.003 ( 3.358 5.463 -3.732) 7.419 14.705 ( 5.827 -5.665 5.065) 9.576 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -8.462 -2.428 -1.643) 8.956 2.442 ( -12.054 1.964 -1.205) 12.272 3.443 ( -18.438 7.541 1.039) 19.948 3.634 ( -8.844 -4.819 -2.047) 10.278 3.838 ( 10.703 2.458 1.743) 11.119 5.435 ( -17.975 -7.716 0.661) 19.573 8.493 ( -6.917 -7.903 4.119) 11.281 8.770 ( -18.818 0.507 2.643) 19.009 10.295 ( -0.060 5.784 -1.199) 5.907 10.807 ( 24.627 10.519 -3.652) 27.027 11.148 ( 9.578 2.507 -3.588) 10.531 14.776 ( 5.877 -3.098 4.916) 8.265 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -12.203 -3.242 -0.024) 12.626 2.252 ( -12.224 1.113 0.333) 12.279 3.167 ( -20.863 4.411 0.669) 21.335 3.401 ( -12.363 -4.979 -0.544) 13.339 4.030 ( 9.115 1.663 -0.978) 9.317 4.980 ( -27.058 -7.374 0.849) 28.057 8.296 ( -14.829 -3.275 2.062) 15.326 8.502 ( -8.154 -2.279 3.405) 9.125 10.328 ( 0.141 3.391 -1.146) 3.582 11.299 ( 15.468 2.732 -21.662) 26.757 11.378 ( 23.326 6.710 15.295) 28.689 14.869 ( 5.786 -1.193 3.066) 6.656 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -16.506 -2.572 2.430) 16.881 2.042 ( -13.624 -0.347 1.201) 13.681 2.845 ( -19.743 1.243 -0.046) 19.782 3.115 ( -16.704 -2.982 0.215) 16.970 4.158 ( 3.487 0.993 -5.347) 6.461 4.398 ( -32.472 -5.391 3.836) 33.139 7.946 ( -21.077 -2.164 1.165) 21.220 8.486 ( 5.075 -0.980 1.682) 5.435 10.377 ( 3.472 1.399 -0.944) 3.861 11.418 ( 6.263 -0.791 -12.639) 14.128 11.964 ( 30.339 6.681 8.484) 32.203 14.953 ( 4.433 -0.915 -0.380) 4.542 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -19.626 -1.103 4.940) 20.268 1.777 ( -17.920 -0.689 1.984) 18.043 2.545 ( -15.435 -0.256 -0.915) 15.465 2.781 ( -21.536 0.480 1.785) 21.615 3.699 ( -39.477 0.729 -1.513) 39.513 4.267 ( 3.259 -0.378 -0.943) 3.413 7.593 ( -18.813 -0.413 0.899) 18.839 8.634 ( 12.747 -1.164 0.324) 12.804 10.467 ( 6.236 0.528 -0.786) 6.307 11.413 ( -0.923 -1.596 -15.024) 15.136 12.565 ( 30.760 3.269 11.289) 32.929 14.986 ( 1.539 -1.554 -4.582) 5.077 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -0.000 15.120 16.152) 22.124 1.685 ( -0.000 17.230 6.676) 18.479 2.347 ( 0.000 10.736 -3.300) 11.232 2.633 ( -0.000 23.523 5.789) 24.225 3.301 ( 0.000 38.650 -2.686) 38.743 4.247 ( 0.000 -0.720 -4.680) 4.735 7.465 ( -0.000 16.478 1.923) 16.590 8.812 ( -0.000 -11.505 4.226) 12.257 10.520 ( 0.000 -7.548 -1.493) 7.694 10.999 ( 0.000 5.947 -31.052) 31.617 12.986 ( -0.000 -30.431 15.489) 34.146 14.883 ( 0.000 5.631 -10.410) 11.835 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 1.067 13.823 12.378) 18.586 1.904 ( 4.761 13.050 6.001) 15.132 2.515 ( 6.770 13.993 -2.607) 15.762 2.894 ( 4.064 18.299 3.167) 19.010 3.707 ( 6.945 28.869 -6.023) 30.297 4.260 ( 0.983 7.623 -1.143) 7.771 7.685 ( 5.153 18.329 1.947) 19.139 8.686 ( -4.846 -8.791 3.633) 10.675 10.412 ( -2.693 -6.027 -2.358) 7.010 10.940 ( 0.610 -1.306 -27.995) 28.033 12.713 ( -3.017 -29.875 17.020) 34.515 14.883 ( -2.268 3.615 -9.646) 10.548 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 3.915 11.973 9.262) 15.635 2.120 ( 5.407 10.073 4.502) 12.287 2.821 ( 10.813 17.580 -1.585) 20.700 3.124 ( 4.781 11.699 -0.340) 12.643 3.928 ( 2.572 5.129 -9.289) 10.918 4.526 ( 9.529 25.522 4.013) 27.537 8.001 ( 8.750 19.655 2.422) 21.650 8.511 ( -8.216 -3.499 0.280) 8.935 10.338 ( 0.590 -3.172 -1.992) 3.792 10.815 ( -1.243 -7.249 -23.266) 24.401 12.403 ( -5.817 -28.755 16.966) 33.890 14.811 ( -5.692 1.490 -9.097) 10.834 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 6.054 9.519 7.791) 13.710 2.315 ( 5.140 9.773 2.549) 11.333 3.166 ( 7.232 16.820 -2.343) 18.459 3.288 ( 6.760 7.398 -4.486) 10.980 3.949 ( 0.494 1.093 -3.208) 3.425 4.977 ( 12.547 22.271 2.882) 25.724 8.280 ( -0.832 7.313 0.531) 7.379 8.460 ( 4.484 15.466 0.072) 16.104 10.356 ( 3.018 0.764 -0.876) 3.234 10.620 ( -3.598 -10.671 -19.030) 22.112 12.056 ( -8.690 -26.740 14.749) 31.750 14.677 ( -6.912 -0.624 -8.019) 10.605 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 5.290 6.603 6.382) 10.597 2.515 ( 5.787 11.213 1.372) 12.693 3.263 ( 0.910 0.206 -9.483) 9.529 3.559 ( 6.700 18.121 -2.508) 19.482 3.975 ( 0.884 2.552 3.456) 4.386 5.366 ( 11.303 13.558 1.859) 17.750 8.294 ( 0.600 5.792 -1.604) 6.040 8.791 ( 7.458 20.842 1.593) 22.193 10.386 ( -4.516 -11.615 -14.808) 19.354 10.428 ( 1.475 4.713 0.177) 4.941 11.683 ( -11.196 -21.776 10.469) 26.630 14.537 ( -4.269 -3.393 -5.875) 8.016 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 2.485 7.767 3.551) 8.895 2.722 ( 6.229 8.425 1.839) 10.638 3.213 ( -0.668 -2.938 -11.712) 12.093 3.769 ( 1.101 10.732 0.130) 10.789 4.061 ( 0.330 10.466 4.274) 11.309 5.633 ( 9.101 4.742 1.380) 10.355 8.432 ( 7.851 7.930 -1.198) 11.223 9.076 ( 2.910 17.517 0.722) 17.771 10.172 ( -2.507 -10.851 -10.115) 15.044 10.454 ( -6.312 5.577 2.122) 8.686 11.352 ( -10.120 -10.678 4.651) 15.430 14.444 ( 0.899 -6.693 -2.945) 7.367 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -1.976 9.095 0.942) 9.355 2.879 ( 4.703 1.536 1.144) 5.078 3.151 ( 0.272 1.165 -10.316) 10.385 3.828 ( 0.029 0.044 4.088) 4.089 4.179 ( -5.467 18.541 1.071) 19.360 5.781 ( 6.732 -2.396 1.209) 7.248 8.677 ( 11.787 5.907 -1.508) 13.270 9.218 ( -2.697 10.906 0.063) 11.235 10.050 ( 2.111 -8.532 -5.607) 10.425 10.327 ( -14.747 7.030 4.599) 16.972 11.184 ( -6.471 2.091 -0.728) 6.840 14.419 ( 5.707 -9.151 -0.023) 10.785 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -6.171 4.816 -1.589) 7.987 2.892 ( -2.901 0.696 -2.163) 3.685 3.233 ( 7.300 5.275 -5.027) 10.314 3.816 ( -0.036 -5.097 5.634) 7.598 4.218 ( -12.299 19.356 -0.544) 22.939 5.825 ( 3.275 -6.596 1.075) 7.443 8.833 ( 3.376 -5.171 -2.572) 6.690 9.269 ( -0.794 9.680 2.392) 10.003 9.984 ( -1.156 -4.112 -4.544) 6.236 10.264 ( -4.650 14.234 5.968) 16.120 11.113 ( -6.428 4.973 -3.644) 8.907 14.452 ( 8.341 -9.426 2.165) 12.771 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -7.390 -0.320 -2.354) 7.762 2.815 ( -8.849 5.209 -1.871) 10.437 3.421 ( 10.526 3.660 -4.859) 12.157 3.768 ( -1.050 -6.337 6.785) 9.343 4.132 ( -17.776 15.655 -1.061) 23.710 5.769 ( -2.136 -7.439 0.875) 7.789 8.708 ( -5.316 -10.186 0.042) 11.490 9.307 ( -8.462 5.245 2.693) 10.314 10.032 ( 9.774 6.064 -5.133) 12.596 10.415 ( 1.729 14.037 5.862) 15.310 11.033 ( -4.265 1.290 -5.270) 6.901 14.525 ( 8.972 -7.482 3.119) 12.091 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -8.017 -1.397 -1.217) 8.229 2.679 ( -12.203 4.329 -0.989) 12.986 3.587 ( 5.181 0.595 -8.785) 10.217 3.728 ( 2.470 -3.414 9.796) 10.664 3.919 ( -21.328 9.726 -0.996) 23.462 5.608 ( -9.682 -5.911 0.677) 11.364 8.522 ( -5.599 -7.954 1.871) 9.906 9.110 ( -17.737 1.581 1.827) 17.901 10.314 ( 11.056 8.450 -4.440) 14.606 10.595 ( 5.748 10.023 2.506) 11.823 11.013 ( 5.410 -1.608 -3.356) 6.567 14.625 ( 8.668 -4.587 2.558) 10.135 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -9.476 -0.856 0.586) 9.533 2.487 ( -13.454 1.774 -0.042) 13.571 3.518 ( -6.948 -1.646 -2.142) 7.455 3.596 ( -22.845 3.265 -0.846) 23.093 3.877 ( 9.773 0.603 1.607) 9.923 5.323 ( -18.845 -3.449 0.705) 19.171 8.387 ( -3.991 -4.240 1.355) 5.979 8.784 ( -21.027 -0.376 1.271) 21.068 10.402 ( -3.958 4.295 -0.668) 5.879 10.912 ( 22.009 3.472 -13.247) 25.922 11.181 ( 13.371 1.635 9.614) 16.550 14.739 ( 7.939 -2.420 0.473) 8.313 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -12.865 0.299 2.363) 13.083 2.268 ( -13.176 -0.106 0.768) 13.199 3.214 ( -22.484 -0.857 -0.934) 22.520 3.345 ( -12.160 0.551 -0.378) 12.179 4.039 ( 8.435 0.213 -2.017) 8.675 4.909 ( -27.931 -0.173 1.385) 27.966 8.260 ( -12.709 -1.121 0.486) 12.768 8.473 ( -9.475 -1.637 -0.458) 9.626 10.369 ( -1.336 0.657 -0.180) 1.500 11.185 ( 14.531 -0.593 -20.553) 25.178 11.584 ( 24.478 3.348 18.886) 31.098 14.839 ( 6.513 -1.923 -2.766) 7.333 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -16.910 1.931 3.696) 17.416 2.044 ( -13.694 -0.299 1.407) 13.769 2.835 ( -19.629 -1.738 -1.108) 19.737 3.122 ( -16.175 3.114 0.939) 16.499 4.137 ( 2.429 0.759 -7.043) 7.489 4.411 ( -31.571 4.034 4.674) 32.169 7.941 ( -20.903 1.034 0.589) 20.937 8.447 ( 5.797 -2.678 -2.549) 6.875 10.387 ( 3.283 -0.254 0.080) 3.294 11.299 ( 7.010 -0.926 -19.360) 20.611 12.119 ( 28.728 -0.039 19.080) 34.487 14.896 ( 4.298 -2.553 -6.443) 8.155 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -0.000 10.209 3.497) 10.791 1.989 ( -0.000 11.787 12.460) 17.152 2.581 ( 0.000 14.462 -2.326) 14.648 3.047 ( -0.000 16.711 0.929) 16.737 3.858 ( 0.000 14.613 -8.963) 17.143 4.389 ( -0.000 22.109 2.676) 22.271 7.824 ( -0.000 18.646 0.985) 18.672 8.671 ( -0.000 -4.935 3.589) 6.102 10.372 ( 0.000 -6.309 -0.865) 6.368 10.802 ( 0.000 -6.829 -28.573) 29.377 12.496 ( -0.000 -29.792 16.980) 34.291 14.914 ( 0.000 3.689 -8.142) 8.939 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 2.789 8.900 3.740) 10.049 2.150 ( 2.618 8.856 9.061) 12.938 2.799 ( 8.864 15.429 -1.505) 17.858 3.193 ( 0.732 11.255 -3.190) 11.721 3.924 ( 0.698 4.350 -7.038) 8.303 4.697 ( 3.845 29.379 3.630) 29.852 8.064 ( 6.315 18.646 0.817) 19.704 8.606 ( -5.000 -0.854 0.654) 5.115 10.302 ( -0.949 -3.773 -1.080) 4.038 10.650 ( 1.551 -10.971 -23.371) 25.864 12.235 ( -2.490 -29.302 15.660) 33.317 14.892 ( -3.924 2.740 -7.210) 8.654 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 4.788 8.582 4.739) 10.910 2.310 ( 5.051 6.636 5.646) 10.071 3.152 ( 13.769 16.454 -1.173) 21.487 3.259 ( 0.199 4.101 -8.000) 8.992 3.954 ( 0.401 3.267 -1.496) 3.615 5.066 ( 5.904 25.219 2.686) 26.040 8.364 ( 4.365 13.408 0.965) 14.133 8.542 ( -0.680 8.815 -1.664) 8.996 10.290 ( 2.930 -1.329 -1.628) 3.606 10.492 ( -0.040 -11.224 -16.907) 20.294 11.935 ( -4.569 -28.285 13.228) 31.558 14.788 ( -7.928 1.209 -6.675) 10.434 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 4.490 5.758 7.381) 10.382 2.505 ( 7.886 8.373 1.090) 11.553 3.233 ( -1.045 -0.620 -10.439) 10.510 3.553 ( 13.295 16.515 -1.837) 21.281 3.998 ( 0.957 3.410 3.288) 4.833 5.379 ( 5.351 17.060 1.718) 17.962 8.387 ( -4.037 6.744 -1.430) 7.989 8.842 ( 10.652 18.926 1.386) 21.762 10.255 ( -0.621 -12.057 -12.194) 17.160 10.433 ( 4.236 4.002 -2.116) 6.200 11.617 ( -5.645 -25.365 10.199) 27.915 14.618 ( -9.540 -1.015 -5.962) 11.295 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 5.237 4.197 6.323) 9.221 2.724 ( 6.714 9.580 0.025) 11.698 3.161 ( -1.097 -3.017 -10.477) 10.958 3.826 ( 2.221 8.157 -0.386) 8.463 4.133 ( 7.174 11.597 3.700) 14.129 5.580 ( 3.651 7.443 1.098) 8.363 8.440 ( 1.553 9.154 0.117) 9.285 9.170 ( 6.219 15.857 1.542) 17.103 10.065 ( -2.310 -12.091 -10.486) 16.170 10.574 ( 2.468 9.183 -0.097) 9.509 11.338 ( -3.758 -18.184 6.586) 19.702 14.429 ( -7.212 -4.160 -4.543) 9.485 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 5.517 3.973 4.739) 8.288 2.876 ( 0.133 6.181 -1.589) 6.383 3.111 ( 2.260 0.357 -8.762) 9.056 3.841 ( -2.352 -1.514 3.298) 4.324 4.413 ( 3.608 20.406 0.733) 20.735 5.663 ( 3.205 -2.324 0.910) 4.062 8.604 ( 5.927 9.014 1.431) 10.883 9.344 ( -0.622 8.896 0.656) 8.941 9.909 ( 0.802 -10.305 -7.213) 12.604 10.630 ( -7.967 10.525 2.590) 13.452 11.219 ( 1.457 -4.969 1.248) 5.326 14.285 ( -1.324 -7.448 -2.330) 7.916 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -6.038 1.624 -2.776) 6.841 2.887 ( 5.069 2.066 2.345) 5.955 3.197 ( 3.567 7.837 -6.588) 10.842 3.775 ( -1.541 -6.768 5.109) 8.618 4.604 ( -7.001 22.659 -0.448) 23.720 5.670 ( 4.892 -9.511 0.974) 10.739 8.761 ( 2.894 2.625 0.657) 3.962 9.372 ( -1.864 5.810 1.579) 6.303 9.849 ( 4.503 -8.367 -5.343) 10.901 10.592 ( -10.168 14.749 5.106) 18.628 11.217 ( -2.052 1.852 -3.087) 4.144 14.236 ( 5.486 -8.791 -0.032) 10.362 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -7.178 -0.630 -2.115) 7.510 2.972 ( -1.440 4.946 0.780) 5.210 3.312 ( 4.336 6.631 -6.649) 10.343 3.708 ( 0.976 -8.665 6.350) 10.787 4.596 ( -17.056 17.604 -0.708) 24.522 5.664 ( 5.026 -9.552 0.857) 10.828 8.719 ( -5.129 -4.692 0.116) 6.952 9.439 ( -0.834 5.523 2.831) 6.262 9.872 ( 8.560 -3.200 -4.858) 10.349 10.637 ( -4.859 16.870 6.221) 18.626 11.126 ( -7.856 -0.900 -5.341) 9.542 14.293 ( 9.791 -7.071 1.086) 12.126 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -7.706 -0.116 -0.254) 7.711 2.914 ( -10.043 3.654 -0.466) 10.698 3.447 ( 7.952 3.290 -7.895) 11.679 3.682 ( 1.903 -5.906 7.513) 9.745 4.381 ( -22.148 8.071 -0.316) 23.575 5.643 ( -0.296 -4.608 0.549) 4.650 8.566 ( -6.663 -4.182 0.796) 7.907 9.373 ( -10.828 0.532 1.267) 10.914 10.085 ( 16.721 2.947 -3.822) 17.404 10.773 ( -2.690 15.879 7.196) 17.639 10.930 ( -5.066 -8.226 -6.278) 11.522 14.420 ( 10.677 -3.901 0.419) 11.375 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -8.294 0.860 1.620) 8.495 2.728 ( -13.245 0.358 -0.102) 13.251 3.544 ( 1.730 1.584 -9.371) 9.660 3.723 ( 6.044 -2.362 6.751) 9.364 4.030 ( -23.215 0.457 0.777) 23.233 5.545 ( -9.147 -0.230 0.457) 9.162 8.437 ( -5.541 -1.039 0.027) 5.638 9.123 ( -18.103 -0.903 0.571) 18.135 10.397 ( 14.401 2.483 -3.171) 14.953 10.684 ( -3.572 -4.224 -6.394) 8.455 11.020 ( 10.244 4.233 8.042) 13.695 14.566 ( 9.528 -1.476 -1.635) 9.779 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -9.605 2.035 3.129) 10.304 2.492 ( -13.641 -1.389 0.487) 13.720 3.475 ( -9.017 -0.148 -5.497) 10.562 3.611 ( -19.469 -1.657 -0.304) 19.542 3.884 ( 8.340 -0.912 2.290) 8.697 5.324 ( -18.665 3.088 0.817) 18.936 8.354 ( -4.386 1.207 -2.220) 5.062 8.770 ( -21.282 -1.432 -0.206) 21.331 10.414 ( -4.299 -3.270 0.628) 5.438 10.820 ( 19.350 -1.653 -15.310) 24.730 11.311 ( 16.920 1.340 15.623) 23.068 14.693 ( 7.476 -0.762 -4.381) 8.698 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -12.864 3.750 3.994) 13.981 2.256 ( -12.424 -1.334 0.757) 12.519 3.145 ( -20.094 -4.109 -1.594) 20.572 3.394 ( -11.795 3.952 -1.350) 12.512 4.017 ( 7.623 -1.039 -2.365) 8.049 4.989 ( -26.523 6.952 1.785) 27.477 8.261 ( -10.976 1.710 -1.884) 11.267 8.435 ( -11.884 -0.922 -3.554) 12.438 10.348 ( 0.118 -2.647 0.949) 2.815 11.044 ( 14.307 -1.638 -18.611) 23.532 11.713 ( 24.434 -3.160 20.827) 32.261 14.771 ( 5.056 -1.397 -7.236) 8.938 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -0.000 6.112 1.083) 6.207 2.248 ( -0.000 7.786 9.715) 12.450 2.857 ( 0.000 14.061 -1.230) 14.115 3.265 ( 0.000 6.746 -7.587) 10.152 3.946 ( 0.000 4.602 -2.995) 5.490 4.968 ( -0.000 29.179 3.137) 29.348 8.176 ( 0.000 16.448 -0.833) 16.469 8.655 ( 0.000 2.010 -1.851) 2.732 10.282 ( -0.000 -2.437 0.530) 2.494 10.442 ( 0.000 -13.066 -19.792) 23.716 12.013 ( -0.000 -29.140 13.393) 32.071 14.939 ( 0.000 3.234 -5.657) 6.516 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 4.893 5.382 0.486) 7.290 2.351 ( 1.170 5.784 8.609) 10.438 3.075 ( 10.104 13.026 -1.001) 16.516 3.270 ( -0.673 1.643 -10.926) 11.070 3.993 ( -0.092 5.344 0.985) 5.435 5.262 ( 1.715 25.041 2.368) 25.211 8.391 ( 7.277 14.034 -1.075) 15.845 8.639 ( -3.192 4.915 -5.318) 7.914 10.235 ( -0.782 -5.996 -5.204) 7.978 10.324 ( 3.181 -6.055 -7.025) 9.805 11.749 ( -2.034 -28.433 10.511) 30.382 14.909 ( -5.366 2.766 -4.876) 7.760 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 8.498 5.632 0.189) 10.197 2.457 ( 2.959 3.975 7.722) 9.175 3.212 ( -1.180 -1.514 -11.264) 11.427 3.435 ( 16.095 12.985 -1.167) 20.713 4.041 ( -0.695 4.153 3.141) 5.253 5.511 ( 1.231 18.645 1.591) 18.753 8.521 ( -3.798 6.672 -4.064) 8.686 8.797 ( 13.147 13.845 -1.904) 19.187 10.122 ( -0.547 -10.100 -7.418) 12.543 10.370 ( 5.035 2.253 -0.416) 5.532 11.464 ( -2.942 -25.819 7.843) 27.144 14.780 ( -10.352 1.462 -4.607) 11.424 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 4.021 2.873 6.083) 7.838 2.650 ( 10.627 5.972 0.433) 12.198 3.132 ( -1.926 -2.394 -9.611) 10.090 3.823 ( 11.713 11.875 -1.790) 16.776 4.091 ( 4.369 3.184 4.235) 6.868 5.662 ( -1.362 11.024 0.966) 11.150 8.529 ( -1.363 8.267 -2.078) 8.632 9.162 ( 12.271 12.739 -0.332) 17.691 9.976 ( -3.180 -8.982 -6.160) 11.346 10.528 ( 9.729 4.542 -0.583) 10.753 11.212 ( -2.129 -19.855 6.120) 20.885 14.570 ( -12.827 -0.613 -4.239) 13.523 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 5.311 1.663 4.620) 7.233 2.886 ( 8.261 6.834 0.052) 10.722 3.052 ( -0.861 -2.112 -7.482) 7.822 3.909 ( -4.547 1.382 1.216) 4.906 4.399 ( 17.009 12.136 1.114) 20.924 5.679 ( -4.702 2.512 0.555) 5.360 8.631 ( 2.927 9.175 1.032) 9.686 9.403 ( 4.041 7.413 -0.385) 8.452 9.811 ( -3.644 -8.405 -4.935) 10.406 10.754 ( 7.401 8.330 -1.368) 11.226 11.075 ( 3.583 -11.304 4.927) 12.841 14.331 ( -11.034 -3.158 -3.197) 11.914 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 6.242 0.518 2.369) 6.697 2.919 ( -4.820 0.890 -2.339) 5.431 3.154 ( 9.029 6.044 -3.174) 11.319 3.803 ( -6.592 -3.589 2.314) 7.854 4.795 ( 10.994 17.151 -0.030) 20.372 5.565 ( -5.389 -7.355 0.501) 9.132 8.772 ( 2.447 6.026 2.028) 6.813 9.461 ( -2.056 4.282 0.277) 4.758 9.690 ( 1.419 -8.237 -4.303) 9.401 10.851 ( -4.451 8.727 2.392) 10.084 11.161 ( 9.028 -1.499 -0.387) 9.160 14.147 ( -4.246 -4.833 -1.454) 6.595 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -5.878 0.157 -1.012) 5.967 2.941 ( 6.065 0.666 0.673) 6.138 3.340 ( 4.474 9.162 -4.283) 11.059 3.651 ( -4.653 -8.223 3.985) 10.254 5.020 ( -10.258 18.994 -0.637) 21.596 5.433 ( 7.075 -14.395 0.767) 16.058 8.787 ( -4.537 -0.202 0.920) 4.633 9.494 ( 0.074 4.408 1.990) 4.837 9.679 ( 7.064 -4.539 -3.772) 9.205 10.854 ( -4.464 6.287 3.093) 8.307 11.219 ( -2.613 1.031 -2.373) 3.677 14.106 ( 4.702 -3.712 -0.167) 5.993 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -7.248 1.230 0.987) 7.418 3.016 ( 1.013 -0.852 -0.876) 1.587 3.415 ( -2.671 6.741 -6.500) 9.738 3.583 ( 5.050 -6.446 6.107) 10.215 4.801 ( -21.520 0.434 -0.103) 21.524 5.540 ( 8.852 -0.472 0.252) 8.868 8.672 ( -7.488 -0.178 0.987) 7.555 9.486 ( -3.042 -1.887 -0.545) 3.621 9.844 ( 12.730 2.782 -0.997) 13.068 10.823 ( -1.611 -5.402 -0.812) 5.695 11.108 ( -10.945 5.068 1.368) 12.139 14.215 ( 9.850 -0.552 -0.645) 9.886 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -7.804 1.963 2.664) 8.477 2.915 ( -9.285 -3.095 -0.355) 9.794 3.457 ( 5.458 2.081 -8.037) 9.936 3.653 ( 3.531 -0.545 5.677) 6.708 4.389 ( -22.014 -7.415 0.491) 23.235 5.639 ( -0.151 4.046 0.129) 4.051 8.563 ( -7.462 3.506 0.407) 8.255 9.352 ( -10.143 -2.672 -0.983) 10.535 10.112 ( 16.149 1.406 -1.179) 16.253 10.652 ( -3.476 -15.711 -5.193) 16.908 11.056 ( -3.714 7.463 6.912) 10.829 14.392 ( 10.000 1.980 -2.449) 10.485 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -8.153 2.015 3.555) 9.120 2.695 ( -12.209 -2.882 0.794) 12.569 3.532 ( 2.028 2.699 -11.403) 11.892 3.716 ( 2.364 -2.222 4.916) 5.890 3.952 ( -18.407 -7.974 2.780) 20.252 5.605 ( -9.433 5.511 0.401) 10.932 8.484 ( -7.569 6.327 -2.224) 10.113 9.082 ( -17.445 -3.194 -1.126) 17.771 10.372 ( 9.917 -5.572 1.700) 11.501 10.477 ( 6.574 -7.556 -8.676) 13.251 11.146 ( 6.929 0.090 9.254) 11.561 14.558 ( 7.647 2.760 -4.503) 9.294 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -8.425 0.414 2.728) 8.865 2.474 ( -12.936 1.147 2.452) 13.216 3.406 ( -16.017 -4.799 -3.240) 17.032 3.573 ( -6.748 0.654 -6.553) 9.429 3.879 ( 5.905 -1.359 4.456) 7.522 5.438 ( -17.547 7.303 0.980) 19.031 8.406 ( -7.694 6.287 -5.191) 11.210 8.724 ( -19.689 -2.431 -2.101) 19.950 10.320 ( -0.253 -5.356 1.439) 5.552 10.696 ( 17.898 -3.084 -11.169) 21.321 11.355 ( 17.744 -6.822 14.110) 23.674 14.670 ( 4.586 2.008 -6.252) 8.009 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 0.000 3.970 0.041) 3.970 2.415 ( -0.000 4.131 7.611) 8.660 3.098 ( 0.000 10.956 -0.661) 10.976 3.240 ( 0.000 -1.344 -12.222) 12.296 4.059 ( -0.000 6.092 2.553) 6.606 5.488 ( -0.000 21.805 1.767) 21.877 8.434 ( 0.000 10.675 -2.414) 10.945 8.687 ( 0.000 3.872 -9.814) 10.550 10.129 ( 0.000 -9.253 -5.571) 10.801 10.290 ( -0.000 2.361 1.820) 2.981 11.514 ( -0.000 -28.009 7.255) 28.933 14.975 ( 0.000 3.310 -3.643) 4.923 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 5.824 3.441 -0.097) 6.765 2.479 ( 1.171 2.645 6.815) 7.403 3.175 ( -0.600 -1.946 -10.633) 10.826 3.298 ( 11.153 8.977 -0.943) 14.348 4.113 ( -1.158 4.811 2.818) 5.695 5.684 ( -0.035 16.831 1.133) 16.869 8.581 ( 3.938 6.999 -3.876) 8.918 8.702 ( 5.081 5.434 -8.968) 11.652 10.047 ( -0.917 -4.999 -0.186) 5.085 10.339 ( 1.585 3.010 1.495) 3.716 11.260 ( -0.482 -25.441 4.445) 25.831 14.940 ( -6.614 2.812 -3.187) 7.862 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 9.989 3.323 -0.509) 10.539 2.552 ( 2.975 1.391 6.355) 7.154 3.112 ( -1.126 -1.728 -8.172) 8.429 3.640 ( 18.534 8.466 -0.941) 20.397 4.124 ( -2.507 2.208 2.589) 4.226 5.810 ( -2.006 11.143 0.668) 11.342 8.609 ( -1.218 5.444 -5.544) 7.865 8.991 ( 17.999 7.228 -2.967) 19.622 9.979 ( -4.105 -1.468 1.030) 4.479 10.402 ( 4.854 -1.357 0.268) 5.048 11.058 ( 0.944 -17.354 3.149) 17.663 14.788 ( -12.477 1.621 -3.053) 12.947 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 3.990 0.441 3.541) 5.352 2.743 ( 12.648 3.072 0.797) 13.041 3.054 ( -2.125 -0.591 -4.978) 5.445 3.990 ( 3.491 6.089 -1.706) 7.223 4.158 ( 14.149 1.376 2.596) 14.451 5.825 ( -6.139 5.296 0.269) 8.112 8.663 ( 2.207 6.116 -1.523) 6.678 9.319 ( 12.514 4.299 -2.172) 13.409 9.867 ( -8.533 -0.597 0.444) 8.566 10.526 ( 15.524 -4.842 -1.510) 16.331 10.982 ( 1.654 -5.760 3.567) 6.974 14.545 ( -15.575 0.222 -2.569) 15.787 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 5.242 -0.547 1.763) 5.557 2.993 ( 3.805 3.415 1.651) 5.373 2.997 ( 5.649 -0.017 -3.057) 6.423 3.919 ( -8.081 -0.406 -0.333) 8.098 4.576 ( 23.876 4.742 0.420) 24.346 5.703 ( -11.401 0.179 -0.045) 11.402 8.773 ( 3.919 3.747 0.480) 5.443 9.472 ( 4.476 1.672 -1.773) 5.096 9.696 ( -9.102 -2.138 0.243) 9.353 10.820 ( 19.223 0.615 -3.610) 19.569 10.992 ( 1.992 -1.599 4.817) 5.453 14.279 ( -13.848 -0.493 -1.343) 13.922 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 5.957 -1.036 -0.234) 6.051 2.930 ( -4.595 1.212 0.363) 4.766 3.235 ( 11.978 1.781 1.145) 12.164 3.750 ( -9.960 -1.587 -1.063) 10.141 5.001 ( 21.801 0.162 0.237) 21.803 5.455 ( -16.466 -0.357 -0.268) 16.472 8.825 ( 0.310 -1.439 -0.588) 1.586 9.544 ( -1.278 -4.947 -1.083) 5.223 9.572 ( 0.825 7.318 1.817) 7.585 10.935 ( -2.389 -1.280 -0.816) 2.830 11.152 ( 11.733 0.212 0.718) 11.756 14.100 ( -6.032 0.829 0.066) 6.089 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -5.332 2.341 2.067) 6.179 2.915 ( 5.484 -2.760 -2.017) 6.462 3.424 ( 8.932 -4.611 4.805) 11.141 3.572 ( -8.968 4.311 -4.488) 10.916 5.030 ( -10.435 -18.854 0.356) 21.552 5.421 ( 7.366 14.006 -0.436) 15.831 8.776 ( -3.213 -0.957 -0.303) 3.367 9.461 ( -0.964 -5.130 -1.401) 5.404 9.739 ( 6.577 8.148 2.409) 10.745 10.805 ( -5.913 -10.153 -1.988) 11.916 11.255 ( -0.589 1.417 1.366) 2.055 14.108 ( 3.718 4.009 0.088) 5.469 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -7.402 1.764 3.403) 8.336 2.945 ( 0.943 -4.290 -2.191) 4.909 3.391 ( -0.102 -5.319 0.357) 5.332 3.626 ( 3.313 6.819 -0.999) 7.646 4.606 ( -16.953 -17.341 0.372) 24.254 5.654 ( 5.239 9.120 -0.237) 10.520 8.727 ( -4.794 5.092 0.886) 7.049 9.388 ( -1.026 -6.147 -2.407) 6.680 9.941 ( 7.856 5.789 2.153) 9.993 10.541 ( -6.338 -18.040 -3.697) 19.475 11.209 ( -5.618 0.543 3.500) 6.641 14.269 ( 8.178 6.448 -1.430) 10.513 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -7.558 -1.181 2.856) 8.165 2.845 ( -7.538 -1.617 1.422) 7.840 3.412 ( 6.561 -1.942 -6.421) 9.384 3.719 ( 0.805 3.493 2.099) 4.154 4.151 ( -16.954 -15.242 0.989) 22.819 5.762 ( -1.863 7.092 0.056) 7.333 8.704 ( -7.906 10.700 -0.460) 13.312 9.256 ( -7.840 -6.095 -2.591) 10.263 10.117 ( 9.494 -3.073 3.371) 10.533 10.305 ( 1.903 -13.737 -5.221) 14.818 11.127 ( -2.909 -3.566 4.527) 6.455 14.466 ( 7.357 6.906 -3.054) 10.543 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -7.282 -3.797 1.183) 8.297 2.710 ( -10.386 3.842 4.367) 11.904 3.483 ( 4.550 -0.734 -11.593) 12.475 3.628 ( -11.149 -9.284 0.229) 14.510 3.876 ( -3.177 -0.641 5.939) 6.765 5.734 ( -9.145 6.705 0.496) 11.351 8.644 ( -11.349 11.409 -4.074) 16.600 8.982 ( -15.480 -5.330 -3.129) 16.669 10.207 ( 9.118 -9.344 3.516) 13.520 10.357 ( 12.219 -2.933 -4.755) 13.436 11.097 ( 6.008 -9.396 5.710) 12.529 14.618 ( 4.289 5.686 -4.003) 8.170 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 0.000 2.354 -0.123) 2.357 2.507 ( -0.000 1.268 5.816) 5.952 3.130 ( 0.000 -2.126 -8.937) 9.187 3.271 ( 0.000 6.853 -0.321) 6.860 4.177 ( -0.000 3.947 2.093) 4.467 5.835 ( -0.000 12.898 0.543) 12.910 8.571 ( 0.000 5.208 -2.140) 5.631 8.674 ( 0.000 2.047 -11.415) 11.597 10.045 ( -0.000 0.351 4.578) 4.591 10.372 ( -0.000 4.108 1.598) 4.408 11.023 ( -0.000 -24.069 1.338) 24.107 15.019 ( 0.000 2.858 -2.456) 3.768 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 6.343 1.751 -0.088) 6.581 2.542 ( 1.329 0.141 5.044) 5.218 3.090 ( -0.335 -0.710 -5.692) 5.746 3.432 ( 11.979 4.817 -0.302) 12.915 4.195 ( -2.036 2.101 1.119) 3.132 5.933 ( -0.940 8.252 0.158) 8.307 8.646 ( 0.019 3.792 -5.064) 6.327 8.743 ( 13.255 2.739 -3.279) 13.927 10.065 ( -2.075 4.049 4.938) 6.715 10.372 ( -3.425 -2.074 -0.249) 4.012 10.854 ( 4.607 -15.406 0.319) 16.083 14.973 ( -7.406 2.097 -2.241) 8.017 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 9.512 0.992 -0.958) 9.611 2.591 ( 4.212 -0.739 4.694) 6.350 3.070 ( -0.910 1.040 -2.111) 2.523 3.751 ( 20.497 3.231 -0.436) 20.755 4.153 ( -4.220 -0.083 0.178) 4.225 5.955 ( -3.567 3.585 -0.139) 5.059 8.676 ( 0.921 3.698 -1.185) 3.991 9.064 ( 19.438 2.435 -1.213) 19.628 10.058 ( -9.177 5.882 3.206) 11.361 10.263 ( 4.773 -9.931 -2.601) 11.321 10.875 ( 6.439 -3.630 1.288) 7.503 14.802 ( -13.554 1.223 -1.899) 13.741 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 4.005 -1.592 0.575) 4.348 2.778 ( 13.302 -0.167 1.182) 13.356 3.061 ( -2.205 2.559 1.270) 3.609 4.041 ( -5.976 0.585 -2.332) 6.442 4.172 ( 24.183 -1.265 0.974) 24.235 5.874 ( -7.844 -0.193 -0.458) 7.860 8.733 ( 2.552 0.774 0.810) 2.787 9.354 ( 11.543 1.476 -0.643) 11.655 9.876 ( -11.765 -1.014 0.564) 11.822 10.443 ( 19.747 0.889 -1.257) 19.807 10.949 ( 3.608 -1.399 1.478) 4.142 14.548 ( -16.404 1.082 -0.859) 16.462 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 5.327 -2.340 -1.076) 5.917 2.975 ( 7.067 -1.927 -0.228) 7.329 3.075 ( 2.535 3.317 5.257) 6.714 3.897 ( -8.642 -0.749 -2.804) 9.116 4.574 ( 24.158 -5.245 0.204) 24.721 5.697 ( -11.374 -0.502 -0.632) 11.403 8.756 ( 2.297 -4.913 -1.284) 5.573 9.492 ( 4.108 -0.311 0.334) 4.134 9.717 ( -7.523 4.419 2.547) 9.089 10.837 ( 20.866 4.043 -2.923) 21.455 10.954 ( 0.060 -5.256 1.953) 5.608 14.299 ( -13.780 2.678 0.792) 14.060 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 6.645 -2.979 -2.758) 7.787 2.965 ( -4.137 0.271 2.570) 4.878 3.235 ( 9.596 -2.549 5.624) 11.411 3.741 ( -8.267 2.210 -4.518) 9.676 4.796 ( 11.499 -17.541 0.150) 20.975 5.554 ( -5.576 7.131 -0.655) 9.076 8.728 ( 2.834 -6.483 -2.616) 7.544 9.464 ( -3.071 -4.170 0.635) 5.218 9.772 ( 1.527 10.863 4.192) 11.743 10.816 ( -7.097 -9.282 -1.097) 11.735 11.155 ( 12.173 0.207 -1.118) 12.226 14.178 ( -5.309 6.097 1.797) 8.282 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 4.043 -5.646 -3.294) 7.686 2.896 ( -3.640 1.046 2.900) 4.770 3.320 ( 2.707 -5.963 6.447) 9.190 3.679 ( -1.849 6.973 -5.141) 8.858 4.609 ( -6.622 -23.029 0.069) 23.962 5.656 ( 4.919 9.253 -0.516) 10.492 8.746 ( 5.341 -1.718 -1.012) 5.701 9.361 ( -3.815 -4.872 0.451) 6.205 9.933 ( 3.606 9.343 3.079) 10.477 10.523 ( -11.935 -15.287 -1.840) 19.482 11.244 ( 0.722 -2.857 -0.243) 2.957 14.246 ( 3.212 8.986 0.995) 9.594 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -4.976 -7.308 0.387) 8.849 2.916 ( 0.414 1.851 0.465) 1.953 3.301 ( 0.986 -3.345 1.560) 3.820 3.742 ( 1.607 4.865 -1.669) 5.388 4.224 ( -11.809 -20.074 0.108) 23.290 5.812 ( 3.515 6.306 -0.252) 7.224 8.865 ( 4.300 7.558 0.698) 8.724 9.238 ( -3.358 -7.920 -0.677) 8.629 10.075 ( 0.432 4.987 4.241) 6.560 10.157 ( -6.802 -16.089 -4.550) 18.051 11.156 ( -4.653 -6.638 0.860) 8.152 14.426 ( 6.112 9.413 -0.516) 11.235 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -5.601 -6.670 0.338) 8.717 2.909 ( -5.506 4.381 3.665) 7.933 3.323 ( 5.563 -2.672 -5.778) 8.454 3.709 ( -7.860 -9.086 0.141) 12.015 3.934 ( -3.615 -3.250 1.728) 5.159 5.883 ( -1.623 4.763 0.153) 5.035 8.948 ( -9.648 11.583 0.009) 15.075 9.097 ( -4.111 -5.434 -4.340) 8.079 9.913 ( 5.771 -14.980 3.791) 16.495 10.214 ( 5.194 2.397 -1.909) 6.030 10.997 ( -3.487 -10.360 1.313) 11.010 14.603 ( 4.546 7.755 -1.347) 9.090 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -0.000 0.836 0.146) 0.848 2.540 ( -0.000 -0.924 4.073) 4.176 3.081 ( 0.000 0.990 -2.269) 2.475 3.360 ( 0.000 2.374 -0.067) 2.375 4.230 ( 0.000 0.801 -0.150) 0.815 6.002 ( 0.000 4.180 -0.209) 4.185 8.631 ( 0.000 1.983 -0.137) 1.988 8.676 ( 0.000 3.301 -2.162) 3.946 10.124 ( -0.000 2.031 2.260) 3.038 10.438 ( 0.000 1.527 -0.040) 1.528 10.645 ( 0.000 -11.637 -0.815) 11.666 15.050 ( 0.000 1.500 -2.002) 2.501 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 6.411 0.061 0.110) 6.412 2.548 ( 1.359 -1.927 3.056) 3.860 3.097 ( -0.260 2.946 1.388) 3.267 3.480 ( 12.288 0.141 0.038) 12.289 4.207 ( -2.409 -0.796 -1.413) 2.904 6.011 ( -1.245 -0.135 -0.486) 1.343 8.707 ( 0.117 2.736 2.444) 3.671 8.779 ( 13.753 2.172 1.953) 14.060 10.120 ( 1.274 -6.025 -4.065) 7.379 10.301 ( -11.165 2.797 0.813) 11.539 10.719 ( 9.188 0.260 0.698) 9.218 14.989 ( -7.526 0.716 -1.798) 7.771 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 6.770 -1.477 -1.599) 7.112 2.582 ( 6.770 -2.508 2.985) 7.812 3.131 ( -1.200 4.266 4.508) 6.321 3.758 ( 20.943 -2.525 0.279) 21.097 4.126 ( -4.671 -1.832 -2.796) 5.744 5.949 ( -3.595 -3.971 -0.853) 5.424 8.729 ( -0.782 -0.082 4.326) 4.396 9.095 ( 18.706 0.251 2.214) 18.838 9.989 ( -4.884 -6.719 -4.146) 9.284 10.291 ( 2.727 8.642 0.522) 9.077 10.867 ( 5.742 2.168 0.406) 6.151 14.811 ( -13.154 0.587 -0.967) 13.203 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 3.983 -3.364 -1.925) 5.558 2.750 ( 12.479 -3.489 1.213) 13.014 3.163 ( -2.387 4.940 6.923) 8.833 3.993 ( -4.320 -3.941 -2.202) 6.248 4.113 ( 21.772 -4.627 -1.499) 22.309 5.813 ( -6.009 -5.631 -1.046) 8.301 8.690 ( -1.401 -5.684 1.252) 5.986 9.348 ( 11.471 -4.488 0.834) 12.346 9.882 ( -5.036 4.501 2.167) 7.094 10.535 ( 16.324 5.607 -0.552) 17.269 10.940 ( 0.149 2.104 -0.904) 2.295 14.577 ( -14.865 1.894 0.734) 15.004 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 5.440 -4.016 -3.274) 7.513 2.893 ( 8.697 -6.701 0.755) 11.005 3.201 ( -0.977 5.041 8.906) 10.280 3.860 ( -6.243 -0.756 -4.387) 7.668 4.383 ( 18.116 -13.636 -0.587) 22.682 5.665 ( -4.538 -2.741 -0.908) 5.379 8.605 ( 0.750 -8.502 -1.688) 8.701 9.401 ( 3.869 -9.040 -0.585) 9.851 9.924 ( -2.732 12.884 6.946) 14.890 10.788 ( 5.496 -10.403 2.632) 12.056 10.976 ( 5.449 10.712 -6.004) 13.434 14.386 ( -11.026 4.878 2.627) 12.340 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 6.242 -4.811 -4.224) 8.941 2.901 ( 1.451 -8.188 1.123) 8.391 3.283 ( 1.523 3.081 9.979) 10.554 3.763 ( -3.908 2.570 -5.398) 7.142 4.399 ( 4.454 -21.801 -0.694) 22.262 5.647 ( 3.196 2.008 -0.723) 3.844 8.579 ( 6.460 -6.811 -1.247) 9.470 9.340 ( 0.521 -9.747 0.242) 9.764 10.039 ( -2.001 13.081 6.372) 14.688 10.603 ( -10.732 -10.937 0.201) 15.324 11.164 ( 5.464 3.013 -4.695) 7.809 14.338 ( -3.074 8.123 3.248) 9.272 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 1.326 -7.862 -2.487) 8.352 2.857 ( 3.630 -5.435 -1.265) 6.657 3.338 ( -2.309 2.647 9.504) 10.132 3.750 ( 0.500 2.411 -4.178) 4.850 4.160 ( -4.908 -21.435 -1.030) 22.014 5.764 ( 6.891 2.058 -0.544) 7.212 8.699 ( 13.364 -2.937 0.819) 13.707 9.235 ( -2.005 -10.062 1.930) 10.440 10.130 ( -2.574 8.890 1.048) 9.314 10.275 ( -15.289 -7.189 0.810) 16.914 11.162 ( -3.304 -3.662 -3.068) 5.808 14.441 ( 3.154 9.266 2.328) 10.061 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -0.000 -0.746 0.458) 0.875 2.522 ( -0.000 -2.841 1.975) 3.460 3.148 ( -0.000 4.823 5.003) 6.949 3.362 ( -0.000 -2.196 0.140) 2.201 4.206 ( 0.000 -2.275 -2.711) 3.539 5.997 ( 0.000 -4.460 -0.767) 4.526 8.652 ( -0.000 -0.574 2.084) 2.162 8.785 ( -0.000 4.659 9.561) 10.636 10.033 ( 0.000 -6.398 -7.337) 9.735 10.421 ( 0.000 -2.575 -1.844) 3.167 10.676 ( -0.000 11.707 2.180) 11.908 15.051 ( 0.000 -0.134 -1.887) 1.892 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 6.013 -1.726 0.150) 6.258 2.503 ( 1.291 -3.901 0.811) 4.188 3.215 ( -0.710 5.656 7.858) 9.708 3.438 ( 12.192 -4.476 0.361) 12.993 4.148 ( -2.177 -3.410 -3.997) 5.687 5.920 ( -1.021 -8.700 -1.186) 8.839 8.723 ( 5.487 -2.894 3.130) 6.949 8.871 ( 4.968 0.954 10.076) 11.274 9.965 ( -0.496 -0.995 -5.598) 5.707 10.360 ( -1.841 -0.069 -1.420) 2.326 10.853 ( 3.317 12.990 0.132) 13.407 14.981 ( -6.945 -0.437 -1.468) 7.112 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 3.920 -3.793 -2.694) 6.083 2.527 ( 8.641 -4.542 1.624) 9.896 3.275 ( -1.792 5.364 9.589) 11.133 3.657 ( 19.273 -8.079 0.872) 20.916 4.051 ( -3.344 -3.056 -5.427) 7.069 5.789 ( -1.924 -11.594 -1.505) 11.849 8.695 ( -3.892 -5.923 3.422) 7.870 9.047 ( 14.618 -8.199 2.714) 16.978 9.991 ( -0.195 8.709 2.461) 9.052 10.394 ( 5.883 1.368 -0.312) 6.048 11.007 ( -0.186 13.152 -2.413) 13.372 14.817 ( -11.428 0.454 -0.060) 11.437 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 4.016 -5.100 -3.626) 7.435 2.654 ( 10.678 -6.857 0.630) 12.706 3.316 ( -2.462 4.460 10.416) 11.595 3.852 ( 9.266 -10.714 1.051) 14.204 3.993 ( 6.412 -4.023 -6.342) 9.875 5.640 ( -1.013 -11.358 -1.395) 11.488 8.550 ( -4.189 -8.269 0.155) 9.271 9.155 ( 10.575 -14.243 -1.077) 17.772 10.121 ( -0.967 14.601 8.989) 17.174 10.550 ( 10.587 -3.571 2.052) 11.359 11.098 ( -3.235 15.547 -6.253) 17.066 14.631 ( -11.805 2.732 2.158) 12.308 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 5.668 -5.490 -4.437) 9.053 2.725 ( 7.088 -10.490 0.149) 12.661 3.356 ( -0.814 3.693 10.815) 11.457 3.812 ( -1.891 -2.520 -2.555) 4.057 4.065 ( 10.251 -16.000 -3.186) 19.267 5.560 ( 3.910 -7.870 -1.086) 8.855 8.438 ( 1.055 -7.297 -0.072) 7.373 9.142 ( 6.834 -16.401 -1.423) 17.825 10.267 ( -3.592 15.793 10.544) 19.326 10.592 ( 0.361 -10.044 2.528) 10.364 11.191 ( -1.539 15.403 -9.328) 18.073 14.512 ( -7.546 5.589 4.118) 10.254 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 5.390 -6.178 -4.142) 9.185 2.702 ( 4.296 -11.293 -0.781) 12.108 3.427 ( 0.569 3.284 11.730) 12.194 3.750 ( -1.667 -3.452 -2.548) 4.603 3.982 ( 1.601 -16.368 -3.938) 16.911 5.611 ( 9.285 -5.248 -0.884) 10.702 8.464 ( 8.905 -4.987 2.117) 10.424 9.075 ( 4.909 -17.024 0.536) 17.725 10.354 ( -7.188 14.364 7.453) 17.707 10.424 ( -8.681 -7.146 0.852) 11.277 11.228 ( -5.611 7.729 -8.656) 12.890 14.516 ( -1.176 7.267 4.616) 8.689 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -0.000 -2.506 0.482) 2.552 2.451 ( 0.000 -4.914 -0.389) 4.929 3.277 ( -0.000 -6.638 0.303) 6.645 3.310 ( -0.000 6.081 10.537) 12.166 4.112 ( 0.000 -4.659 -5.011) 6.842 5.814 ( 0.000 -13.524 -1.612) 13.620 8.619 ( -0.000 -4.907 2.933) 5.717 8.889 ( -0.000 -2.946 10.682) 11.080 9.986 ( 0.000 7.651 -0.869) 7.700 10.333 ( 0.000 -4.249 -2.505) 4.933 10.995 ( 0.000 19.218 -1.848) 19.307 15.027 ( 0.000 -1.006 -1.661) 1.941 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 5.212 -3.686 -0.264) 6.389 2.403 ( 1.318 -6.245 -1.320) 6.518 3.298 ( 10.213 -8.268 1.090) 13.185 3.393 ( 0.054 3.411 10.989) 11.507 4.037 ( -1.374 -4.209 -5.570) 7.116 5.654 ( 0.028 -17.500 -2.009) 17.615 8.629 ( 5.647 -8.558 1.819) 10.413 8.842 ( -0.402 -8.479 4.701) 9.704 10.110 ( -0.076 14.003 6.520) 15.447 10.320 ( 3.420 -0.810 0.294) 3.527 11.174 ( -0.941 19.930 -4.950) 20.557 14.962 ( -5.816 -0.544 -0.898) 5.910 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 2.621 -6.425 -3.863) 7.942 2.422 ( 8.555 -6.785 0.312) 10.924 3.406 ( 2.046 -1.005 8.434) 8.737 3.462 ( 12.895 -11.309 2.939) 17.401 3.966 ( -1.668 -1.138 -5.000) 5.392 5.477 ( 1.600 -19.224 -2.032) 19.398 8.556 ( -4.110 -8.749 -0.055) 9.666 8.816 ( 9.464 -14.985 -0.122) 17.724 10.252 ( 2.792 7.642 3.990) 9.062 10.456 ( 3.659 9.067 11.328) 14.964 11.313 ( -3.491 20.273 -8.727) 22.346 14.834 ( -8.974 1.114 1.033) 9.102 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 4.623 -7.231 -4.497) 9.690 2.491 ( 8.258 -9.712 -0.480) 12.757 3.409 ( -0.546 -2.572 8.526) 8.922 3.583 ( 14.374 -16.751 1.196) 22.105 3.931 ( -1.609 1.838 -3.777) 4.498 5.347 ( 5.870 -17.718 -1.724) 18.744 8.400 ( -3.805 -6.521 -0.023) 7.550 8.812 ( 9.698 -19.000 -1.711) 21.401 10.385 ( 5.658 1.181 1.804) 6.055 10.607 ( -3.669 11.341 16.563) 20.406 11.408 ( -5.224 21.015 -12.626) 25.066 14.709 ( -8.591 3.379 3.616) 9.914 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 6.669 -6.984 -4.625) 10.707 2.497 ( 5.618 -12.257 -0.706) 13.502 3.417 ( 3.252 -5.403 7.232) 9.595 3.601 ( 7.319 -17.302 1.720) 18.865 3.911 ( -2.755 3.323 -3.330) 5.451 5.335 ( 11.733 -14.356 -1.423) 18.596 8.333 ( 2.112 -4.172 2.348) 5.232 8.771 ( 8.659 -19.828 -0.469) 21.642 10.420 ( -0.135 -5.280 -0.563) 5.311 10.675 ( -8.159 14.435 16.302) 23.253 11.450 ( -8.622 18.140 -14.796) 24.947 14.647 ( -4.979 5.016 5.642) 9.044 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -0.000 -4.614 -0.001) 4.614 2.320 ( 0.000 -7.669 -2.712) 8.134 3.109 ( -0.000 -10.621 0.436) 10.630 3.456 ( -0.000 -0.225 10.980) 10.982 3.996 ( 0.000 -2.540 -4.215) 4.921 5.447 ( 0.000 -22.627 -2.503) 22.765 8.473 ( -0.000 -11.843 1.643) 11.957 8.786 ( -0.000 -8.997 0.553) 9.014 10.260 ( 0.000 -1.291 -1.347) 1.865 10.333 ( -0.000 20.523 16.523) 26.347 11.373 ( 0.000 22.048 -8.227) 23.533 15.000 ( 0.000 -0.653 -1.020) 1.211 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 1.903 -7.574 -3.647) 8.619 2.242 ( 3.963 -7.918 -0.833) 8.894 3.089 ( 10.211 -12.789 0.491) 16.372 3.441 ( -0.733 -6.870 7.164) 9.952 3.978 ( -0.708 1.598 -0.474) 1.811 5.213 ( 1.990 -25.919 -2.739) 26.139 8.398 ( 5.747 -15.496 -0.267) 16.529 8.668 ( -2.947 -8.048 -1.892) 8.777 10.255 ( 0.463 1.655 0.123) 1.723 10.623 ( 1.828 19.908 21.865) 29.627 11.544 ( -2.247 22.806 -11.959) 25.849 14.956 ( -4.389 0.289 0.095) 4.399 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 3.373 -10.289 -4.697) 11.802 2.267 ( 6.912 -8.793 -1.283) 11.258 3.168 ( 14.174 -16.192 0.500) 21.525 3.366 ( 0.857 -9.973 3.714) 10.677 3.993 ( -1.568 4.227 2.581) 5.195 5.015 ( 6.495 -26.326 -2.663) 27.245 8.334 ( 4.711 -15.276 -2.072) 16.120 8.546 ( -0.906 -8.438 -1.178) 8.568 10.309 ( 3.223 1.516 0.947) 3.686 10.869 ( -2.457 15.966 23.246) 28.308 11.673 ( -4.632 24.151 -15.488) 29.062 14.875 ( -6.473 1.941 2.429) 7.181 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 6.661 -10.560 -4.576) 13.297 2.278 ( 6.188 -11.103 -1.464) 12.795 3.202 ( 9.459 -19.455 1.617) 21.693 3.338 ( 6.753 -9.531 1.241) 11.746 4.014 ( -2.833 5.470 3.380) 7.026 4.926 ( 13.359 -23.704 -2.400) 27.315 8.266 ( 3.697 -10.908 -0.790) 11.545 8.468 ( 2.808 -10.820 0.664) 11.199 10.366 ( 1.852 -0.689 0.365) 2.009 10.993 ( -6.484 12.495 21.338) 25.563 11.753 ( -8.433 23.795 -18.247) 31.149 14.803 ( -6.125 3.336 5.211) 8.706 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.000 -11.480 -5.025) 12.531 2.129 ( 0.000 -7.595 -1.109) 7.676 2.874 ( -0.000 -13.388 0.604) 13.402 3.357 ( -0.000 -13.448 2.516) 13.682 4.017 ( -0.000 3.367 4.479) 5.603 4.906 ( 0.000 -30.343 -3.407) 30.534 8.180 ( -0.000 -17.877 -0.437) 17.882 8.626 ( 0.000 -4.560 -4.447) 6.370 10.281 ( -0.000 3.631 0.451) 3.659 10.881 ( -0.000 19.290 27.233) 33.373 11.755 ( 0.000 24.618 -15.048) 28.852 14.994 ( -0.000 0.250 0.095) 0.267 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 1.779 -13.530 -5.787) 14.823 2.078 ( 4.219 -9.665 -2.032) 10.739 2.819 ( 8.582 -14.641 0.588) 16.981 3.220 ( 1.426 -16.213 0.208) 16.277 4.059 ( -0.199 1.818 7.189) 7.418 4.624 ( 4.149 -30.859 -4.142) 31.411 8.041 ( 5.233 -19.524 -1.546) 20.272 8.561 ( -3.039 -0.292 -3.950) 4.992 10.322 ( -0.339 4.783 1.285) 4.964 11.123 ( -1.212 13.269 26.933) 30.049 11.938 ( -2.611 27.273 -16.460) 31.962 14.974 ( -2.886 0.948 1.449) 3.366 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 5.373 -14.703 -5.410) 16.562 2.058 ( 6.196 -11.577 -2.378) 13.344 2.842 ( 10.803 -16.782 0.667) 19.969 3.119 ( 5.609 -15.275 -0.545) 16.282 4.094 ( 1.084 -0.549 8.314) 8.402 4.441 ( 9.962 -27.271 -5.074) 29.474 7.960 ( 8.473 -19.567 -1.866) 21.404 8.499 ( -5.052 3.215 -1.107) 6.089 10.367 ( -0.092 3.786 1.284) 3.999 11.249 ( -3.987 7.319 22.388) 23.889 12.087 ( -6.995 28.282 -16.558) 33.511 14.934 ( -4.269 1.907 3.889) 6.082 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.000 -16.014 -7.380) 17.633 1.923 ( 0.000 -12.723 -2.760) 13.018 2.611 ( -0.000 -13.322 0.853) 13.349 3.023 ( 0.000 -20.072 -1.280) 20.113 4.019 ( -0.000 -19.631 8.514) 21.398 4.325 ( 0.000 -14.702 -4.523) 15.382 7.801 ( 0.000 -19.364 -1.478) 19.420 8.594 ( 0.000 4.642 -4.707) 6.611 10.393 ( -0.000 6.821 1.329) 6.950 11.314 ( -0.000 6.770 24.943) 25.845 12.198 ( 0.000 30.665 -13.834) 33.642 15.006 ( -0.000 0.284 1.475) 1.502 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 2.822 -18.004 -7.484) 19.700 1.821 ( 5.223 -15.234 -3.262) 16.431 2.547 ( 6.424 -12.929 0.816) 14.460 2.848 ( 4.566 -21.048 -1.478) 21.588 3.798 ( 8.410 -36.231 3.824) 37.391 4.270 ( -0.829 0.769 -0.147) 1.141 7.651 ( 4.776 -18.506 -1.575) 19.178 8.626 ( -3.010 9.156 -2.926) 10.072 10.446 ( -2.118 6.606 1.513) 7.101 11.399 ( -1.687 0.600 18.622) 18.708 12.439 ( -4.368 31.670 -10.391) 33.616 15.001 ( -1.332 0.180 2.746) 3.057 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.000 -20.069 -9.050) 22.015 1.584 ( 0.000 -19.837 -4.135) 20.263 2.384 ( -0.000 -10.037 0.782) 10.068 2.565 ( 0.000 -26.498 -1.245) 26.527 3.346 ( -0.000 -39.948 2.028) 39.999 4.300 ( -0.000 2.273 1.224) 2.582 7.434 ( 0.000 -16.598 -1.296) 16.649 8.758 ( 0.000 14.090 -1.863) 14.212 10.546 ( -0.000 7.546 1.228) 7.645 11.434 ( -0.000 -5.310 12.395) 13.485 12.774 ( 0.000 32.548 -4.546) 32.864 15.009 ( -0.000 -1.636 2.616) 3.085 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -0.000 0.000 21.889) 21.889 0.408 ( -0.000 0.000 21.889) 21.889 0.862 ( -0.000 0.000 46.814) 46.814 2.081 ( 0.000 -0.000 -2.693) 2.693 2.081 ( 0.000 -0.000 -2.693) 2.693 5.097 ( 0.000 -0.000 -9.061) 9.061 6.942 ( -0.000 0.000 1.976) 1.976 6.942 ( -0.000 0.000 1.976) 1.976 10.813 ( 0.000 -0.000 -1.086) 1.086 10.813 ( 0.000 -0.000 -1.086) 1.086 14.147 ( -0.000 0.000 0.850) 0.850 14.335 ( 0.000 -0.000 -0.432) 0.432 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 17.894 10.331 12.572) 24.186 0.845 ( 13.543 7.819 24.008) 28.652 1.335 ( 31.053 17.928 26.818) 44.776 2.100 ( 2.617 1.511 -3.148) 4.364 2.223 ( 12.507 7.221 -3.249) 14.803 4.489 ( -14.186 -8.190 5.371) 17.239 7.004 ( 4.873 2.813 2.142) 6.021 8.729 ( 60.008 34.646 -51.192) 86.151 10.604 ( -8.714 -5.031 -10.598) 14.614 10.779 ( -2.827 -1.632 -1.073) 3.437 13.991 ( -14.140 -8.164 5.744) 17.309 14.566 ( 14.189 8.192 -11.954) 20.281 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 19.901 11.490 7.124) 24.059 1.180 ( 11.401 6.582 21.508) 25.217 2.143 ( 30.064 17.358 14.252) 37.527 2.181 ( 5.505 3.178 -3.450) 7.233 2.636 ( 25.971 14.994 -2.925) 30.131 4.312 ( -4.516 -2.607 -3.387) 6.218 7.172 ( 9.377 5.414 1.930) 10.999 9.107 ( -8.436 -4.871 -2.758) 10.124 10.629 ( 15.303 8.835 -35.094) 39.292 10.685 ( -5.000 -2.887 -0.984) 5.857 13.631 ( -19.164 -11.064 12.423) 25.377 14.751 ( 5.520 3.187 -13.254) 14.707 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 12.915 7.457 14.379) 20.716 1.589 ( 16.554 9.557 4.662) 19.675 2.333 ( 8.966 5.176 -3.318) 10.871 2.708 ( 18.709 10.802 7.521) 22.876 3.355 ( 34.640 19.999 -1.849) 40.041 4.226 ( -1.749 -1.010 -5.070) 5.458 7.434 ( 13.114 7.572 1.278) 15.197 8.751 ( -18.143 -10.475 1.920) 21.037 10.557 ( -5.807 -3.353 -0.722) 6.744 10.866 ( 11.673 6.739 -30.114) 32.993 13.218 ( -21.378 -12.342 17.775) 30.419 14.758 ( -0.540 -0.312 -13.436) 13.451 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 14.000 8.083 9.159) 18.580 1.912 ( 11.081 6.398 2.596) 13.056 2.566 ( 12.149 7.014 -2.357) 14.225 3.086 ( 13.371 7.720 3.565) 15.846 3.949 ( 11.118 6.419 -11.190) 17.030 4.339 ( 19.322 11.156 4.739) 22.809 7.761 ( 15.241 8.799 0.237) 17.600 8.403 ( -11.541 -6.663 -2.024) 13.479 10.430 ( -5.038 -2.909 -0.178) 5.820 10.933 ( 1.431 0.826 -23.375) 23.434 12.766 ( -23.968 -13.838 19.477) 33.842 14.684 ( -1.813 -1.047 -11.892) 12.075 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 7.077 4.086 0.931) 8.224 2.190 ( 13.877 8.012 6.323) 17.226 2.844 ( 12.260 7.079 -1.255) 14.213 3.324 ( 7.258 4.190 -2.957) 8.887 3.980 ( -0.295 -0.170 -5.426) 5.437 4.919 ( 24.955 14.408 3.624) 29.043 8.105 ( 14.910 8.608 -1.052) 17.249 8.247 ( -0.986 -0.569 -5.075) 5.201 10.338 ( -2.990 -1.726 0.698) 3.522 10.811 ( -5.865 -3.386 -18.057) 19.286 12.236 ( -27.766 -16.030 15.961) 35.814 14.635 ( 0.471 0.272 -7.515) 7.534 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 4.700 2.714 0.019) 5.427 2.509 ( 12.726 7.347 4.956) 15.508 3.093 ( 9.734 5.620 -0.634) 11.258 3.386 ( 0.257 0.148 -11.453) 11.457 3.974 ( 0.393 0.227 3.214) 3.246 5.422 ( 18.488 10.674 2.267) 21.468 8.328 ( 9.456 5.459 -6.751) 12.837 8.409 ( 12.087 6.979 -2.280) 14.142 10.302 ( -0.650 -0.375 1.736) 1.891 10.592 ( -9.008 -5.201 -12.104) 15.959 11.619 ( -29.508 -17.037 9.877) 35.476 14.659 ( 2.718 1.569 -2.506) 4.016 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 2.826 1.631 -0.405) 3.288 2.793 ( 11.071 6.392 4.104) 13.427 3.272 ( 6.125 3.536 -0.331) 7.080 3.289 ( -4.485 -2.589 -14.528) 15.423 4.007 ( 0.705 0.407 6.173) 6.227 5.766 ( 11.345 6.550 1.529) 13.189 8.614 ( 17.399 10.045 -8.073) 21.652 8.628 ( 7.916 4.570 -2.949) 9.604 10.310 ( 0.477 0.276 2.469) 2.530 10.328 ( -13.106 -7.567 -3.678) 15.573 11.025 ( -22.608 -13.053 3.375) 26.323 14.726 ( 3.039 1.755 1.159) 3.696 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 1.013 0.585 -0.561) 1.297 2.977 ( 0.107 0.062 -1.741) 1.745 3.184 ( 3.605 2.081 -8.628) 9.580 3.365 ( 2.157 1.245 -0.162) 2.496 4.023 ( -1.118 -0.646 5.403) 5.556 5.941 ( 3.717 2.146 1.142) 4.442 8.750 ( 3.602 2.080 -2.713) 4.966 9.036 ( 21.346 12.324 -10.358) 26.736 9.937 ( -20.554 -11.867 5.637) 24.394 10.323 ( -0.316 -0.183 2.480) 2.506 10.713 ( -5.086 -2.936 -1.171) 5.988 14.791 ( 1.851 1.069 3.483) 4.087 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -0.834 -0.482 -0.543) 1.106 2.818 ( -8.645 -4.991 -8.002) 12.794 3.368 ( -1.870 -1.080 -0.031) 2.160 3.386 ( 11.504 6.642 -1.571) 13.376 3.979 ( -4.259 -2.459 4.474) 6.648 5.938 ( -4.324 -2.497 1.023) 5.097 8.775 ( -0.903 -0.522 -1.660) 1.960 9.276 ( -9.591 -5.537 -1.960) 11.247 9.734 ( 14.079 8.129 -1.348) 16.313 10.304 ( -1.785 -1.031 1.728) 2.689 10.730 ( 5.550 3.204 -0.097) 6.409 14.829 ( 0.449 0.259 5.125) 5.151 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -2.744 -1.584 -0.380) 3.191 2.587 ( -9.682 -5.590 -6.350) 12.857 3.281 ( -5.748 -3.319 0.100) 6.638 3.643 ( 11.397 6.580 -3.393) 13.591 3.858 ( -7.534 -4.350 5.357) 10.217 5.753 ( -12.252 -7.074 1.045) 14.186 8.692 ( -6.328 -3.653 -0.212) 7.310 8.933 ( -16.102 -9.297 7.239) 19.953 10.239 ( 26.889 15.525 -10.215) 32.686 10.264 ( -1.712 -0.988 0.507) 2.041 10.924 ( 10.717 6.187 0.626) 12.391 14.850 ( 0.070 0.040 6.429) 6.429 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -4.838 -2.793 -0.040) 5.586 2.341 ( -10.920 -6.305 -3.527) 13.094 3.112 ( -9.158 -5.287 0.234) 10.577 3.647 ( -10.207 -5.893 -0.584) 11.800 3.894 ( 9.318 5.380 1.166) 10.823 5.391 ( -19.982 -11.537 1.057) 23.098 8.483 ( -12.156 -7.018 0.977) 14.070 8.650 ( -10.720 -6.189 8.716) 15.139 10.248 ( 0.672 0.388 -0.609) 0.986 10.835 ( 28.536 16.475 -12.017) 35.073 11.182 ( 11.189 6.460 0.518) 12.931 14.881 ( 1.047 0.604 7.008) 7.112 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -12.946 -7.474 0.011) 14.949 2.113 ( -7.551 -4.359 0.624) 8.741 2.877 ( -11.419 -6.593 0.275) 13.188 3.371 ( -14.046 -8.110 0.453) 16.225 4.083 ( 7.086 4.091 -1.949) 8.411 4.858 ( -27.362 -15.798 1.450) 31.628 8.162 ( -16.146 -9.322 1.466) 18.701 8.513 ( -3.331 -1.923 7.541) 8.466 10.297 ( 3.785 2.185 -1.181) 4.527 11.377 ( 12.994 7.502 -21.162) 25.942 11.479 ( 24.044 13.882 10.013) 29.515 14.939 ( 2.216 1.280 5.910) 6.441 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -15.417 -8.901 4.083) 18.265 1.902 ( -11.752 -6.785 1.944) 13.709 2.615 ( -11.328 -6.540 -0.038) 13.080 3.014 ( -17.662 -10.197 0.448) 20.399 4.093 ( -21.309 -12.303 -7.697) 25.781 4.279 ( -7.963 -4.597 5.584) 10.757 7.787 ( -16.792 -9.695 1.432) 19.443 8.550 ( 4.952 2.859 4.849) 7.497 10.405 ( 5.950 3.435 -1.298) 6.992 11.487 ( 2.684 1.550 -10.682) 11.122 12.117 ( 28.808 16.632 1.753) 33.311 15.001 ( 1.678 0.969 2.571) 3.220 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -0.000 21.228 15.035) 26.013 0.910 ( -0.000 24.111 17.267) 29.656 1.369 ( -0.000 25.992 32.753) 41.813 2.095 ( 0.000 3.244 -3.563) 4.818 2.204 ( 0.000 13.972 -3.782) 14.475 4.501 ( -0.000 -17.868 3.406) 18.190 7.011 ( -0.000 5.757 2.358) 6.221 8.538 ( 0.000 68.574 -44.425) 81.706 10.668 ( 0.000 -3.487 -10.447) 11.013 10.766 ( 0.000 -3.734 -1.455) 4.008 13.988 ( -0.000 -18.104 5.575) 18.943 14.518 ( 0.000 14.747 -10.183) 17.921 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 6.455 22.137 10.962) 25.532 1.218 ( 4.697 14.086 22.055) 26.588 1.955 ( 21.327 28.091 18.279) 39.725 2.148 ( 2.786 5.486 -3.809) 7.237 2.468 ( 12.840 20.735 -3.949) 24.706 4.336 ( -3.730 -6.384 -3.028) 7.989 7.129 ( 4.688 8.626 2.393) 10.105 9.033 ( 10.055 7.463 -12.835) 17.931 10.533 ( -5.138 7.567 -22.920) 24.677 10.737 ( -0.741 0.900 -6.516) 6.620 13.737 ( -8.142 -21.252 10.217) 24.947 14.672 ( 5.050 8.877 -12.746) 16.333 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 7.687 12.520 16.713) 22.252 1.526 ( 9.163 17.576 8.832) 21.700 2.274 ( 5.568 8.820 -3.820) 11.108 2.551 ( 17.248 15.781 9.385) 25.191 3.051 ( 26.805 27.953 -1.943) 38.777 4.230 ( -2.251 -2.129 -6.076) 6.821 7.349 ( 8.650 11.441 2.134) 14.501 8.913 ( -12.434 -13.635 3.198) 18.728 10.518 ( 2.122 -3.035 -10.692) 11.315 10.762 ( 2.281 12.262 -23.281) 26.412 13.389 ( -12.343 -21.367 15.207) 28.985 14.737 ( 0.095 3.588 -13.537) 14.005 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 9.342 10.866 12.520) 19.029 1.855 ( 8.274 13.181 4.631) 16.237 2.489 ( 8.286 12.913 -2.916) 15.618 2.955 ( 13.516 10.211 4.844) 17.619 3.738 ( 21.818 18.217 -7.329) 29.353 4.229 ( 6.130 6.131 -0.533) 8.686 7.651 ( 11.309 13.796 1.519) 17.904 8.547 ( -14.561 -10.226 0.667) 17.806 10.452 ( -1.754 -5.041 -1.898) 5.665 10.837 ( 2.915 4.741 -24.680) 25.300 12.993 ( -15.986 -21.145 17.935) 32.006 14.686 ( -3.040 1.104 -12.786) 13.188 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 8.648 9.679 5.086) 13.941 2.093 ( 7.736 9.612 5.585) 13.543 2.772 ( 8.988 15.014 -1.596) 17.572 3.231 ( 8.603 5.584 -0.475) 10.267 3.944 ( 2.478 1.297 -8.829) 9.262 4.678 ( 23.153 18.446 4.300) 29.914 7.994 ( 11.678 14.677 0.576) 18.765 8.287 ( -6.898 -3.024 -2.718) 8.007 10.373 ( -2.668 -2.167 -0.121) 3.439 10.781 ( -1.886 -3.481 -20.080) 20.466 12.527 ( -21.210 -20.941 16.053) 33.854 14.615 ( -1.366 0.203 -9.220) 9.323 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 2.948 7.706 0.687) 8.279 2.392 ( 11.669 8.421 6.081) 15.622 3.053 ( 6.970 14.407 -0.961) 16.033 3.341 ( 2.136 1.340 -8.655) 9.015 3.965 ( 1.586 0.516 0.057) 1.669 5.223 ( 19.766 14.089 2.783) 24.432 8.226 ( 4.675 2.777 -3.782) 6.624 8.345 ( 8.401 15.236 -1.509) 17.464 10.325 ( -1.927 -0.056 0.917) 2.135 10.611 ( -5.065 -6.801 -14.854) 17.104 11.961 ( -26.564 -19.329 10.691) 34.548 14.603 ( 2.571 -0.621 -4.020) 4.812 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 1.004 6.788 -0.060) 6.862 2.677 ( 11.232 6.731 4.501) 13.846 3.247 ( 1.400 3.820 -7.401) 8.445 3.320 ( -1.006 7.764 -6.849) 10.402 4.006 ( 1.497 0.076 5.250) 5.460 5.628 ( 13.964 8.635 1.937) 16.532 8.409 ( 13.152 6.884 -5.444) 15.812 8.609 ( 5.229 14.481 -2.312) 15.569 10.303 ( -0.685 -1.368 1.401) 2.075 10.408 ( -7.017 -6.814 -7.765) 12.489 11.353 ( -27.096 -13.369 5.012) 30.627 14.655 ( 5.139 -1.881 0.286) 5.480 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -0.872 5.874 -0.447) 5.956 2.919 ( 8.140 3.628 2.711) 9.315 3.147 ( -2.629 -1.859 -13.580) 13.956 3.433 ( -1.540 12.546 -0.382) 12.646 4.035 ( 0.327 -1.343 5.829) 5.991 5.875 ( 7.551 3.435 1.457) 8.423 8.748 ( 16.728 9.316 -5.516) 19.926 8.786 ( 3.445 11.642 -4.821) 13.063 10.146 ( -15.082 -9.529 2.921) 18.077 10.280 ( 1.652 -4.860 -0.014) 5.133 10.905 ( -16.576 0.348 0.036) 16.580 14.727 ( 5.400 -3.224 3.021) 6.977 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -2.706 4.672 -0.598) 5.432 2.879 ( -6.935 -4.584 -7.752) 11.367 3.246 ( 10.944 5.698 -3.253) 12.760 3.484 ( -5.782 10.518 -0.086) 12.003 4.017 ( -1.956 -3.276 5.245) 6.486 5.957 ( 0.304 -1.365 1.236) 1.866 8.849 ( -3.651 8.590 -2.340) 9.622 9.135 ( 17.023 2.847 -9.603) 19.751 9.793 ( -13.604 -4.172 7.127) 15.914 10.281 ( 3.027 -3.522 1.060) 4.763 10.782 ( -4.820 8.143 -1.209) 9.539 14.785 ( 4.283 -4.119 4.702) 7.577 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -4.409 3.064 -0.562) 5.399 2.673 ( -8.827 -4.539 -6.895) 12.085 3.439 ( -9.028 7.614 -0.372) 11.816 3.492 ( 11.061 6.006 -3.761) 13.137 3.935 ( -4.831 -4.976 5.652) 8.947 5.866 ( -7.550 -5.440 1.229) 9.386 8.805 ( -7.419 2.385 -1.057) 7.864 9.096 ( -11.101 -9.478 2.082) 14.744 9.920 ( 18.550 11.067 -4.691) 22.104 10.308 ( 0.906 2.002 0.687) 2.302 10.857 ( 4.354 7.931 -0.470) 9.059 14.823 ( 3.196 -4.069 5.775) 7.754 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -5.973 0.949 -0.357) 6.058 2.455 ( -10.086 -3.970 -4.146) 11.605 3.306 ( -13.469 5.175 0.155) 14.430 3.683 ( 3.312 0.506 -9.436) 10.013 3.831 ( -0.174 -1.832 9.461) 9.639 5.603 ( -15.704 -8.662 1.310) 17.982 8.640 ( -10.777 -3.759 1.385) 11.498 8.811 ( -13.472 -5.684 5.477) 15.614 10.223 ( 4.384 0.800 -1.187) 4.612 10.518 ( 20.738 15.896 -10.510) 28.164 11.060 ( 10.371 6.026 1.481) 12.086 14.857 ( 3.057 -2.945 6.114) 7.443 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -9.518 -4.369 -0.294) 10.477 2.239 ( -10.253 -0.606 -0.228) 10.274 3.091 ( -16.074 2.365 0.242) 16.249 3.517 ( -11.111 -6.506 -1.261) 12.937 3.980 ( 8.580 3.177 -0.490) 9.162 5.172 ( -24.095 -11.206 1.532) 26.618 8.381 ( -16.104 -4.499 1.633) 16.800 8.588 ( -7.515 -4.949 6.385) 11.034 10.265 ( 1.678 2.088 -0.954) 2.843 11.044 ( 25.232 13.916 -21.952) 36.224 11.323 ( 13.554 5.085 10.926) 18.137 14.910 ( 3.545 -1.398 5.045) 6.322 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -14.151 -5.750 3.069) 15.580 2.062 ( -11.124 -1.550 1.416) 11.320 2.821 ( -16.733 0.131 -0.011) 16.734 3.220 ( -15.731 -7.087 0.251) 17.255 4.117 ( 4.472 1.676 -5.253) 7.099 4.589 ( -30.479 -12.370 3.310) 33.060 8.027 ( -19.499 -5.521 1.597) 20.328 8.520 ( 1.219 -1.551 4.984) 5.360 10.334 ( 4.444 2.298 -1.374) 5.188 11.353 ( 10.325 3.336 -22.099) 24.619 11.800 ( 26.695 11.878 12.499) 31.779 14.972 ( 3.213 -0.599 2.005) 3.835 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -0.000 21.024 10.569) 23.531 1.399 ( -0.000 15.509 20.621) 25.802 2.131 ( -0.000 31.106 16.458) 35.192 2.166 ( 0.000 6.647 -4.444) 7.996 2.593 ( 0.000 29.358 -3.823) 29.606 4.290 ( 0.000 -5.761 -4.999) 7.628 7.195 ( -0.000 11.486 2.403) 11.735 8.983 ( 0.000 2.191 -4.674) 5.162 10.655 ( 0.000 -6.439 -1.598) 6.635 10.668 ( 0.000 14.040 -31.001) 34.033 13.593 ( -0.000 -26.320 11.688) 28.799 14.691 ( 0.000 10.114 -12.529) 16.102 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 2.902 16.388 13.058) 21.155 1.629 ( 3.395 16.069 13.991) 21.575 2.269 ( 4.514 9.817 -4.338) 11.643 2.528 ( 9.117 20.847 9.311) 24.585 3.019 ( 12.671 35.634 -2.112) 37.879 4.218 ( -1.155 -2.193 -6.625) 7.074 7.369 ( 4.762 14.214 2.378) 15.177 8.923 ( -3.570 -11.897 4.078) 13.074 10.497 ( -5.470 -1.769 -9.898) 11.447 10.760 ( 3.101 8.767 -24.569) 26.270 13.329 ( -4.351 -27.230 14.666) 31.233 14.746 ( 0.046 6.664 -12.881) 14.503 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 4.215 12.379 13.569) 18.845 1.898 ( 5.545 14.521 6.845) 16.984 2.487 ( 7.954 15.052 -3.155) 17.314 2.879 ( 9.971 13.550 4.566) 17.432 3.598 ( 16.519 25.766 -5.689) 31.131 4.211 ( 2.754 6.158 -2.755) 7.286 7.643 ( 8.442 16.947 2.432) 19.089 8.670 ( -11.573 -11.878 2.771) 16.814 10.402 ( -0.319 -3.706 -5.328) 6.498 10.784 ( 0.861 3.499 -23.380) 23.656 13.007 ( -7.934 -26.952 16.689) 32.679 14.727 ( -3.413 3.501 -12.553) 13.471 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 6.876 11.139 9.623) 16.247 2.124 ( 4.260 11.172 4.421) 12.747 2.793 ( 8.565 18.741 -1.707) 20.676 3.147 ( 8.199 7.328 -0.033) 10.996 3.881 ( 4.420 4.659 -9.723) 11.653 4.543 ( 17.020 21.716 3.885) 27.864 7.985 ( 9.708 18.584 2.337) 21.097 8.391 ( -10.050 -4.772 -0.732) 11.150 10.367 ( 0.659 -2.269 -1.769) 2.951 10.709 ( -1.523 -3.846 -20.485) 20.899 12.627 ( -12.313 -26.176 15.829) 32.975 14.642 ( -4.518 1.316 -10.468) 11.477 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 2.632 10.407 1.727) 10.873 2.326 ( 8.669 9.139 7.806) 14.819 3.099 ( 6.191 16.910 -1.539) 18.073 3.292 ( 4.089 4.357 -6.589) 8.895 3.939 ( 2.387 2.092 -2.062) 3.785 5.062 ( 17.933 17.718 2.831) 25.368 8.212 ( -0.602 2.797 -1.018) 3.037 8.389 ( 6.655 18.781 0.314) 19.927 10.361 ( -0.804 1.189 -0.041) 1.436 10.549 ( -2.709 -8.493 -16.680) 18.912 12.167 ( -17.981 -23.680 11.612) 31.920 14.563 ( -1.393 -1.053 -6.416) 6.649 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 0.548 9.858 0.938) 9.918 2.584 ( 9.510 7.467 5.433) 13.256 3.220 ( 0.308 -0.471 -10.335) 10.350 3.434 ( 2.111 17.872 -2.541) 18.175 3.997 ( 1.759 1.454 3.804) 4.436 5.484 ( 14.372 10.611 2.014) 17.978 8.288 ( 6.721 5.831 -2.468) 9.234 8.696 ( 4.894 20.110 0.097) 20.697 10.313 ( -3.604 -4.577 -6.118) 8.448 10.410 ( -1.937 -2.314 -4.379) 5.318 11.645 ( -21.790 -17.230 5.983) 28.416 14.543 ( 3.340 -3.929 -1.996) 5.530 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -1.624 9.477 0.162) 9.616 2.820 ( 9.067 4.992 3.733) 11.003 3.135 ( -2.787 -2.463 -13.140) 13.656 3.619 ( -1.314 17.974 -0.383) 18.026 4.037 ( 0.050 0.361 5.156) 5.169 5.767 ( 9.861 4.051 1.619) 10.783 8.528 ( 13.908 7.864 -3.637) 16.386 8.925 ( 0.028 17.577 -0.887) 17.599 10.191 ( 0.275 -7.463 -5.840) 9.480 10.310 ( -10.144 -2.106 3.234) 10.853 11.194 ( -17.824 -4.358 0.709) 18.363 14.578 ( 6.565 -6.472 1.332) 9.315 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -3.880 8.257 -0.393) 9.131 2.913 ( -3.159 -2.818 -4.664) 6.299 3.121 ( 7.602 4.699 -5.776) 10.641 3.728 ( -5.491 15.868 0.667) 16.805 4.031 ( -2.108 -1.183 4.502) 5.110 5.907 ( 4.485 -1.317 1.406) 4.881 8.841 ( 14.955 3.538 -6.647) 16.744 9.039 ( -3.166 14.156 0.004) 14.506 10.043 ( -16.447 -3.477 5.019) 17.543 10.168 ( 4.540 -3.155 -1.226) 5.663 10.984 ( -9.464 6.391 -2.117) 11.614 14.636 ( 7.465 -7.878 3.392) 11.371 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -5.735 5.372 -0.797) 7.898 2.764 ( -7.868 -1.552 -6.190) 10.130 3.327 ( 11.154 4.585 -4.492) 12.869 3.745 ( -10.278 14.133 1.497) 17.540 3.969 ( -3.995 -3.516 4.175) 6.764 5.901 ( -2.007 -5.129 1.305) 5.660 8.895 ( -2.658 -6.216 -3.485) 7.606 9.167 ( -1.201 8.220 -0.089) 8.308 9.871 ( -2.002 7.179 1.024) 7.523 10.263 ( 5.954 2.597 1.562) 6.681 10.932 ( -4.084 7.086 -2.778) 8.637 14.693 ( 6.956 -7.791 4.445) 11.351 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -6.810 0.871 -1.030) 6.942 2.598 ( -9.954 1.625 -3.513) 10.680 3.526 ( 7.957 3.049 -7.632) 11.439 3.670 ( -13.541 12.583 0.567) 18.494 3.865 ( -3.891 -5.585 6.870) 9.671 5.746 ( -9.503 -7.224 1.288) 12.006 8.722 ( -6.336 -10.061 1.266) 11.957 9.062 ( -15.129 3.293 1.811) 15.589 10.103 ( 13.014 10.646 -4.430) 17.387 10.409 ( 5.920 8.190 -0.756) 10.134 10.979 ( 4.476 4.285 -1.356) 6.343 14.749 ( 6.318 -6.340 4.494) 10.015 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -8.194 -2.240 -0.134) 8.496 2.433 ( -11.419 2.833 -0.878) 11.798 3.448 ( -18.193 7.936 0.174) 19.849 3.591 ( -5.020 -3.383 -6.842) 9.136 3.870 ( 6.361 0.475 4.864) 8.021 5.444 ( -17.934 -7.930 1.376) 19.657 8.526 ( -6.593 -8.205 3.051) 10.959 8.792 ( -18.253 -0.068 2.232) 18.389 10.285 ( 0.332 5.782 -1.069) 5.889 10.719 ( 20.351 11.468 -13.936) 27.201 11.165 ( 12.424 3.005 5.952) 14.100 14.814 ( 6.058 -4.308 3.206) 8.096 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -11.490 -2.731 2.333) 12.038 2.257 ( -11.746 1.268 0.831) 11.843 3.170 ( -21.038 4.357 0.055) 21.485 3.391 ( -11.180 -4.887 -1.848) 12.341 4.015 ( 7.447 1.430 -2.216) 7.900 4.993 ( -26.671 -7.495 1.983) 27.775 8.315 ( -15.510 -3.572 2.162) 16.062 8.529 ( -7.300 -3.829 2.446) 8.599 10.318 ( -0.037 3.558 -1.074) 3.717 11.084 ( 17.009 5.051 -23.990) 29.838 11.528 ( 21.622 6.790 16.448) 28.003 14.884 ( 5.536 -2.905 0.316) 6.259 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -0.000 15.530 7.236) 17.133 1.791 ( -0.000 12.857 17.246) 21.511 2.312 ( 0.000 11.388 -4.546) 12.262 2.690 ( -0.000 20.563 6.669) 21.617 3.277 ( 0.000 37.433 -2.439) 37.512 4.197 ( 0.000 0.944 -6.227) 6.298 7.482 ( -0.000 16.172 1.864) 16.279 8.857 ( -0.000 -11.163 5.711) 12.539 10.507 ( 0.000 -7.411 -1.330) 7.529 10.707 ( 0.000 7.538 -32.557) 33.418 13.130 ( -0.000 -29.130 15.942) 33.207 14.779 ( 0.000 6.948 -12.151) 13.997 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 2.189 11.531 7.911) 14.154 1.980 ( 2.735 11.768 11.813) 16.897 2.488 ( 7.155 14.871 -3.288) 16.827 2.923 ( 3.645 15.854 3.044) 16.550 3.649 ( 5.876 24.918 -6.670) 26.456 4.248 ( 2.181 12.580 -1.405) 12.845 7.702 ( 5.521 18.000 1.729) 18.907 8.720 ( -5.870 -9.962 3.792) 12.168 10.384 ( -3.596 -4.611 -4.122) 7.154 10.695 ( 2.944 -0.583 -25.052) 25.231 12.867 ( -2.959 -29.537 16.614) 34.018 14.786 ( -2.479 5.199 -11.451) 12.818 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 4.329 10.058 7.114) 13.058 2.173 ( 3.914 9.638 7.786) 12.993 2.805 ( 11.030 18.057 -1.776) 21.234 3.116 ( 4.100 8.717 -1.626) 9.769 3.847 ( 3.066 7.347 -8.403) 11.575 4.558 ( 9.755 25.735 3.195) 27.707 8.022 ( 9.196 19.509 2.197) 21.679 8.512 ( -9.283 -4.660 -0.071) 10.387 10.316 ( 0.940 -2.258 -3.010) 3.879 10.619 ( -0.028 -6.253 -19.525) 20.502 12.551 ( -6.035 -29.442 15.498) 33.815 14.722 ( -5.737 3.017 -10.243) 12.122 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 6.462 9.464 5.855) 12.869 2.346 ( 3.651 8.573 5.451) 10.795 3.142 ( 5.388 13.195 -3.034) 14.572 3.241 ( 7.533 8.272 -5.535) 12.483 3.924 ( 2.182 4.510 -2.217) 5.479 5.002 ( 12.305 21.713 2.520) 25.084 8.283 ( -2.765 5.017 0.232) 5.733 8.464 ( 6.181 17.435 0.620) 18.508 10.344 ( 3.729 0.409 -2.230) 4.364 10.462 ( -3.047 -8.787 -15.129) 17.759 12.179 ( -9.582 -27.883 12.359) 31.969 14.604 ( -6.327 0.414 -7.971) 10.185 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 2.663 8.354 4.230) 9.735 2.536 ( 7.291 8.734 4.113) 12.098 3.175 ( 0.053 -1.378 -10.035) 10.129 3.538 ( 6.876 18.629 -2.117) 19.970 4.004 ( 2.040 4.353 2.967) 5.649 5.382 ( 11.207 13.168 1.686) 17.373 8.284 ( 0.402 6.147 -0.719) 6.202 8.806 ( 7.127 21.075 1.842) 22.323 10.259 ( -2.913 -10.987 -12.941) 17.224 10.429 ( 1.682 5.336 0.086) 5.596 11.765 ( -12.898 -22.768 7.670) 27.269 14.488 ( -2.984 -3.103 -4.736) 6.400 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 0.523 9.320 2.232) 9.598 2.745 ( 7.110 6.230 3.231) 9.990 3.108 ( -1.226 -2.430 -11.375) 11.696 3.769 ( 2.120 12.744 0.003) 12.919 4.097 ( 0.095 8.894 3.561) 9.581 5.645 ( 9.143 4.487 1.346) 10.273 8.425 ( 7.206 8.868 -0.357) 11.432 9.085 ( 2.192 17.659 1.232) 17.837 10.085 ( -0.714 -10.039 -8.890) 13.429 10.472 ( -5.107 6.037 1.961) 8.147 11.383 ( -12.318 -11.638 2.184) 17.087 14.424 ( 2.439 -6.956 -1.391) 7.502 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -3.145 9.116 0.162) 9.645 2.888 ( 3.341 -0.136 0.691) 3.414 3.062 ( 1.707 3.376 -9.172) 9.921 3.863 ( 0.596 1.884 3.652) 4.152 4.189 ( -5.713 16.700 0.889) 17.673 5.793 ( 6.777 -2.556 1.302) 7.359 8.663 ( 10.226 7.067 -1.493) 12.520 9.223 ( -2.699 11.429 1.021) 11.788 10.001 ( 3.531 -8.520 -5.143) 10.560 10.370 ( -13.788 7.389 4.719) 16.340 11.169 ( -7.647 1.346 -2.464) 8.146 14.424 ( 7.016 -9.602 1.186) 11.951 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -6.245 3.524 -1.828) 7.400 2.869 ( -4.472 3.274 -2.747) 6.186 3.187 ( 8.320 4.736 -5.080) 10.838 3.869 ( 0.352 -4.546 5.981) 7.521 4.212 ( -12.487 18.896 -0.771) 22.663 5.836 ( 3.257 -6.734 1.278) 7.589 8.808 ( 2.846 -3.201 -2.787) 5.110 9.292 ( -0.546 10.347 2.490) 10.657 9.947 ( -0.174 -5.894 -3.631) 6.925 10.315 ( -5.259 15.166 5.415) 16.941 11.076 ( -6.673 4.136 -4.298) 8.950 14.474 ( 9.224 -9.993 2.534) 13.833 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -7.092 -0.226 -1.552) 7.263 2.798 ( -9.169 6.576 -1.991) 11.457 3.365 ( 9.811 2.938 -7.007) 12.409 3.835 ( -0.143 -6.321 7.690) 9.956 4.123 ( -17.959 15.980 -1.086) 24.063 5.779 ( -2.169 -7.638 1.177) 8.026 8.708 ( -4.375 -9.162 -0.144) 10.154 9.329 ( -8.806 5.371 2.127) 10.531 9.986 ( 9.490 5.194 -4.962) 11.903 10.464 ( 0.698 15.434 4.775) 16.171 10.989 ( -3.710 0.343 -4.364) 5.738 14.551 ( 9.457 -8.382 2.484) 12.879 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -7.692 -0.663 0.337) 7.728 2.670 ( -11.980 4.911 -0.991) 12.986 3.502 ( 5.808 0.453 -9.806) 11.406 3.809 ( 1.004 -4.316 7.542) 8.747 3.915 ( -20.782 10.540 0.386) 23.305 5.616 ( -9.649 -6.155 1.095) 11.497 8.537 ( -5.053 -8.322 1.404) 9.837 9.127 ( -17.772 1.282 1.830) 17.912 10.266 ( 13.099 8.537 -6.285) 16.851 10.597 ( -0.472 9.836 -1.814) 10.013 11.009 ( 8.789 -0.117 2.148) 9.048 14.642 ( 8.803 -5.979 1.025) 10.691 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -9.118 -0.179 2.586) 9.479 2.488 ( -13.067 2.027 0.210) 13.225 3.478 ( -4.286 -2.188 -6.334) 7.955 3.590 ( -22.523 4.169 -0.562) 22.912 3.899 ( 6.322 0.020 3.106) 7.044 5.333 ( -18.632 -3.633 1.332) 19.029 8.396 ( -3.844 -5.560 0.729) 6.799 8.797 ( -21.109 -0.929 1.575) 21.188 10.396 ( -3.495 4.797 -0.840) 5.995 10.764 ( 16.494 2.887 -17.584) 24.281 11.291 ( 18.055 4.314 13.068) 22.702 14.733 ( 7.718 -4.165 -1.678) 8.929 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -0.000 8.712 3.330) 9.327 2.108 ( -0.000 9.970 13.498) 16.781 2.558 ( 0.000 15.374 -2.784) 15.624 3.051 ( 0.000 13.601 -0.199) 13.603 3.778 ( 0.000 13.807 -8.468) 16.197 4.410 ( -0.000 24.975 2.070) 25.061 7.831 ( 0.000 18.047 0.509) 18.054 8.698 ( -0.000 -6.756 2.136) 7.086 10.367 ( 0.000 -5.909 -0.429) 5.925 10.555 ( 0.000 -4.283 -25.433) 25.791 12.647 ( -0.000 -30.347 16.245) 34.422 14.831 ( 0.000 5.479 -10.129) 11.516 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 3.789 7.165 2.176) 8.393 2.246 ( 1.335 8.181 11.431) 14.120 2.784 ( 9.037 15.949 -1.712) 18.410 3.155 ( 0.455 7.592 -5.125) 9.172 3.865 ( 1.064 7.682 -5.719) 9.635 4.727 ( 3.803 29.249 2.979) 29.646 8.068 ( 6.979 18.022 0.250) 19.328 8.601 ( -5.453 -2.804 -1.791) 6.388 10.289 ( -1.604 -2.989 -2.225) 4.057 10.463 ( 2.828 -8.365 -17.061) 19.211 12.372 ( -2.621 -30.726 14.531) 34.090 14.818 ( -4.135 4.482 -8.937) 10.819 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 6.763 7.250 1.820) 10.080 2.384 ( 2.739 6.400 9.510) 11.785 3.140 ( 13.604 16.562 -1.244) 21.469 3.179 ( 0.129 1.603 -9.254) 9.392 3.943 ( 1.196 6.355 -0.923) 6.532 5.088 ( 5.708 24.778 2.226) 25.525 8.368 ( 3.400 11.132 -0.226) 11.641 8.521 ( 1.628 9.369 -2.797) 9.912 10.260 ( 1.804 -3.926 -5.777) 7.214 10.374 ( 0.996 -5.617 -7.984) 9.812 12.049 ( -4.867 -30.037 11.807) 32.639 14.723 ( -8.047 2.619 -7.700) 11.442 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 7.068 6.646 3.948) 10.474 2.525 ( 4.689 6.369 5.452) 9.605 3.138 ( -0.952 -1.317 -10.433) 10.559 3.537 ( 12.922 16.542 -1.704) 21.060 4.024 ( 1.880 4.928 2.522) 5.846 5.394 ( 5.186 16.736 1.389) 17.576 8.371 ( -3.118 6.448 -2.039) 7.447 8.852 ( 11.492 18.569 0.911) 21.856 10.150 ( -1.747 -10.678 -10.347) 14.971 10.424 ( 5.015 4.838 -0.427) 6.982 11.702 ( -6.321 -26.760 8.582) 28.804 14.563 ( -9.220 -0.165 -6.052) 11.030 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 4.545 3.671 6.881) 9.027 2.725 ( 6.431 9.190 0.102) 11.217 3.069 ( -1.118 -2.319 -9.891) 10.221 3.821 ( 3.647 9.533 -0.705) 10.231 4.163 ( 6.314 10.514 2.946) 12.613 5.590 ( 3.638 7.210 0.887) 8.125 8.441 ( 2.325 9.644 0.125) 9.921 9.183 ( 6.366 15.339 1.287) 16.658 9.979 ( -2.215 -10.390 -8.344) 13.508 10.574 ( 3.293 8.925 0.173) 9.515 11.390 ( -5.415 -18.824 4.854) 20.180 14.391 ( -6.317 -3.905 -3.819) 8.351 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 4.416 3.870 4.665) 7.499 2.861 ( -0.600 4.473 -1.748) 4.840 3.036 ( 2.715 2.725 -7.612) 8.528 3.867 ( -1.158 -1.080 2.490) 2.951 4.419 ( 3.060 19.765 0.535) 20.008 5.671 ( 3.357 -2.501 0.824) 4.267 8.616 ( 5.656 9.760 1.305) 11.356 9.352 ( -0.588 8.457 1.047) 8.542 9.848 ( 1.388 -9.335 -6.120) 11.248 10.655 ( -6.263 10.706 2.965) 12.753 11.222 ( -0.928 -5.489 -0.459) 5.586 14.268 ( -0.122 -7.588 -1.329) 7.705 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -5.981 0.932 -2.954) 6.735 2.909 ( 4.237 2.828 2.356) 5.613 3.140 ( 2.985 8.490 -5.969) 10.799 3.819 ( -0.524 -6.756 4.567) 8.172 4.599 ( -7.259 22.530 -0.592) 23.678 5.680 ( 5.011 -9.635 1.010) 10.907 8.766 ( 1.815 3.351 0.533) 3.848 9.390 ( -1.024 6.049 2.163) 6.505 9.802 ( 4.661 -8.324 -5.060) 10.799 10.641 ( -9.392 14.673 5.521) 18.275 11.183 ( -3.164 1.677 -4.352) 5.635 14.238 ( 6.428 -9.171 0.478) 11.210 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -6.848 0.324 -1.229) 6.965 2.976 ( -2.530 5.151 0.208) 5.742 3.249 ( 4.262 6.106 -7.085) 10.278 3.766 ( 1.604 -8.538 6.273) 10.715 4.589 ( -17.041 17.780 -0.755) 24.640 5.673 ( 5.002 -9.767 1.000) 11.019 8.723 ( -5.220 -3.945 0.713) 6.581 9.463 ( -1.040 4.970 2.372) 5.604 9.827 ( 8.635 -2.627 -4.968) 10.303 10.694 ( -4.380 16.645 6.247) 18.310 11.076 ( -8.406 -0.781 -5.498) 10.075 14.301 ( 10.170 -7.823 0.674) 12.848 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -7.400 0.909 1.038) 7.528 2.908 ( -10.189 3.923 -0.739) 10.943 3.368 ( 6.922 2.857 -9.125) 11.805 3.751 ( 2.628 -6.044 7.315) 9.846 4.379 ( -21.956 8.420 -0.125) 23.516 5.649 ( -0.283 -4.898 0.789) 4.969 8.576 ( -6.732 -4.223 1.307) 8.054 9.384 ( -10.724 -0.356 1.182) 10.795 10.042 ( 15.830 4.198 -5.520) 17.283 10.828 ( -8.746 14.414 3.348) 17.189 10.887 ( 1.496 -6.426 -1.473) 6.760 14.418 ( 10.616 -5.066 -0.739) 11.786 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -8.027 1.612 3.128) 8.765 2.727 ( -13.005 0.668 -0.160) 13.023 3.453 ( 3.197 1.397 -10.484) 11.049 3.778 ( 2.669 -2.824 5.004) 6.335 4.042 ( -21.759 0.806 1.912) 21.858 5.551 ( -8.994 -0.423 0.839) 9.042 8.438 ( -6.064 -1.984 0.051) 6.381 9.130 ( -17.917 -1.697 1.067) 18.028 10.349 ( 16.001 4.309 -7.297) 18.106 10.627 ( -7.204 -5.381 -5.333) 10.455 11.104 ( 12.136 5.797 9.800) 16.641 14.545 ( 9.168 -2.777 -3.068) 10.058 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -0.000 5.447 0.853) 5.513 2.342 ( -0.000 6.401 10.867) 12.612 2.845 ( 0.000 14.499 -1.320) 14.559 3.188 ( 0.000 3.507 -9.277) 9.918 3.923 ( 0.000 8.083 -2.016) 8.330 4.994 ( -0.000 28.756 2.523) 28.867 8.166 ( 0.000 15.733 -1.331) 15.789 8.620 ( 0.000 -0.530 -5.825) 5.849 10.288 ( -0.000 -1.882 0.935) 2.101 10.291 ( 0.000 -8.950 -13.408) 16.120 12.131 ( -0.000 -31.304 12.370) 33.659 14.878 ( 0.000 4.944 -7.517) 8.997 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 4.995 4.939 0.419) 7.037 2.436 ( 1.105 4.649 9.906) 10.999 3.065 ( 9.771 12.919 -1.274) 16.248 3.170 ( -0.199 0.641 -10.995) 11.015 4.001 ( 0.082 7.397 0.711) 7.432 5.281 ( 1.647 24.602 1.770) 24.720 8.378 ( 7.697 13.239 -1.602) 15.397 8.576 ( -2.082 3.105 -8.462) 9.251 10.173 ( -0.282 -7.474 -6.280) 9.766 10.303 ( 1.882 0.006 0.157) 1.889 11.840 ( -1.994 -30.850 9.599) 32.370 14.857 ( -5.582 4.248 -6.469) 9.542 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 8.771 5.135 0.291) 10.168 2.534 ( 2.574 3.150 9.092) 9.961 3.111 ( -0.904 -1.147 -10.725) 10.824 3.425 ( 15.908 13.026 -1.091) 20.589 4.064 ( -0.281 4.901 2.009) 5.305 5.523 ( 1.153 18.327 1.078) 18.395 8.475 ( -2.813 5.763 -5.835) 8.670 8.778 ( 15.053 13.391 -2.199) 20.266 10.069 ( -2.073 -7.283 -4.178) 8.648 10.372 ( 4.631 2.957 0.636) 5.532 11.532 ( -2.765 -27.924 7.128) 28.952 14.733 ( -10.540 2.616 -5.626) 12.231 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 5.707 2.570 4.300) 7.594 2.665 ( 8.437 5.012 3.605) 10.454 3.049 ( -1.639 -1.067 -8.796) 9.011 3.807 ( 11.778 11.850 -1.700) 16.794 4.124 ( 4.544 3.205 2.833) 6.240 5.669 ( -1.426 10.810 0.563) 10.918 8.507 ( 0.568 8.418 -2.720) 8.865 9.156 ( 13.170 11.866 -0.996) 17.755 9.932 ( -4.674 -6.353 -3.396) 8.588 10.524 ( 9.182 4.131 -0.448) 10.079 11.266 ( -1.958 -20.944 5.651) 21.781 14.530 ( -12.708 0.206 -4.525) 13.492 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 4.927 0.355 4.847) 6.920 2.889 ( 7.649 7.206 0.811) 10.540 2.987 ( -0.715 -0.501 -6.637) 6.695 3.915 ( -3.454 1.471 0.067) 3.755 4.409 ( 16.357 11.597 1.026) 20.077 5.683 ( -4.654 2.330 0.263) 5.211 8.637 ( 4.148 9.424 0.453) 10.307 9.398 ( 4.697 6.362 -0.886) 7.958 9.775 ( -4.839 -6.307 -2.803) 8.429 10.742 ( 8.749 6.910 -1.480) 11.247 11.118 ( 1.888 -10.745 4.460) 11.786 14.303 ( -10.490 -2.614 -2.849) 11.180 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 4.949 -0.785 1.772) 5.315 2.900 ( -3.939 1.884 -1.797) 4.722 3.132 ( 7.928 7.605 -1.869) 11.144 3.819 ( -5.357 -4.351 1.324) 7.027 4.795 ( 10.597 17.109 0.002) 20.125 5.569 ( -5.112 -7.558 0.326) 9.130 8.787 ( 2.518 5.689 1.324) 6.360 9.464 ( -0.749 4.281 0.502) 4.375 9.656 ( 0.198 -7.082 -3.173) 7.763 10.871 ( -2.063 7.681 1.976) 8.195 11.156 ( 6.293 -1.008 -0.624) 6.404 14.136 ( -3.583 -4.534 -0.962) 5.859 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -5.658 1.488 -0.372) 5.862 2.943 ( 5.758 -0.522 -0.077) 5.782 3.303 ( 2.019 10.437 -3.683) 11.250 3.685 ( -2.351 -9.103 3.495) 10.031 5.014 ( -10.315 19.015 -0.654) 21.642 5.440 ( 7.145 -14.508 0.775) 16.190 8.796 ( -4.405 -0.546 1.172) 4.591 9.511 ( -0.245 3.017 1.693) 3.468 9.646 ( 7.110 -2.173 -3.557) 8.242 10.882 ( -3.636 3.626 2.899) 5.897 11.197 ( -3.447 3.301 -2.349) 5.320 14.104 ( 4.840 -3.800 -0.176) 6.156 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -7.005 2.389 1.844) 7.627 3.005 ( 1.422 -1.721 -1.654) 2.778 3.353 ( -3.635 7.585 -7.035) 10.966 3.641 ( 5.216 -7.009 6.296) 10.769 4.800 ( -21.399 0.808 -0.172) 21.415 5.544 ( 8.877 -0.875 0.463) 8.932 8.685 ( -7.407 -0.373 1.824) 7.637 9.479 ( -2.648 -3.418 -0.884) 4.414 9.830 ( 11.658 5.011 -2.108) 12.864 10.815 ( -2.704 -9.028 -0.818) 9.459 11.124 ( -9.376 8.527 1.986) 12.828 14.207 ( 9.414 -1.033 -1.206) 9.547 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -7.619 2.614 3.580) 8.815 2.910 ( -8.647 -2.909 -0.773) 9.155 3.374 ( 3.399 2.977 -9.834) 10.823 3.710 ( 4.408 -1.882 6.257) 7.882 4.394 ( -21.670 -7.182 0.583) 22.837 5.642 ( -0.014 3.857 0.462) 3.885 8.569 ( -8.235 2.913 0.904) 8.782 9.344 ( -9.465 -3.657 -0.654) 10.168 10.088 ( 14.519 3.474 -4.111) 15.484 10.616 ( -3.918 -15.550 -2.683) 16.259 11.115 ( -1.996 6.974 6.056) 9.450 14.367 ( 9.342 1.476 -3.051) 9.938 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 0.000 3.781 0.050) 3.782 2.493 ( -0.000 2.876 9.288) 9.724 3.092 ( 0.000 11.160 -0.643) 11.179 3.132 ( 0.000 -1.084 -11.562) 11.612 4.077 ( -0.000 6.910 1.528) 7.077 5.501 ( -0.000 21.373 1.074) 21.400 8.412 ( 0.000 10.443 -2.316) 10.697 8.586 ( 0.000 2.385 -12.042) 12.276 10.102 ( 0.000 -5.006 -0.679) 5.052 10.306 ( -0.000 2.561 1.685) 3.065 11.577 ( -0.000 -30.668 6.612) 31.372 14.934 ( 0.000 4.625 -5.380) 7.095 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 5.823 3.343 0.014) 6.714 2.551 ( 1.247 1.377 8.827) 9.021 3.082 ( -0.491 -0.791 -9.781) 9.825 3.291 ( 11.147 9.371 -0.654) 14.578 4.133 ( -1.062 4.841 1.437) 5.160 5.691 ( -0.001 16.500 0.482) 16.507 8.533 ( 0.210 5.604 -6.909) 8.898 8.633 ( 10.485 7.011 -5.662) 13.826 10.058 ( -2.003 -2.065 2.278) 3.669 10.351 ( 1.281 2.884 1.245) 3.393 11.299 ( -0.129 -27.828 4.115) 28.131 14.904 ( -6.772 3.901 -4.723) 9.132 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 9.793 3.055 -0.178) 10.260 2.618 ( 2.967 0.165 8.200) 8.722 3.042 ( -0.850 0.340 -7.088) 7.147 3.632 ( 18.124 8.596 -0.856) 20.078 4.141 ( -2.067 1.820 1.113) 2.971 5.813 ( -1.970 10.910 0.114) 11.087 8.560 ( 0.262 6.549 -5.126) 8.320 8.966 ( 18.486 7.311 -2.457) 20.031 9.994 ( -5.652 0.479 2.281) 6.114 10.402 ( 4.402 -2.241 -0.312) 4.950 11.088 ( 1.777 -18.795 3.406) 19.183 14.755 ( -12.566 2.556 -4.124) 13.470 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 4.786 -0.582 3.023) 5.691 2.759 ( 11.286 2.462 2.934) 11.918 3.014 ( -1.968 1.821 -3.836) 4.680 3.971 ( 4.556 5.935 -2.301) 7.828 4.179 ( 13.225 1.009 1.846) 13.391 5.826 ( -6.118 5.096 -0.191) 7.964 8.651 ( 3.360 7.078 -1.125) 7.916 9.298 ( 12.541 4.287 -2.430) 13.474 9.876 ( -9.641 0.383 1.556) 9.773 10.508 ( 14.907 -5.115 -2.398) 15.941 11.019 ( 2.662 -6.826 4.359) 8.525 14.520 ( -15.396 1.118 -3.055) 15.736 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 4.834 -1.953 2.006) 5.586 2.970 ( 1.245 1.278 -2.606) 3.158 3.015 ( 7.851 4.593 3.023) 9.585 3.909 ( -7.536 -1.084 -1.726) 7.807 4.581 ( 23.636 4.608 0.620) 24.089 5.701 ( -11.322 -0.018 -0.396) 11.329 8.775 ( 4.109 3.293 0.048) 5.266 9.454 ( 4.809 2.262 -2.183) 5.745 9.704 ( -9.601 -1.238 1.690) 9.827 10.783 ( 17.864 0.667 -4.499) 18.434 11.039 ( 3.254 -2.566 5.505) 6.891 14.267 ( -13.453 0.404 -1.372) 13.529 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 5.612 -2.103 -0.303) 6.001 2.935 ( -4.423 2.451 0.591) 5.091 3.250 ( 11.211 3.550 2.148) 11.955 3.736 ( -9.304 -3.219 -2.035) 10.054 5.004 ( 21.752 0.321 0.441) 21.759 5.452 ( -16.387 -0.677 -0.505) 16.409 8.818 ( 0.725 -2.698 -1.032) 2.978 9.535 ( 0.097 -2.897 -1.035) 3.078 9.591 ( -1.091 7.287 2.371) 7.740 10.924 ( -0.511 -1.951 -1.625) 2.590 11.162 ( 9.837 0.003 1.410) 9.938 14.101 ( -5.960 1.547 0.123) 6.159 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -2.793 2.677 1.460) 4.135 2.897 ( 2.809 -2.894 -1.455) 4.288 3.464 ( 9.670 1.861 3.479) 10.444 3.534 ( -9.717 -2.015 -3.354) 10.475 5.032 ( -10.651 -18.730 0.125) 21.547 5.418 ( 7.695 13.771 -0.154) 15.775 8.774 ( -1.945 -1.740 -0.088) 2.612 9.452 ( -2.014 -4.752 -0.514) 5.187 9.754 ( 5.970 9.258 0.872) 11.050 10.792 ( -6.340 -10.995 -0.722) 12.713 11.263 ( 0.402 1.578 0.481) 1.698 14.109 ( 3.005 4.357 0.031) 5.293 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -7.301 1.687 3.604) 8.315 2.922 ( 2.029 -3.751 -2.751) 5.076 3.371 ( -4.114 -2.332 -4.425) 6.477 3.638 ( 5.960 3.674 3.401) 7.784 4.609 ( -16.823 -17.269 0.151) 24.109 5.653 ( 5.395 8.965 0.152) 10.464 8.736 ( -4.502 4.645 1.063) 6.555 9.370 ( -1.536 -6.085 -1.553) 6.465 9.949 ( 7.170 7.095 -0.479) 10.098 10.519 ( -6.946 -18.357 -0.999) 19.652 11.234 ( -4.222 -0.019 1.974) 4.661 14.257 ( 7.157 6.685 -1.305) 9.880 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -0.000 2.378 0.095) 2.380 2.572 ( -0.000 -0.139 8.330) 8.331 3.055 ( 0.000 0.094 -7.575) 7.576 3.268 ( 0.000 6.973 -0.264) 6.978 4.189 ( -0.000 3.559 0.615) 3.611 5.837 ( 0.000 12.655 -0.089) 12.656 8.555 ( 0.000 5.707 -1.321) 5.858 8.581 ( 0.000 4.317 -9.013) 9.993 10.087 ( -0.000 1.356 4.735) 4.925 10.383 ( -0.000 3.720 0.831) 3.812 11.035 ( -0.000 -26.222 1.240) 26.251 14.989 ( 0.000 3.747 -4.153) 5.594 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 6.213 1.771 0.133) 6.462 2.600 ( 1.346 -1.454 7.693) 7.944 3.044 ( -0.235 1.952 -4.359) 4.782 3.429 ( 11.864 4.959 -0.224) 12.861 4.198 ( -1.953 1.491 -0.361) 2.484 5.932 ( -0.891 8.093 -0.389) 8.151 8.606 ( -0.066 6.457 -3.360) 7.279 8.725 ( 13.680 4.107 -1.073) 14.323 10.105 ( -2.154 3.621 3.891) 5.735 10.365 ( -4.300 -3.500 -1.253) 5.684 10.859 ( 5.477 -16.104 0.787) 17.028 14.946 ( -7.411 2.864 -3.790) 8.803 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 9.233 0.671 -0.339) 9.263 2.641 ( 4.038 -2.198 6.433) 7.907 3.057 ( -0.850 3.774 -0.879) 3.968 3.747 ( 20.069 3.504 -0.461) 20.378 4.149 ( -3.786 -0.932 -1.147) 4.064 5.952 ( -3.539 3.410 -0.635) 4.955 8.675 ( 0.964 6.223 0.954) 6.369 9.055 ( 18.799 3.529 -0.821) 19.145 10.084 ( -10.591 4.246 2.464) 11.673 10.235 ( 6.183 -10.025 -3.465) 12.278 10.891 ( 7.088 -4.292 2.033) 8.532 14.779 ( -13.353 2.028 -3.083) 13.853 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 4.171 -2.881 1.105) 5.188 2.793 ( 12.300 -0.541 2.168) 12.502 3.078 ( -2.011 5.021 2.488) 5.954 4.012 ( -4.628 0.479 -3.936) 6.094 4.183 ( 22.874 -1.851 1.287) 22.985 5.868 ( -7.785 -0.364 -0.861) 7.841 8.744 ( 1.488 1.329 1.560) 2.533 9.346 ( 11.129 2.828 -1.253) 11.551 9.884 ( -10.760 -1.902 1.171) 10.989 10.426 ( 19.112 1.690 -2.472) 19.345 10.969 ( 4.267 -2.606 2.798) 5.730 14.536 ( -15.928 2.029 -1.627) 16.139 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 4.952 -3.646 -0.462) 6.167 2.975 ( 6.762 -1.156 0.130) 6.861 3.127 ( 2.704 4.696 6.166) 8.209 3.864 ( -8.620 -1.380 -4.279) 9.722 4.577 ( 24.144 -5.503 0.493) 24.768 5.690 ( -11.274 -0.589 -0.874) 11.323 8.744 ( 1.191 -5.509 -1.378) 5.802 9.491 ( 4.201 0.355 -0.624) 4.262 9.746 ( -6.872 5.411 3.686) 9.492 10.799 ( 17.915 4.792 -4.997) 19.206 10.984 ( 2.703 -6.965 4.229) 8.585 14.305 ( -13.330 3.683 0.333) 13.833 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 6.246 -3.982 -2.460) 7.805 2.987 ( -3.218 0.372 2.243) 3.940 3.290 ( 9.150 -0.803 6.540) 11.275 3.695 ( -8.640 1.560 -5.550) 10.387 4.798 ( 11.528 -17.826 0.186) 21.230 5.549 ( -5.453 7.146 -0.603) 9.009 8.705 ( 3.121 -6.577 -2.392) 7.663 9.471 ( -2.669 -4.145 0.907) 5.013 9.806 ( 0.406 11.997 3.260) 12.439 10.811 ( -7.352 -8.567 0.020) 11.289 11.141 ( 12.653 -1.454 -1.799) 12.863 14.194 ( -5.570 6.885 1.608) 9.000 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -0.000 0.910 0.439) 1.010 2.590 ( -0.000 -2.686 6.923) 7.426 3.067 ( 0.000 3.959 -0.871) 4.054 3.360 ( 0.000 2.459 -0.012) 2.459 4.222 ( 0.000 0.108 -1.600) 1.604 5.998 ( 0.000 4.099 -0.672) 4.154 8.635 ( -0.000 2.759 0.920) 2.909 8.674 ( -0.000 7.784 1.735) 7.975 10.131 ( 0.000 -2.107 -0.733) 2.231 10.433 ( 0.000 0.930 -1.027) 1.385 10.643 ( -0.000 -10.338 0.465) 10.348 15.023 ( 0.000 2.117 -3.717) 4.278 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 6.112 0.059 0.325) 6.121 2.588 ( 1.317 -3.777 5.646) 6.919 3.116 ( -0.339 5.813 2.599) 6.377 3.480 ( 12.268 0.264 0.072) 12.271 4.188 ( -2.379 -1.570 -2.788) 3.986 6.005 ( -1.266 -0.265 -0.924) 1.589 8.736 ( 2.377 3.505 3.573) 5.542 8.809 ( 10.406 5.989 4.753) 12.913 10.071 ( 0.854 -9.709 -6.475) 11.702 10.307 ( -9.713 3.395 0.439) 10.298 10.728 ( 9.043 0.431 1.235) 9.137 14.965 ( -7.318 1.342 -3.420) 8.189 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 6.657 -2.084 -0.538) 6.997 2.615 ( 6.300 -3.741 4.179) 8.435 3.176 ( -1.399 6.715 5.378) 8.716 3.760 ( 20.884 -2.158 0.096) 20.996 4.095 ( -4.613 -2.857 -3.927) 6.699 5.939 ( -3.584 -4.142 -1.229) 5.613 8.772 ( -2.035 0.224 4.942) 5.349 9.117 ( 17.018 1.761 2.530) 17.295 9.952 ( -2.033 -6.003 -4.122) 7.561 10.292 ( 1.991 7.960 -0.328) 8.212 10.875 ( 5.833 1.408 1.187) 6.117 14.796 ( -12.595 1.371 -2.360) 12.887 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 3.794 -4.603 -0.706) 6.007 2.763 ( 11.996 -3.829 1.693) 12.706 3.229 ( -2.474 6.837 7.512) 10.454 3.959 ( -6.305 -2.675 -5.193) 8.594 4.108 ( 23.709 -6.537 0.177) 24.594 5.802 ( -5.871 -5.725 -1.261) 8.297 8.700 ( -3.250 -6.235 0.825) 7.079 9.351 ( 10.565 -4.728 -0.188) 11.576 9.908 ( -3.111 6.988 3.424) 8.380 10.524 ( 15.926 6.621 -1.868) 17.348 10.939 ( 0.221 -0.135 0.898) 0.934 14.578 ( -14.062 2.853 -0.412) 14.355 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 5.077 -5.041 -2.243) 7.498 2.901 ( 8.668 -6.786 0.845) 11.041 3.284 ( -0.986 6.289 9.251) 11.229 3.812 ( -6.583 -0.598 -6.032) 8.949 4.379 ( 18.315 -14.302 -0.189) 23.238 5.657 ( -4.343 -2.755 -0.913) 5.224 8.589 ( 0.058 -8.174 -1.626) 8.334 9.394 ( 4.343 -9.436 -0.948) 10.430 9.986 ( -3.217 14.705 6.617) 16.443 10.816 ( 6.991 -10.572 3.371) 13.115 10.920 ( 3.736 9.435 -6.095) 11.838 14.407 ( -10.496 5.821 1.799) 12.137 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -0.000 -0.742 0.683) 1.009 2.552 ( -0.000 -4.767 4.569) 6.602 3.198 ( -0.000 7.495 5.929) 9.557 3.364 ( -0.000 -2.128 0.152) 2.133 4.175 ( 0.000 -3.029 -4.058) 5.064 5.988 ( 0.000 -4.645 -1.176) 4.792 8.674 ( -0.000 -0.105 2.756) 2.758 8.884 ( -0.000 7.399 12.216) 14.282 9.960 ( 0.000 -6.704 -8.597) 10.902 10.401 ( 0.000 -2.909 -2.533) 3.857 10.695 ( -0.000 10.782 1.986) 10.964 15.025 ( 0.000 0.439 -3.683) 3.709 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 5.492 -1.863 0.258) 5.805 2.522 ( 1.395 -5.710 3.264) 6.723 3.288 ( -0.903 7.721 8.285) 11.361 3.441 ( 12.239 -4.228 0.369) 12.954 4.106 ( -2.216 -4.138 -5.309) 7.087 5.908 ( -1.032 -8.935 -1.528) 9.123 8.749 ( 6.526 -3.079 2.744) 7.720 8.965 ( 1.595 0.184 10.083) 10.210 9.918 ( 0.680 3.017 -4.405) 5.383 10.345 ( -1.040 -0.434 -1.749) 2.081 10.854 ( 3.091 11.463 0.073) 11.872 14.959 ( -6.535 0.249 -3.260) 7.307 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 3.693 -4.745 -1.079) 6.108 2.545 ( 8.315 -5.429 2.260) 10.184 3.363 ( -2.030 6.791 9.672) 11.991 3.664 ( 19.482 -7.759 0.715) 20.983 3.996 ( -3.664 -3.622 -6.651) 8.413 5.775 ( -1.809 -11.758 -1.665) 12.012 8.719 ( -4.695 -7.176 1.719) 8.746 9.066 ( 12.457 -9.390 1.433) 15.666 10.021 ( 1.371 12.846 4.022) 13.531 10.394 ( 6.144 2.802 0.312) 6.760 10.988 ( -0.233 10.570 -1.776) 10.720 14.808 ( -10.575 1.348 -1.778) 10.807 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 3.718 -6.124 -1.994) 7.437 2.661 ( 10.512 -7.391 0.873) 12.880 3.410 ( -2.585 5.049 10.315) 11.772 3.852 ( 2.513 -7.025 -1.729) 7.659 3.938 ( 12.981 -7.415 -4.961) 15.751 5.627 ( -0.764 -11.437 -1.343) 11.541 8.547 ( -4.737 -8.361 -0.724) 9.637 9.143 ( 10.106 -14.644 -1.573) 17.862 10.200 ( -0.142 16.064 8.178) 18.026 10.573 ( 10.288 -0.803 2.879) 10.713 11.045 ( -4.018 12.054 -5.248) 13.747 14.644 ( -10.792 3.772 0.616) 11.449 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -0.000 -2.659 0.573) 2.720 2.459 ( -0.000 -6.789 2.096) 7.105 3.279 ( -0.000 -6.574 0.233) 6.578 3.406 ( -0.000 7.692 10.579) 13.080 4.060 ( 0.000 -5.071 -6.417) 8.179 5.798 ( 0.000 -13.822 -1.879) 13.949 8.646 ( -0.000 -5.176 2.774) 5.872 8.969 ( -0.000 -6.989 6.457) 9.515 9.997 ( -0.000 14.902 3.538) 15.316 10.310 ( 0.000 -3.953 -2.497) 4.675 10.977 ( 0.000 16.810 -2.175) 16.950 15.002 ( 0.000 -0.269 -3.669) 3.679 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 4.276 -4.095 -0.287) 5.928 2.403 ( 1.893 -7.860 1.184) 8.171 3.304 ( 11.049 -8.836 0.426) 14.154 3.494 ( -0.902 4.321 11.107) 11.952 3.980 ( -1.464 -3.579 -6.929) 7.934 5.636 ( 0.120 -17.758 -2.080) 17.880 8.642 ( 4.897 -9.322 0.987) 10.576 8.866 ( -0.804 -11.183 0.424) 11.220 10.171 ( -1.639 13.908 6.036) 15.250 10.341 ( 5.420 6.028 5.004) 9.527 11.129 ( -0.969 16.969 -4.932) 17.697 14.944 ( -5.252 0.371 -3.030) 6.074 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 2.395 -7.460 -1.772) 8.033 2.426 ( 8.397 -7.589 0.591) 11.334 3.444 ( 14.380 -10.131 1.236) 17.633 3.519 ( 0.774 -4.120 8.423) 9.409 3.918 ( -2.203 1.604 -5.428) 6.074 5.459 ( 1.850 -19.418 -1.850) 19.594 8.548 ( -4.008 -9.435 -1.706) 10.392 8.809 ( 8.837 -15.480 -1.338) 17.875 10.274 ( 4.224 4.286 1.509) 6.204 10.581 ( 1.826 17.182 15.428) 23.164 11.234 ( -3.724 16.680 -8.479) 19.078 14.833 ( -7.922 2.246 -1.130) 8.311 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -0.000 -4.984 0.020) 4.984 2.307 ( -0.000 -9.497 -0.199) 9.499 3.112 ( -0.000 -10.536 0.230) 10.538 3.548 ( -0.000 -2.864 9.062) 9.504 3.956 ( 0.000 0.849 -4.504) 4.583 5.425 ( 0.000 -22.931 -2.384) 23.055 8.484 ( -0.000 -12.630 0.856) 12.659 8.770 ( 0.000 -10.896 -3.772) 11.531 10.250 ( 0.000 -0.555 -0.781) 0.958 10.500 ( -0.000 25.753 19.763) 32.462 11.297 ( 0.000 18.739 -8.358) 20.518 14.980 ( 0.000 0.387 -3.466) 3.488 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 1.077 -9.661 -1.695) 9.867 2.239 ( 4.634 -8.024 -0.174) 9.267 3.092 ( 10.178 -12.729 0.138) 16.299 3.492 ( -0.457 -10.314 4.194) 11.143 3.976 ( -1.142 5.812 0.163) 5.925 5.190 ( 2.169 -26.276 -2.348) 26.470 8.393 ( 4.931 -16.013 -0.980) 16.783 8.638 ( -1.914 -8.724 -4.574) 10.035 10.258 ( 0.770 2.084 0.502) 2.278 10.832 ( 0.760 23.851 23.758) 33.673 11.433 ( -2.380 19.378 -12.426) 23.143 14.945 ( -3.709 1.531 -2.592) 4.777 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 0.000 -13.336 -2.387) 13.548 2.120 ( 0.000 -8.239 -0.920) 8.291 2.877 ( -0.000 -13.222 0.169) 13.223 3.371 ( -0.000 -15.480 0.621) 15.493 4.056 ( -0.000 6.415 3.839) 7.476 4.878 ( 0.000 -31.060 -2.762) 31.183 8.173 ( 0.000 -18.382 -1.025) 18.410 8.577 ( 0.000 -4.502 -6.356) 7.789 10.287 ( -0.000 4.092 0.881) 4.186 11.134 ( -0.000 20.794 28.087) 34.947 11.615 ( 0.000 22.795 -15.703) 27.681 14.980 ( 0.000 1.643 -3.042) 3.458 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -0.000 0.000 20.847) 20.847 0.602 ( -0.000 0.000 20.847) 20.847 1.282 ( -0.000 0.000 45.491) 45.491 2.050 ( 0.000 -0.000 -3.984) 3.984 2.050 ( 0.000 -0.000 -3.984) 3.984 4.996 ( 0.000 -0.000 -13.218) 13.218 6.963 ( -0.000 0.000 2.644) 2.644 6.963 ( -0.000 0.000 2.644) 2.644 10.801 ( 0.000 -0.000 -1.458) 1.458 10.801 ( 0.000 -0.000 -1.458) 1.458 14.157 ( -0.000 0.000 1.198) 1.198 14.330 ( 0.000 -0.000 -0.644) 0.644 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 14.278 8.243 15.298) 22.491 1.045 ( 17.662 10.197 20.044) 28.595 1.614 ( 20.445 11.804 33.638) 41.096 2.066 ( 2.637 1.523 -4.310) 5.277 2.187 ( 12.597 7.273 -4.576) 15.248 4.509 ( -16.594 -9.581 -1.323) 19.207 7.026 ( 4.775 2.757 2.681) 6.130 8.332 ( 67.805 39.147 -35.778) 86.082 10.535 ( -17.383 -10.036 -5.598) 20.838 10.767 ( -2.764 -1.596 -1.452) 3.506 14.039 ( -11.290 -6.518 4.908) 13.930 14.476 ( 10.820 6.247 -8.242) 14.967 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 18.065 10.430 9.815) 23.053 1.386 ( 9.016 5.205 23.234) 25.460 2.145 ( 5.610 3.239 -4.481) 7.877 2.285 ( 25.516 14.732 16.748) 33.891 2.604 ( 27.231 15.722 -3.997) 31.697 4.269 ( -5.834 -3.368 -6.243) 9.184 7.192 ( 9.131 5.272 2.370) 10.807 9.077 ( 2.009 1.160 -3.669) 4.341 10.328 ( 9.941 5.739 -30.484) 32.573 10.674 ( -4.888 -2.822 -1.380) 5.811 13.740 ( -16.553 -9.557 11.372) 22.241 14.630 ( 4.945 2.855 -13.040) 14.235 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 15.269 8.815 6.538) 18.804 1.655 ( 9.846 5.685 17.530) 20.895 2.299 ( 9.369 5.409 -4.066) 11.558 2.776 ( 16.858 9.733 7.466) 20.849 3.334 ( 33.215 19.177 -2.781) 38.454 4.175 ( -0.149 -0.086 -6.168) 6.171 7.448 ( 12.715 7.341 1.713) 14.781 8.776 ( -19.630 -11.333 3.788) 22.981 10.549 ( -5.601 -3.234 -1.151) 6.569 10.592 ( 14.942 8.627 -29.746) 34.387 13.371 ( -19.788 -11.425 15.937) 27.858 14.633 ( -0.247 -0.142 -13.839) 13.842 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 9.976 5.760 3.453) 12.026 1.945 ( 11.849 6.841 11.736) 18.026 2.544 ( 12.770 7.373 -2.530) 14.961 3.116 ( 11.360 6.559 2.901) 13.434 3.845 ( 10.179 5.877 -11.442) 16.403 4.378 ( 21.612 12.478 3.842) 25.249 7.765 ( 14.703 8.489 0.742) 16.993 8.393 ( -13.262 -7.657 0.095) 15.314 10.427 ( -4.690 -2.708 -0.637) 5.453 10.724 ( 3.668 2.118 -22.431) 22.827 12.926 ( -24.278 -14.017 15.715) 32.138 14.580 ( -0.317 -0.183 -10.707) 10.713 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 6.456 3.727 1.172) 7.546 2.254 ( 12.652 7.305 7.768) 16.546 2.833 ( 12.613 7.282 -1.153) 14.610 3.287 ( 3.932 2.270 -5.236) 6.931 3.935 ( 3.377 1.950 -4.302) 5.806 4.952 ( 24.314 14.038 3.492) 28.291 8.098 ( 14.294 8.253 -0.501) 16.513 8.212 ( -2.184 -1.261 -2.478) 3.535 10.343 ( -2.505 -1.446 0.263) 2.905 10.651 ( -3.880 -2.240 -17.084) 17.662 12.359 ( -29.339 -16.939 11.001) 35.620 14.579 ( 2.390 1.380 -4.751) 5.494 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 4.417 2.550 0.014) 5.101 2.555 ( 12.063 6.964 5.161) 14.854 3.087 ( 9.883 5.706 -0.535) 11.424 3.277 ( -1.814 -1.047 -12.342) 12.518 4.004 ( 2.623 1.514 3.217) 4.419 5.444 ( 18.105 10.453 2.408) 21.044 8.277 ( 8.511 4.914 -4.220) 10.695 8.390 ( 11.563 6.676 -1.839) 13.477 10.316 ( -0.168 -0.097 1.447) 1.460 10.483 ( -6.508 -3.757 -11.657) 13.869 11.691 ( -31.116 -17.965 5.917) 36.414 14.649 ( 4.071 2.350 0.377) 4.716 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 2.717 1.569 -0.529) 3.182 2.827 ( 10.701 6.178 3.345) 12.801 3.156 ( -4.674 -2.699 -14.599) 15.565 3.269 ( 6.195 3.576 -0.285) 7.159 4.060 ( 0.982 0.567 5.608) 5.722 5.781 ( 11.103 6.411 1.757) 12.941 8.548 ( 16.265 9.390 -6.482) 19.868 8.602 ( 7.714 4.454 -2.844) 9.350 10.291 ( -9.112 -5.261 -4.396) 11.403 10.333 ( 0.720 0.416 2.487) 2.622 11.049 ( -24.632 -14.221 1.943) 28.509 14.748 ( 3.768 2.176 3.436) 5.545 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 1.006 0.581 -0.744) 1.379 2.936 ( -5.555 -3.207 -7.316) 9.730 3.121 ( 9.557 5.518 -5.091) 12.153 3.363 ( 2.204 1.273 -0.165) 2.551 4.074 ( -1.404 -0.811 5.669) 5.897 5.953 ( 3.595 2.076 1.409) 4.384 8.723 ( 3.826 2.209 -3.112) 5.404 8.941 ( 19.752 11.404 -10.518) 25.116 9.986 ( -17.555 -10.135 5.347) 20.964 10.347 ( -0.447 -0.258 2.910) 2.955 10.701 ( -5.371 -3.101 -1.573) 6.398 14.830 ( 2.261 1.306 5.065) 5.698 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -0.768 -0.443 -0.734) 1.151 2.743 ( -8.081 -4.666 -8.348) 12.521 3.357 ( 11.389 6.575 -4.412) 13.871 3.367 ( -1.822 -1.052 -0.084) 2.106 4.027 ( -4.327 -2.498 5.900) 7.731 5.949 ( -4.352 -2.512 1.385) 5.212 8.755 ( -0.320 -0.185 -2.548) 2.574 9.225 ( 0.236 0.136 -8.968) 8.972 9.748 ( 4.283 2.473 4.274) 6.536 10.324 ( -2.266 -1.308 2.528) 3.638 10.728 ( 6.330 3.654 -0.442) 7.322 14.880 ( 0.765 0.442 5.970) 6.035 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -2.610 -1.507 -0.517) 3.058 2.533 ( -8.648 -4.993 -5.597) 11.448 3.282 ( -5.693 -3.287 -0.018) 6.574 3.585 ( 9.520 5.496 -8.363) 13.812 3.924 ( -5.960 -3.441 8.111) 10.637 5.765 ( -12.267 -7.082 1.590) 14.254 8.685 ( -5.598 -3.232 -1.325) 6.598 8.986 ( -13.926 -8.040 4.115) 16.599 10.141 ( 24.550 14.174 -10.948) 30.389 10.273 ( -2.367 -1.367 1.436) 3.087 10.936 ( 11.187 6.459 1.925) 13.060 14.908 ( 0.287 0.166 6.305) 6.313 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -4.609 -2.661 -0.034) 5.322 2.315 ( -9.676 -5.586 -1.951) 11.342 3.113 ( -9.110 -5.260 0.003) 10.520 3.616 ( -6.293 -3.633 -5.790) 9.291 3.918 ( 5.049 2.915 3.747) 6.930 5.405 ( -20.003 -11.549 1.886) 23.174 8.488 ( -11.606 -6.701 0.065) 13.402 8.721 ( -10.350 -5.975 6.856) 13.778 10.246 ( 0.149 0.086 0.092) 0.195 10.682 ( 26.303 15.186 -19.651) 36.175 11.225 ( 13.112 7.570 7.248) 16.786 14.939 ( 0.905 0.523 5.575) 5.672 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.000 18.372 15.455) 24.008 1.058 ( -0.000 26.298 15.901) 30.732 1.691 ( -0.000 16.014 37.060) 40.372 2.056 ( 0.000 3.221 -4.925) 5.885 2.165 ( 0.000 13.940 -4.871) 14.767 4.500 ( 0.000 -19.222 -3.550) 19.547 7.035 ( -0.000 5.670 2.783) 6.316 8.205 ( 0.000 73.299 -29.313) 78.943 10.592 ( 0.000 -13.060 -6.755) 14.703 10.752 ( 0.000 -3.758 -1.630) 4.096 14.036 ( -0.000 -14.809 4.942) 15.612 14.441 ( 0.000 10.696 -6.988) 12.776 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 5.288 21.021 11.741) 24.651 1.417 ( 5.953 13.165 21.177) 25.636 2.103 ( 4.114 6.840 -2.936) 8.505 2.147 ( 15.844 20.601 20.686) 33.217 2.427 ( 13.157 21.411 -5.169) 25.656 4.292 ( -4.623 -7.774 -6.669) 11.238 7.153 ( 4.606 8.544 2.679) 10.070 8.914 ( 18.388 22.602 -12.805) 31.826 10.330 ( -10.219 0.884 -20.234) 22.685 10.702 ( -1.420 -3.455 -2.613) 4.559 13.826 ( -6.748 -18.638 9.493) 21.978 14.562 ( 4.065 7.622 -11.401) 14.304 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 9.177 17.160 9.018) 21.448 1.666 ( 4.705 9.582 19.368) 22.115 2.235 ( 5.875 9.143 -4.734) 11.854 2.636 ( 14.999 13.084 8.948) 21.823 3.035 ( 26.764 27.832 -1.402) 38.638 4.166 ( -1.857 -1.635 -7.967) 8.342 7.370 ( 8.364 11.462 2.373) 14.387 8.951 ( -12.119 -13.315 5.311) 18.771 10.342 ( 9.116 9.711 -26.094) 29.297 10.631 ( -2.994 1.375 -7.029) 7.763 13.522 ( -10.906 -19.892 13.945) 26.629 14.613 ( -0.157 3.660 -13.623) 14.107 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 7.542 10.463 9.087) 15.777 1.912 ( 6.727 10.882 10.836) 16.766 2.461 ( 8.842 13.599 -3.192) 16.532 2.997 ( 12.264 8.618 4.280) 15.588 3.664 ( 17.860 14.935 -8.812) 24.894 4.225 ( 10.715 10.066 -0.323) 14.705 7.666 ( 10.769 13.951 1.834) 17.719 8.561 ( -16.177 -11.539 2.573) 20.037 10.424 ( 1.561 -3.990 -5.229) 6.760 10.628 ( 2.169 5.681 -20.161) 21.058 13.144 ( -15.783 -20.945 15.072) 30.248 14.572 ( -2.092 1.900 -12.094) 12.420 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 4.584 8.856 2.431) 10.264 2.172 ( 9.286 8.971 10.047) 16.360 2.758 ( 9.350 15.434 -1.407) 18.100 3.218 ( 5.984 3.228 -2.633) 7.292 3.869 ( 5.297 3.732 -7.475) 9.892 4.715 ( 22.840 18.027 3.617) 29.321 8.002 ( 10.889 14.979 1.046) 18.549 8.273 ( -8.093 -3.926 -0.258) 8.999 10.370 ( -1.987 -1.939 -0.646) 2.850 10.605 ( -0.414 -2.314 -18.390) 18.539 12.652 ( -22.578 -21.551 11.440) 33.243 14.541 ( 0.705 1.047 -6.794) 6.911 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 2.417 7.634 0.653) 8.034 2.451 ( 10.528 7.902 6.884) 14.855 3.045 ( 7.030 14.148 -0.786) 15.818 3.255 ( -0.135 0.078 -10.179) 10.180 3.969 ( 4.210 2.439 0.786) 4.928 5.248 ( 19.463 13.749 2.622) 23.973 8.201 ( 3.204 2.266 -1.410) 4.169 8.336 ( 7.903 15.631 -0.495) 17.523 10.331 ( -1.456 -0.108 0.288) 1.488 10.481 ( -3.016 -5.319 -13.504) 14.824 12.037 ( -28.196 -20.101 6.186) 35.176 14.580 ( 4.526 -0.255 -1.076) 4.659 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 0.691 6.843 -0.169) 6.880 2.717 ( 10.441 6.508 4.309) 13.036 3.148 ( -2.518 -2.479 -12.570) 13.057 3.291 ( 2.131 13.794 -1.354) 14.024 4.051 ( 2.411 0.608 4.542) 5.178 5.646 ( 13.762 8.447 1.979) 16.268 8.369 ( 11.804 6.837 -3.312) 14.038 8.591 ( 4.398 14.673 -1.590) 15.400 10.297 ( -0.497 -4.470 -3.970) 5.999 10.355 ( -3.891 -1.837 -2.340) 4.898 11.386 ( -28.345 -14.394 2.257) 31.871 14.668 ( 6.400 -1.901 2.654) 7.185 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -1.034 5.955 -0.573) 6.071 2.937 ( 4.225 1.303 0.728) 4.481 3.027 ( 0.611 0.740 -12.324) 12.361 3.430 ( -1.401 12.609 -0.282) 12.690 4.086 ( 0.413 -1.442 5.326) 5.534 5.889 ( 7.407 3.352 1.591) 8.284 8.688 ( 17.553 8.697 -6.717) 20.709 8.757 ( 0.143 12.634 -2.334) 12.849 10.164 ( -11.092 -5.894 1.040) 12.603 10.286 ( 1.588 -6.946 1.442) 7.270 10.902 ( -17.500 -0.496 -0.757) 17.524 14.762 ( 6.139 -3.394 4.577) 8.376 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -2.749 4.752 -0.700) 5.534 2.803 ( -7.155 -4.015 -8.778) 12.015 3.213 ( 10.961 5.650 -3.840) 12.915 3.483 ( -5.750 10.653 -0.108) 12.106 4.067 ( -1.858 -3.438 5.532) 6.773 5.969 ( 0.254 -1.389 1.447) 2.021 8.825 ( -3.330 8.663 -2.883) 9.719 9.043 ( 15.773 5.505 -10.466) 19.714 9.862 ( -13.485 -5.160 7.901) 16.459 10.291 ( 4.061 -4.247 1.183) 5.994 10.769 ( -4.499 7.960 -1.470) 9.261 14.832 ( 4.772 -4.327 5.453) 8.440 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -4.349 3.143 -0.572) 5.396 2.613 ( -8.067 -3.558 -6.308) 10.841 3.424 ( 1.945 5.179 -4.411) 7.076 3.455 ( -1.100 7.998 -2.701) 8.513 3.992 ( -4.043 -4.769 6.749) 9.200 5.878 ( -7.514 -5.474 1.569) 9.428 8.792 ( -6.780 3.260 -1.835) 7.743 9.093 ( -6.579 -6.603 -2.744) 9.716 9.889 ( 13.150 9.388 -1.830) 16.260 10.316 ( 0.136 0.845 1.220) 1.490 10.855 ( 5.551 7.548 -0.090) 9.370 14.875 ( 3.550 -4.373 5.629) 7.963 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -5.798 1.027 -0.090) 5.889 2.422 ( -9.061 -2.933 -2.897) 9.954 3.306 ( -13.376 5.238 -0.121) 14.366 3.592 ( 4.207 1.081 -10.441) 11.309 3.912 ( -1.530 -2.628 8.246) 8.789 5.617 ( -15.630 -8.754 1.843) 18.009 8.647 ( -10.697 -1.886 0.063) 10.862 8.852 ( -11.515 -6.652 3.209) 13.680 10.208 ( 7.655 1.859 -2.370) 8.227 10.416 ( 13.157 13.973 -10.848) 22.046 11.087 ( 12.540 6.402 4.160) 14.681 14.908 ( 3.170 -3.537 4.865) 6.799 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -0.000 19.258 10.982) 22.169 1.579 ( -0.000 15.859 18.992) 24.743 2.119 ( 0.000 6.741 -5.894) 8.954 2.297 ( -0.000 22.821 19.358) 29.925 2.558 ( 0.000 31.287 -3.329) 31.463 4.231 ( 0.000 -6.668 -8.184) 10.556 7.218 ( -0.000 11.279 2.483) 11.549 8.946 ( 0.000 13.911 -3.298) 14.296 10.400 ( 0.000 6.232 -27.665) 28.358 10.641 ( 0.000 -6.389 -1.523) 6.568 13.698 ( -0.000 -23.617 11.329) 26.193 14.581 ( 0.000 9.051 -11.674) 14.772 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 4.252 17.064 9.262) 19.876 1.784 ( 1.151 12.028 18.019) 21.695 2.224 ( 4.954 10.300 -5.500) 12.684 2.613 ( 7.612 16.973 8.856) 20.602 3.006 ( 12.560 35.311 -0.533) 37.482 4.149 ( -0.897 -1.367 -8.564) 8.719 7.391 ( 4.888 14.018 2.307) 15.024 8.970 ( -3.312 -10.431 6.327) 12.641 10.332 ( -3.912 9.786 -25.493) 27.585 10.614 ( 2.403 -1.937 -8.061) 8.632 13.460 ( -3.932 -25.428 14.045) 29.313 14.628 ( -0.268 6.757 -12.992) 14.646 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 4.771 11.453 8.760) 15.188 1.982 ( 3.082 12.049 12.306) 17.496 2.456 ( 8.543 15.960 -3.517) 18.441 2.919 ( 9.124 11.409 4.102) 15.174 3.542 ( 13.944 22.193 -6.450) 26.992 4.186 ( 5.509 10.487 -2.722) 12.154 7.665 ( 8.477 16.947 2.330) 19.092 8.701 ( -12.965 -13.511 3.889) 19.125 10.328 ( 2.408 1.125 -11.549) 11.851 10.605 ( 0.430 1.087 -14.957) 15.003 13.152 ( -7.862 -26.425 14.981) 31.377 14.612 ( -3.151 4.376 -12.579) 13.686 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 5.072 10.109 5.216) 12.455 2.183 ( 4.145 10.178 9.475) 14.510 2.778 ( 8.948 19.229 -1.503) 21.262 3.139 ( 6.475 4.492 -1.793) 8.082 3.799 ( 5.740 6.989 -8.180) 12.195 4.574 ( 17.334 21.762 2.938) 27.977 8.007 ( 9.469 18.880 2.350) 21.252 8.391 ( -10.903 -5.983 0.703) 12.457 10.344 ( 2.332 -1.376 -3.698) 4.584 10.540 ( -1.525 -3.154 -16.106) 16.483 12.757 ( -13.354 -26.543 12.516) 32.241 14.552 ( -3.127 2.197 -9.181) 9.944 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 2.171 10.319 1.423) 10.641 2.401 ( 7.477 8.325 8.619) 14.125 3.085 ( 5.577 14.624 -1.674) 15.741 3.226 ( 2.928 4.670 -7.777) 9.532 3.925 ( 4.627 4.600 -0.940) 6.592 5.086 ( 17.769 17.274 2.362) 24.894 8.209 ( -1.787 1.725 0.547) 2.543 8.396 ( 6.687 19.800 1.172) 20.932 10.359 ( -0.735 1.050 -0.485) 1.371 10.407 ( -1.013 -7.094 -14.411) 16.094 12.254 ( -19.829 -24.214 7.494) 32.181 14.515 ( 0.680 -0.821 -4.017) 4.156 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 0.045 10.134 0.522) 10.147 2.636 ( 8.592 6.801 5.911) 12.451 3.122 ( -1.289 -2.199 -11.072) 11.361 3.416 ( 2.854 19.222 -1.379) 19.481 4.029 ( 2.827 2.345 3.177) 4.856 5.502 ( 14.328 10.327 1.809) 17.755 8.275 ( 5.813 5.911 -0.347) 8.297 8.700 ( 4.012 20.554 0.743) 20.955 10.238 ( -1.965 -8.038 -9.081) 12.286 10.394 ( -0.993 2.525 -0.421) 2.746 11.684 ( -23.472 -17.899 2.607) 29.633 14.535 ( 5.144 -4.257 0.371) 6.687 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -1.992 9.650 -0.075) 9.853 2.854 ( 8.317 4.548 3.697) 10.174 3.017 ( -3.325 -1.992 -12.713) 13.290 3.617 ( -1.131 18.523 -0.136) 18.558 4.080 ( 0.446 0.032 4.211) 4.235 5.782 ( 9.839 3.901 1.576) 10.701 8.501 ( 12.168 8.167 -2.283) 14.831 8.920 ( -0.774 18.200 -0.065) 18.217 10.140 ( 2.241 -7.063 -5.447) 9.197 10.338 ( -8.752 -1.037 3.002) 9.311 11.192 ( -18.910 -5.418 -1.099) 19.701 14.598 ( 7.775 -6.991 2.985) 10.873 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -4.047 8.223 -0.455) 9.176 2.856 ( -5.618 -2.445 -7.632) 9.787 3.081 ( 9.277 5.018 -3.064) 10.983 3.734 ( -5.817 17.170 0.553) 18.137 4.071 ( -1.524 -2.425 4.201) 5.085 5.920 ( 4.456 -1.384 1.475) 4.893 8.782 ( 12.414 4.458 -6.248) 14.595 9.041 ( -3.109 15.508 0.320) 15.820 10.085 ( -12.815 -7.524 3.982) 15.384 10.161 ( 3.284 0.459 -0.248) 3.325 10.962 ( -9.360 5.630 -2.682) 11.248 14.671 ( 8.221 -8.428 4.148) 12.483 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -5.659 4.989 -0.623) 7.570 2.708 ( -7.630 0.215 -5.935) 9.669 3.280 ( 10.137 3.931 -5.614) 12.236 3.755 ( -11.170 16.002 0.753) 19.529 4.011 ( -2.563 -5.105 4.946) 7.556 5.913 ( -1.996 -5.194 1.482) 5.758 8.859 ( -0.493 -4.682 -4.326) 6.393 9.158 ( -2.357 11.366 -1.603) 11.718 9.888 ( -3.679 2.910 2.566) 5.347 10.276 ( 5.815 3.808 1.310) 7.073 10.908 ( -3.409 6.258 -2.431) 7.529 14.733 ( 7.427 -8.458 4.257) 12.034 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -6.478 0.590 -0.199) 6.508 2.568 ( -9.440 3.274 -2.901) 10.404 3.449 ( 7.834 2.197 -9.135) 12.233 3.670 ( -15.794 13.152 -0.407) 20.557 3.932 ( -2.038 -5.486 7.451) 9.475 5.760 ( -9.430 -7.362 1.595) 12.069 8.727 ( -4.966 -8.916 -0.118) 10.206 9.071 ( -14.679 4.173 0.268) 15.263 10.061 ( 12.503 9.838 -4.677) 16.583 10.400 ( 1.965 7.740 -0.952) 8.042 10.977 ( 6.764 4.238 0.600) 8.005 14.785 ( 6.532 -7.327 3.330) 10.365 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -0.000 13.626 7.356) 15.484 1.946 ( -0.000 11.196 16.685) 20.093 2.265 ( 0.000 12.359 -5.675) 13.600 2.750 ( -0.000 17.440 6.236) 18.521 3.258 ( 0.000 35.034 -1.656) 35.073 4.135 ( 0.000 3.624 -7.224) 8.082 7.498 ( -0.000 15.747 1.551) 15.823 8.915 ( -0.000 -12.017 7.058) 13.937 10.416 ( 0.000 9.842 -31.137) 32.656 10.496 ( 0.000 -7.198 -0.983) 7.265 13.272 ( -0.000 -27.884 15.330) 31.820 14.666 ( 0.000 7.533 -12.661) 14.733 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 3.406 9.604 5.211) 11.445 2.101 ( 0.770 10.307 13.685) 17.150 2.457 ( 7.692 16.006 -3.621) 18.124 2.948 ( 3.184 12.903 2.412) 13.507 3.587 ( 4.821 21.437 -6.799) 23.000 4.236 ( 3.350 17.421 -1.309) 17.788 7.716 ( 5.944 17.560 1.274) 18.582 8.753 ( -6.781 -12.301 3.314) 14.432 10.318 ( -3.615 0.718 -11.967) 12.522 10.512 ( 4.380 -2.668 -13.221) 14.181 13.012 ( -3.144 -29.335 15.429) 33.294 14.678 ( -2.512 6.342 -12.060) 13.856 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 5.255 8.322 3.858) 10.571 2.259 ( 2.148 9.278 10.422) 14.118 2.789 ( 11.379 18.541 -1.737) 21.823 3.094 ( 3.205 5.234 -3.009) 6.835 3.777 ( 3.683 9.834 -6.733) 12.474 4.584 ( 9.982 26.105 2.375) 28.049 8.040 ( 9.776 19.258 1.675) 21.662 8.509 ( -9.638 -6.491 -0.614) 11.636 10.277 ( 1.638 -0.557 -5.864) 6.114 10.472 ( 0.219 -5.492 -12.072) 13.264 12.682 ( -6.720 -30.040 13.413) 33.578 14.628 ( -5.267 4.209 -10.180) 12.210 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 5.864 9.117 2.210) 11.064 2.417 ( 3.277 7.858 8.859) 12.287 3.107 ( 2.349 5.744 -4.945) 7.935 3.195 ( 9.680 13.456 -4.294) 17.124 3.908 ( 3.618 7.185 -1.262) 8.143 5.022 ( 12.159 21.314 1.927) 24.614 8.284 ( -3.628 2.877 0.076) 4.631 8.471 ( 7.806 18.623 0.860) 20.211 10.291 ( 1.971 -4.780 -9.796) 11.077 10.373 ( -0.836 -1.852 -3.812) 4.320 12.278 ( -10.995 -28.579 9.453) 32.047 14.536 ( -5.069 1.023 -6.818) 8.557 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 2.247 10.432 1.138) 10.732 2.591 ( 6.514 6.041 7.123) 11.387 3.083 ( -0.640 -2.235 -9.871) 10.141 3.521 ( 7.160 18.935 -1.456) 20.295 4.028 ( 2.871 5.483 2.262) 6.590 5.396 ( 11.194 12.851 1.315) 17.093 8.282 ( 0.681 6.023 0.351) 6.071 8.823 ( 7.055 21.121 1.820) 22.342 10.153 ( -2.162 -9.940 -10.162) 14.378 10.429 ( 2.013 5.649 -0.082) 5.997 11.821 ( -14.830 -23.177 4.620) 27.900 14.453 ( -1.259 -3.267 -2.888) 4.539 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -0.647 10.444 0.955) 10.508 2.781 ( 7.058 4.566 4.441) 9.507 3.007 ( -1.807 -1.834 -10.646) 10.953 3.770 ( 2.923 14.050 0.241) 14.353 4.125 ( 0.047 7.836 2.544) 8.239 5.657 ( 9.266 4.276 1.141) 10.268 8.426 ( 6.600 9.222 0.660) 11.360 9.098 ( 1.774 17.735 1.588) 17.894 10.012 ( 0.535 -9.325 -7.126) 11.748 10.489 ( -3.962 6.734 1.671) 7.990 11.392 ( -14.322 -12.239 -0.171) 18.840 14.419 ( 4.009 -7.549 0.347) 8.555 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -3.816 8.600 -0.456) 9.420 2.886 ( -0.644 -0.853 -1.806) 2.098 2.992 ( 4.896 5.180 -5.470) 8.985 3.895 ( 1.254 3.741 3.269) 5.124 4.195 ( -5.850 14.878 0.481) 15.994 5.804 ( 6.894 -2.681 1.221) 7.498 8.651 ( 8.457 7.785 -1.100) 11.547 9.235 ( -2.607 11.953 1.761) 12.360 9.958 ( 4.740 -8.609 -4.348) 10.746 10.412 ( -13.039 8.033 4.430) 15.942 11.141 ( -8.367 0.654 -3.773) 9.201 14.440 ( 8.077 -10.301 2.192) 13.272 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -6.010 2.569 -1.796) 6.778 2.843 ( -5.605 6.067 -2.990) 8.784 3.143 ( 8.146 3.613 -4.513) 9.989 3.923 ( 1.057 -3.940 5.701) 7.010 4.204 ( -12.655 18.501 -1.001) 22.437 5.848 ( 3.309 -6.843 1.304) 7.712 8.783 ( 2.203 -1.158 -2.624) 3.617 9.313 ( -0.957 10.833 2.244) 11.105 9.918 ( 1.039 -7.718 -2.701) 8.243 10.361 ( -6.091 16.114 4.602) 17.831 11.037 ( -6.380 3.365 -4.339) 8.417 14.497 ( 9.781 -10.822 2.541) 14.807 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -6.603 0.265 -0.496) 6.627 2.780 ( -9.306 7.656 -1.944) 12.206 3.298 ( 8.619 2.113 -7.638) 11.708 3.903 ( 0.692 -6.476 7.008) 9.567 4.113 ( -18.020 16.555 -0.917) 24.487 5.790 ( -2.127 -7.814 1.310) 8.204 8.705 ( -3.836 -7.703 -0.428) 8.616 9.344 ( -9.111 5.925 1.243) 10.939 9.943 ( 8.726 3.362 -4.390) 10.330 10.501 ( -0.742 16.589 3.350) 16.940 10.956 ( -2.245 -0.146 -2.784) 3.579 14.569 ( 9.638 -9.522 1.534) 13.635 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -0.000 7.206 2.729) 7.706 2.229 ( -0.000 8.652 12.824) 15.469 2.532 ( 0.000 16.463 -2.874) 16.712 3.043 ( 0.000 9.714 -1.402) 9.815 3.706 ( 0.000 14.155 -7.267) 15.911 4.427 ( -0.000 27.232 1.595) 27.278 7.833 ( 0.000 17.391 -0.038) 17.391 8.707 ( 0.000 -9.780 -0.321) 9.785 10.348 ( 0.000 -0.624 -19.684) 19.694 10.365 ( -0.000 -5.485 0.068) 5.485 12.789 ( -0.000 -31.017 14.982) 34.446 14.734 ( 0.000 6.901 -11.031) 13.012 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 4.118 6.168 1.533) 7.574 2.349 ( 0.812 7.458 10.955) 13.278 2.768 ( 9.198 16.467 -1.677) 18.936 3.103 ( 0.277 3.871 -6.128) 7.254 3.821 ( 1.366 10.739 -4.142) 11.591 4.751 ( 3.781 29.222 2.215) 29.549 8.068 ( 7.608 17.393 -0.339) 18.987 8.572 ( -5.261 -5.426 -4.568) 8.831 10.248 ( -1.272 -2.102 -6.998) 7.416 10.360 ( 2.556 -5.407 -5.413) 8.067 12.497 ( -2.897 -32.058 13.009) 34.718 14.733 ( -4.102 5.927 -9.657) 12.050 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 7.211 6.500 1.242) 9.787 2.472 ( 2.015 6.243 9.494) 11.540 3.095 ( 0.104 -0.295 -9.019) 9.025 3.130 ( 13.534 16.636 -1.121) 21.476 3.936 ( 1.810 8.518 -0.625) 8.730 5.105 ( 5.581 24.424 1.579) 25.103 8.358 ( 1.545 7.530 -1.967) 7.935 8.493 ( 5.687 10.918 -3.177) 12.713 10.195 ( 0.062 -5.790 -6.879) 8.992 10.339 ( 1.828 -0.805 -1.196) 2.328 12.148 ( -5.440 -31.424 10.013) 33.427 14.652 ( -7.697 3.698 -7.782) 11.553 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 8.282 7.369 0.954) 11.127 2.595 ( 2.780 5.066 8.313) 10.124 3.047 ( -0.848 -1.704 -9.447) 9.637 3.523 ( 12.700 16.521 -1.338) 20.881 4.043 ( 2.596 5.869 1.589) 6.612 5.404 ( 5.099 16.458 0.916) 17.254 8.351 ( -1.557 5.897 -2.440) 6.569 8.858 ( 12.419 18.078 0.285) 21.935 10.073 ( -2.751 -8.869 -6.548) 11.362 10.422 ( 4.956 5.055 0.042) 7.079 11.772 ( -7.341 -27.566 6.630) 29.287 14.510 ( -8.355 0.284 -5.328) 9.913 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 3.163 4.095 6.748) 8.503 2.726 ( 6.648 8.208 0.334) 10.568 2.983 ( -1.175 -1.610 -8.803) 9.026 3.815 ( 4.720 10.172 -0.584) 11.229 4.185 ( 5.843 9.943 1.869) 11.683 5.596 ( 3.702 7.001 0.574) 7.941 8.442 ( 3.389 9.712 0.100) 10.287 9.193 ( 6.835 14.739 0.855) 16.269 9.916 ( -2.657 -8.937 -5.361) 10.755 10.576 ( 4.008 8.770 0.190) 9.644 11.426 ( -7.336 -18.874 2.978) 20.467 14.362 ( -5.051 -4.042 -2.546) 6.952 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 0.345 5.851 2.138) 6.239 2.849 ( 1.345 0.238 0.259) 1.390 2.974 ( 3.200 5.665 -5.983) 8.839 3.887 ( 0.096 -0.885 1.875) 2.076 4.422 ( 2.550 19.326 0.179) 19.494 5.677 ( 3.579 -2.661 0.635) 4.505 8.627 ( 5.489 10.086 1.050) 11.531 9.363 ( -0.140 8.069 1.325) 8.179 9.800 ( 1.355 -8.626 -4.373) 9.765 10.682 ( -4.425 11.005 2.874) 12.205 11.211 ( -3.459 -5.632 -1.938) 6.888 14.262 ( 1.071 -8.038 -0.141) 8.110 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -5.544 1.321 -2.662) 6.290 2.929 ( 3.058 2.760 2.168) 4.655 3.090 ( 2.108 8.902 -5.126) 10.487 3.857 ( 0.647 -6.809 3.835) 7.841 4.593 ( -7.510 22.493 -0.686) 23.723 5.688 ( 5.195 -9.734 0.912) 11.071 8.771 ( 1.060 4.126 0.428) 4.282 9.411 ( -0.492 6.040 2.416) 6.524 9.759 ( 4.643 -8.514 -4.220) 10.576 10.691 ( -8.806 14.806 5.447) 18.067 11.139 ( -3.919 1.656 -5.198) 6.717 14.245 ( 7.050 -9.806 0.915) 12.112 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -6.343 1.392 -0.333) 6.503 2.976 ( -3.503 5.267 -0.123) 6.327 3.186 ( 3.637 5.447 -6.830) 9.464 3.820 ( 2.399 -8.366 5.490) 10.290 4.583 ( -16.974 17.973 -0.685) 24.731 5.682 ( 5.038 -9.942 1.004) 11.191 8.732 ( -5.297 -2.925 1.173) 6.164 9.481 ( -1.367 4.368 1.583) 4.843 9.783 ( 8.490 -2.651 -4.528) 9.981 10.749 ( -4.263 16.871 5.825) 18.351 11.027 ( -8.357 -0.700 -5.146) 9.840 14.305 ( 10.190 -8.739 0.177) 13.425 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -0.000 4.956 0.492) 4.980 2.440 ( -0.000 5.736 10.251) 11.747 2.833 ( 0.000 14.926 -1.220) 14.976 3.102 ( 0.000 0.923 -9.086) 9.133 3.908 ( 0.000 10.575 -1.353) 10.661 5.013 ( -0.000 28.380 1.719) 28.432 8.152 ( 0.000 15.156 -1.639) 15.244 8.551 ( 0.000 -3.153 -9.149) 9.677 10.201 ( 0.000 -5.012 -6.347) 8.087 10.298 ( -0.000 -1.464 1.205) 1.897 12.237 ( -0.000 -33.267 11.058) 35.057 14.805 ( 0.000 6.403 -8.521) 10.659 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 5.137 4.653 0.284) 6.937 2.526 ( 1.023 4.306 9.663) 10.628 3.045 ( 5.747 8.003 -4.316) 10.757 3.083 ( 3.958 4.872 -6.452) 9.002 4.005 ( 0.194 8.647 0.227) 8.652 5.293 ( 1.633 24.192 1.010) 24.268 8.361 ( 7.366 12.145 -2.170) 14.369 8.491 ( 0.013 2.315 -9.809) 10.078 10.136 ( -0.854 -4.911 -1.616) 5.240 10.310 ( 1.339 0.960 1.108) 1.986 11.922 ( -2.018 -32.938 8.427) 34.059 14.793 ( -5.576 5.487 -7.309) 10.706 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 8.920 4.833 0.325) 10.150 2.619 ( 2.230 2.955 9.443) 10.143 3.020 ( -0.671 -0.789 -9.168) 9.227 3.416 ( 15.711 13.056 -0.902) 20.448 4.077 ( 0.069 5.290 0.836) 5.356 5.530 ( 1.155 18.028 0.459) 18.071 8.418 ( -1.266 5.361 -6.574) 8.576 8.758 ( 16.264 13.091 -2.150) 20.989 10.048 ( -3.669 -5.021 -0.512) 6.240 10.379 ( 4.231 3.022 0.833) 5.266 11.593 ( -2.704 -29.521 6.155) 30.277 14.680 ( -10.340 3.493 -5.963) 12.436 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 9.267 3.987 0.912) 10.130 2.721 ( 4.126 2.857 7.896) 9.356 2.973 ( -1.427 0.165 -7.670) 7.803 3.793 ( 11.660 11.622 -1.450) 16.527 4.143 ( 4.936 3.288 1.400) 6.094 5.672 ( -1.408 10.593 0.100) 10.687 8.481 ( 2.417 8.740 -2.878) 9.514 9.144 ( 13.881 11.113 -1.477) 17.843 9.915 ( -6.119 -4.447 -0.436) 7.577 10.519 ( 8.695 3.404 -0.600) 9.357 11.314 ( -2.051 -21.343 4.906) 21.995 14.490 ( -12.146 0.707 -4.225) 12.880 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 4.735 -0.794 4.571) 6.629 2.901 ( 5.708 7.670 1.812) 9.731 2.931 ( 0.222 1.070 -5.647) 5.752 3.911 ( -2.407 1.221 -0.751) 2.802 4.417 ( 15.841 11.358 0.711) 19.505 5.684 ( -4.525 2.129 -0.057) 5.001 8.639 ( 5.188 9.605 -0.144) 10.917 9.388 ( 5.536 5.327 -1.263) 7.785 9.761 ( -6.156 -4.613 -0.316) 7.699 10.727 ( 9.977 5.269 -1.927) 11.447 11.156 ( 0.070 -9.570 3.901) 10.334 14.280 ( -9.642 -2.403 -2.106) 10.157 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 1.952 -1.148 0.754) 2.387 2.887 ( -1.245 2.154 -0.773) 2.605 3.120 ( 6.388 8.957 -0.612) 11.019 3.827 ( -3.957 -5.170 0.428) 6.525 4.795 ( 10.180 17.198 0.005) 19.985 5.571 ( -4.756 -7.786 0.113) 9.125 8.795 ( 2.806 5.353 0.460) 6.061 9.468 ( 1.031 3.887 0.266) 4.030 9.635 ( -1.821 -5.898 -1.200) 6.288 10.884 ( 1.139 6.057 0.778) 6.212 11.151 ( 2.747 0.411 -0.302) 2.794 14.130 ( -2.953 -4.530 -0.336) 5.418 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -5.235 2.737 0.101) 5.908 2.940 ( 5.170 -1.645 -0.525) 5.451 3.273 ( -0.361 11.215 -2.979) 11.609 3.714 ( -0.140 -9.568 2.852) 9.985 5.009 ( -10.440 19.015 -0.586) 21.701 5.446 ( 7.334 -14.554 0.682) 16.312 8.807 ( -3.758 -0.730 1.232) 4.022 9.524 ( -1.190 0.962 1.275) 1.992 9.616 ( 7.082 0.387 -2.996) 7.699 10.906 ( -2.673 0.886 2.360) 3.675 11.177 ( -4.178 5.977 -1.994) 7.560 14.103 ( 4.706 -4.036 -0.161) 6.202 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 0.000 3.725 0.049) 3.725 2.580 ( -0.000 2.550 9.629) 9.961 3.034 ( 0.000 -0.794 -9.503) 9.536 3.087 ( 0.000 11.351 -0.535) 11.364 4.086 ( -0.000 7.295 0.456) 7.309 5.507 ( 0.000 20.981 0.285) 20.983 8.393 ( 0.000 10.482 -1.917) 10.656 8.476 ( 0.000 2.271 -11.870) 12.085 10.113 ( -0.000 -2.488 2.956) 3.864 10.320 ( -0.000 2.507 1.336) 2.841 11.634 ( -0.000 -33.017 5.784) 33.520 14.879 ( 0.000 5.737 -6.499) 8.669 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 5.827 3.321 0.141) 6.709 2.637 ( 1.241 0.930 10.020) 10.139 3.000 ( -0.381 0.372 -8.036) 8.053 3.285 ( 11.037 9.556 -0.469) 14.606 4.140 ( -0.975 4.705 0.057) 4.805 5.693 ( 0.070 16.223 -0.202) 16.224 8.463 ( -0.569 5.805 -7.824) 9.759 8.598 ( 12.374 8.432 -2.522) 15.185 10.086 ( -2.923 -0.712 4.001) 5.006 10.360 ( 1.124 2.417 0.709) 2.758 11.335 ( 0.269 -29.832 3.657) 30.057 14.856 ( -6.741 4.790 -5.718) 10.054 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 9.737 2.902 0.082) 10.161 2.700 ( 2.567 -0.764 9.780) 10.140 2.983 ( -0.684 2.377 -5.940) 6.435 3.625 ( 17.719 8.669 -0.690) 19.738 4.145 ( -1.620 1.437 -0.352) 2.194 5.812 ( -1.892 10.706 -0.444) 10.881 8.519 ( 1.346 8.361 -3.726) 9.252 8.946 ( 18.351 7.538 -1.885) 19.929 10.020 ( -6.703 1.262 3.243) 7.553 10.396 ( 4.048 -3.479 -1.058) 5.442 11.119 ( 2.657 -19.725 3.472) 20.203 14.715 ( -12.330 3.266 -4.711) 13.597 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 6.818 -0.448 1.807) 7.067 2.797 ( 8.144 0.667 5.288) 9.733 2.984 ( -1.652 4.439 -2.545) 5.377 3.949 ( 4.456 5.302 -2.661) 7.419 4.192 ( 13.504 1.110 0.964) 13.584 5.822 ( -6.043 4.902 -0.626) 7.806 8.644 ( 3.808 8.373 -0.420) 9.208 9.275 ( 12.345 4.211 -2.451) 13.272 9.895 ( -10.198 0.709 2.542) 10.534 10.482 ( 14.335 -5.667 -3.210) 15.745 11.060 ( 3.571 -7.371 4.709) 9.447 14.491 ( -14.862 1.743 -3.166) 15.295 ======================= Grid point 1039 (369/489) ======================= q-point: ( 0.76 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 4.335 -3.183 2.308) 5.853 2.949 ( 1.162 2.730 -2.217) 3.703 3.048 ( 7.305 5.493 4.125) 10.028 3.888 ( -6.893 -1.901 -2.896) 7.715 4.587 ( 23.406 4.608 0.705) 23.866 5.696 ( -11.192 -0.208 -0.698) 11.216 8.774 ( 3.796 3.015 -0.256) 4.854 9.433 ( 5.156 2.615 -2.403) 6.260 9.726 ( -9.773 -0.605 3.048) 10.255 10.739 ( 17.338 0.283 -5.072) 18.067 11.090 ( 3.552 -2.804 5.585) 7.188 14.255 ( -12.817 0.998 -1.224) 12.914 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -0.000 2.469 0.299) 2.487 2.657 ( -0.000 -0.949 10.431) 10.474 2.994 ( 0.000 2.141 -6.011) 6.381 3.266 ( 0.000 7.080 -0.168) 7.082 4.188 ( 0.000 3.128 -0.870) 3.247 5.833 ( 0.000 12.499 -0.682) 12.518 8.513 ( 0.000 7.424 -5.734) 9.381 8.548 ( 0.000 6.357 -0.349) 6.366 10.130 ( -0.000 0.896 4.556) 4.643 10.387 ( 0.000 3.183 -0.024) 3.183 11.046 ( -0.000 -27.984 1.147) 28.007 14.945 ( 0.000 4.471 -5.391) 7.004 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 6.073 1.810 0.368) 6.348 2.680 ( 1.165 -2.857 9.946) 10.414 3.010 ( -0.206 4.630 -3.132) 5.594 3.428 ( 11.759 5.072 -0.116) 12.807 4.188 ( -1.856 0.914 -1.829) 2.761 5.926 ( -0.850 7.995 -0.879) 8.088 8.589 ( 0.085 9.882 -0.458) 9.893 8.721 ( 13.211 5.075 0.153) 14.153 10.135 ( -1.701 1.904 2.772) 3.768 10.350 ( -5.247 -4.689 -2.093) 7.341 10.868 ( 6.349 -16.446 1.208) 17.670 14.906 ( -7.255 3.464 -4.925) 9.428 ======================= Grid point 1055 (372/489) ======================= q-point: ( 0.71 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 9.186 0.529 0.109) 9.202 2.706 ( 3.281 -3.761 7.815) 9.273 3.054 ( -0.805 6.489 0.259) 6.544 3.743 ( 19.499 3.676 -0.475) 19.848 4.133 ( -3.192 -1.668 -2.388) 4.321 5.944 ( -3.506 3.272 -1.055) 4.910 8.693 ( 0.401 8.739 3.101) 9.281 9.049 ( 17.708 4.419 -0.572) 18.260 10.102 ( -11.410 0.997 1.501) 11.551 10.202 ( 7.620 -8.729 -3.834) 12.205 10.912 ( 7.868 -4.848 2.574) 9.594 14.747 ( -12.896 2.625 -3.927) 13.734 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 4.556 -3.676 1.535) 6.052 2.816 ( 10.544 -1.154 2.800) 10.970 3.106 ( -1.607 7.217 3.597) 8.223 3.971 ( -4.016 -0.159 -5.004) 6.418 4.194 ( 22.333 -1.918 1.207) 22.447 5.859 ( -7.693 -0.491 -1.157) 7.795 8.761 ( -0.132 1.521 2.188) 2.668 9.332 ( 10.533 3.916 -1.801) 11.381 9.898 ( -9.191 -2.567 1.871) 9.724 10.398 ( 18.159 2.334 -3.602) 18.659 10.999 ( 5.167 -3.457 3.802) 7.287 14.519 ( -15.187 2.720 -2.216) 15.587 ======================= Grid point 1071 (374/489) ======================= q-point: ( 0.65 0.65 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -0.000 0.991 0.668) 1.195 2.664 ( -0.000 -4.420 9.222) 10.227 3.064 ( -0.000 6.886 0.323) 6.893 3.360 ( 0.000 2.526 0.047) 2.526 4.201 ( 0.000 -0.531 -3.007) 3.053 5.990 ( 0.000 4.053 -1.063) 4.190 8.648 ( -0.000 3.468 1.880) 3.945 8.706 ( -0.000 12.223 5.235) 13.297 10.113 ( 0.000 -6.905 -3.083) 7.562 10.420 ( 0.000 0.365 -1.903) 1.937 10.652 ( -0.000 -8.771 1.451) 8.890 14.983 ( 0.000 2.585 -5.043) 5.667 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 5.836 0.029 0.548) 5.862 2.649 ( 1.077 -5.534 7.559) 9.430 3.144 ( -0.446 8.493 3.480) 9.189 3.481 ( 12.232 0.349 0.098) 12.237 4.157 ( -2.314 -2.291 -4.043) 5.192 5.995 ( -1.292 -0.379 -1.261) 1.845 8.768 ( 6.201 2.485 3.404) 7.497 8.867 ( 4.833 10.944 7.947) 14.362 10.007 ( 1.005 -11.958 -7.660) 14.236 10.307 ( -8.319 2.863 -0.351) 8.805 10.741 ( 8.927 0.447 1.527) 9.067 14.928 ( -6.992 1.797 -4.687) 8.608 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 6.843 -2.370 0.196) 7.244 2.657 ( 5.288 -5.140 5.218) 9.034 3.227 ( -1.574 8.917 5.811) 10.759 3.759 ( 20.480 -1.841 -0.221) 20.563 4.056 ( -4.199 -3.878 -4.741) 7.426 5.927 ( -3.551 -4.267 -1.452) 5.738 8.817 ( -3.126 -0.740 4.888) 5.849 9.140 ( 14.362 3.066 2.405) 14.881 9.916 ( 1.136 -4.381 -3.617) 5.793 10.286 ( 1.265 7.399 -0.928) 7.564 10.889 ( 6.300 0.701 1.872) 6.609 14.769 ( -11.863 1.935 -3.513) 12.522 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -0.000 -0.768 0.811) 1.117 2.603 ( -0.000 -6.579 6.575) 9.302 3.254 ( -0.000 9.879 6.291) 11.712 3.365 ( -0.000 -2.087 0.147) 2.092 4.133 ( 0.000 -3.779 -5.224) 6.448 5.976 ( 0.000 -4.825 -1.448) 5.038 8.701 ( -0.000 0.111 3.098) 3.100 9.002 ( -0.000 8.518 13.523) 15.982 9.880 ( 0.000 -5.664 -8.808) 10.472 10.376 ( 0.000 -3.048 -2.922) 4.222 10.711 ( -0.000 9.625 1.487) 9.739 14.985 ( 0.000 0.834 -5.103) 5.170 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 5.093 -2.049 0.452) 5.508 2.561 ( 1.291 -7.341 5.091) 9.026 3.363 ( -0.843 9.086 7.888) 12.062 3.445 ( 12.014 -3.542 0.501) 12.535 4.053 ( -2.204 -4.959 -6.356) 8.357 5.893 ( -1.018 -9.128 -1.669) 9.335 8.773 ( 6.564 -3.513 2.393) 7.820 9.046 ( -0.925 -3.381 7.415) 8.202 9.889 ( 1.591 9.042 -1.753) 9.347 10.329 ( -0.185 -0.236 -1.655) 1.682 10.855 ( 3.226 9.924 -0.004) 10.435 14.923 ( -6.056 0.714 -4.725) 7.714 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -0.000 -2.836 0.585) 2.896 2.488 ( -0.000 -8.508 4.147) 9.465 3.281 ( -0.000 -6.551 0.133) 6.553 3.500 ( -0.000 9.203 9.991) 13.584 3.996 ( 0.000 -5.694 -7.632) 9.522 5.781 ( 0.000 -14.048 -1.879) 14.174 8.669 ( -0.000 -5.716 2.220) 6.132 9.002 ( -0.000 -12.026 0.792) 12.052 10.051 ( -0.000 22.569 8.295) 24.046 10.289 ( 0.000 -3.427 -2.131) 4.035 10.956 ( 0.000 14.613 -2.311) 14.794 14.961 ( 0.000 0.203 -5.308) 5.312 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -0.000 0.000 19.384) 19.384 0.785 ( -0.000 0.000 19.384) 19.384 1.686 ( -0.000 0.000 43.441) 43.441 2.009 ( 0.000 -0.000 -5.168) 5.168 2.009 ( 0.000 -0.000 -5.168) 5.168 4.859 ( 0.000 -0.000 -16.840) 16.840 6.989 ( -0.000 0.000 2.965) 2.965 6.989 ( -0.000 0.000 2.965) 2.965 10.787 ( 0.000 -0.000 -1.643) 1.643 10.787 ( 0.000 -0.000 -1.643) 1.643 14.169 ( -0.000 0.000 1.456) 1.456 14.324 ( 0.000 -0.000 -0.841) 0.841 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 11.683 6.745 16.091) 20.998 1.214 ( 20.595 11.890 17.292) 29.403 1.930 ( 12.657 7.308 34.832) 37.774 2.022 ( 2.690 1.553 -5.348) 6.185 2.142 ( 12.476 7.203 -5.013) 15.253 4.466 ( -16.103 -9.297 -7.994) 20.240 7.052 ( 4.674 2.699 2.865) 6.110 8.072 ( 64.752 37.385 -22.305) 78.025 10.494 ( -21.636 -12.491 -3.645) 25.247 10.753 ( -2.730 -1.576 -1.643) 3.554 14.081 ( -8.813 -5.088 4.392) 11.083 14.411 ( 7.289 4.209 -6.140) 10.419 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 16.261 9.388 11.515) 22.026 1.593 ( 8.522 4.920 22.039) 24.136 2.100 ( 5.759 3.325 -5.426) 8.583 2.437 ( 17.925 10.349 14.675) 25.372 2.571 ( 30.462 17.587 -1.264) 35.197 4.198 ( -6.329 -3.654 -9.304) 11.832 7.215 ( 8.917 5.148 2.495) 10.595 9.043 ( 15.080 8.706 -3.717) 17.805 10.083 ( -0.706 -0.408 -23.339) 23.353 10.660 ( -4.814 -2.780 -1.596) 5.784 13.837 ( -14.124 -8.154 10.167) 19.218 14.516 ( 3.563 2.057 -12.011) 12.696 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 13.700 7.910 7.906) 17.685 1.821 ( 7.333 4.234 18.580) 20.419 2.260 ( 9.977 5.760 -4.691) 12.439 2.839 ( 15.404 8.893 6.095) 18.802 3.306 ( 30.364 17.531 -3.157) 35.203 4.116 ( 2.590 1.495 -6.711) 7.348 7.464 ( 12.385 7.151 1.921) 14.430 8.821 ( -21.264 -12.277 6.103) 25.301 10.332 ( 17.973 10.377 -27.284) 34.280 10.537 ( -5.439 -3.140 -1.429) 6.441 13.505 ( -18.797 -10.852 13.338) 25.476 14.511 ( 0.239 0.138 -12.797) 12.800 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 8.598 4.964 3.906) 10.669 2.060 ( 9.638 5.564 13.353) 17.382 2.521 ( 13.559 7.828 -2.434) 15.844 3.135 ( 8.821 5.093 0.986) 10.234 3.745 ( 10.577 6.107 -10.377) 16.026 4.409 ( 23.296 13.450 2.893) 27.055 7.774 ( 14.240 8.221 1.151) 16.483 8.406 ( -14.798 -8.544 2.696) 17.299 10.419 ( -4.377 -2.527 -1.014) 5.155 10.529 ( 5.705 3.294 -20.195) 21.242 13.048 ( -25.210 -14.555 10.853) 31.067 14.494 ( 1.717 0.991 -7.806) 8.054 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 5.750 3.319 1.252) 6.756 2.331 ( 11.058 6.384 9.006) 15.625 2.823 ( 12.953 7.478 -0.893) 14.983 3.228 ( 0.866 0.500 -7.755) 7.819 3.904 ( 6.750 3.897 -2.477) 8.178 4.982 ( 23.939 13.821 2.962) 27.801 8.096 ( 13.699 7.909 0.112) 15.819 8.204 ( -3.329 -1.922 0.775) 3.922 10.343 ( -2.014 -1.163 -0.203) 2.334 10.503 ( -2.170 -1.253 -15.390) 15.592 12.435 ( -30.722 -17.737 5.762) 35.940 14.551 ( 4.310 2.489 -1.225) 5.126 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 4.090 2.362 0.006) 4.723 2.603 ( 10.919 6.304 5.439) 13.731 3.083 ( 9.992 5.769 -0.360) 11.544 3.164 ( -3.159 -1.824 -12.492) 13.014 4.032 ( 4.227 2.440 2.981) 5.719 5.465 ( 17.842 10.301 2.245) 20.725 8.253 ( 7.270 4.197 -0.996) 8.454 8.377 ( 10.951 6.322 -1.170) 12.699 10.328 ( 0.397 0.229 0.983) 1.085 10.382 ( -4.400 -2.540 -10.682) 11.828 11.728 ( -31.963 -18.454 2.272) 36.978 14.665 ( 5.143 2.969 3.070) 6.685 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 2.574 1.486 -0.584) 3.029 2.854 ( 10.186 5.881 2.460) 12.016 3.027 ( -5.162 -2.981 -13.540) 14.795 3.267 ( 6.233 3.599 -0.198) 7.200 4.108 ( 1.399 0.808 4.766) 5.032 5.797 ( 10.920 6.305 1.754) 12.731 8.499 ( 14.486 8.364 -4.201) 17.247 8.578 ( 7.308 4.219 -2.372) 8.765 10.250 ( -5.698 -3.290 -4.490) 7.965 10.354 ( 1.132 0.654 2.185) 2.547 11.060 ( -25.636 -14.801 0.600) 29.609 14.787 ( 4.242 2.449 5.090) 7.064 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 0.975 0.563 -0.829) 1.399 2.852 ( -6.591 -3.805 -10.476) 12.949 3.088 ( 10.308 5.952 -2.428) 12.148 3.362 ( 2.227 1.286 -0.144) 2.575 4.124 ( -1.285 -0.742 5.217) 5.424 5.966 ( 3.524 2.034 1.471) 4.326 8.695 ( 3.779 2.182 -3.070) 5.336 8.848 ( 17.297 9.987 -9.773) 22.236 10.034 ( -14.032 -8.102 5.095) 16.985 10.374 ( -0.361 -0.209 2.927) 2.956 10.685 ( -5.797 -3.347 -1.860) 6.947 14.880 ( 2.472 1.427 5.844) 6.504 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -0.709 -0.409 -0.828) 1.164 2.669 ( -7.055 -4.073 -7.861) 11.321 3.310 ( 10.258 5.922 -5.877) 13.223 3.366 ( -1.800 -1.039 -0.123) 2.083 4.082 ( -3.883 -2.242 5.974) 7.470 5.962 ( -4.298 -2.481 1.529) 5.193 8.729 ( 0.024 0.014 -3.039) 3.039 9.124 ( 5.901 3.407 -12.787) 14.489 9.804 ( -2.073 -1.197 7.636) 8.002 10.349 ( -2.558 -1.477 2.934) 4.163 10.722 ( 7.294 4.211 -0.922) 8.473 14.934 ( 0.859 0.496 5.928) 6.010 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.000 16.109 14.757) 21.846 1.201 ( -0.000 26.153 15.692) 30.500 2.006 ( 0.000 3.118 -6.133) 6.880 2.026 ( -0.000 10.641 35.119) 36.695 2.118 ( 0.000 13.387 -4.191) 14.028 4.438 ( 0.000 -17.945 -9.854) 20.472 7.061 ( -0.000 5.559 2.838) 6.242 7.994 ( 0.000 69.919 -17.830) 72.157 10.540 ( 0.000 -19.053 -4.987) 19.695 10.737 ( 0.000 -3.739 -1.590) 4.063 14.079 ( -0.000 -11.805 4.555) 12.653 14.386 ( 0.000 7.018 -5.326) 8.810 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 4.549 19.295 12.271) 23.315 1.598 ( 8.222 13.929 18.625) 24.668 2.054 ( 3.251 5.398 -6.182) 8.827 2.348 ( 10.192 12.906 10.195) 19.349 2.391 ( 15.150 24.924 8.573) 30.401 4.215 ( -4.869 -8.114 -10.338) 14.015 7.177 ( 4.553 8.436 2.605) 9.934 8.807 ( 24.339 34.964 -10.591) 43.898 10.173 ( -15.101 -10.274 -14.581) 23.371 10.681 ( -1.640 -4.287 -1.960) 4.991 13.909 ( -5.559 -15.976 8.728) 19.035 14.465 ( 2.643 5.682 -10.002) 11.803 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 8.154 16.198 9.555) 20.497 1.842 ( 3.909 7.333 18.791) 20.546 2.189 ( 6.366 9.581 -5.521) 12.759 2.705 ( 13.670 11.896 5.660) 18.985 3.032 ( 24.813 25.877 1.314) 35.875 4.087 ( -0.730 -0.430 -9.329) 9.368 7.391 ( 8.174 11.459 2.294) 14.262 9.011 ( -11.956 -13.242 7.994) 19.550 10.093 ( 11.283 14.832 -27.332) 33.081 10.591 ( -3.756 -2.697 -2.994) 5.508 13.641 ( -10.027 -18.492 12.211) 24.323 14.493 ( -0.424 3.426 -12.641) 13.104 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 5.898 10.766 5.669) 13.521 2.040 ( 5.481 7.460 14.813) 17.468 2.432 ( 9.613 14.512 -3.145) 17.689 3.030 ( 10.698 6.992 2.710) 13.064 3.583 ( 14.856 12.701 -8.852) 21.457 4.223 ( 14.616 13.289 -0.267) 19.756 7.683 ( 10.382 14.075 1.909) 17.594 8.594 ( -17.504 -13.040 4.602) 22.307 10.333 ( 9.219 2.635 -14.885) 17.707 10.501 ( -3.231 0.938 -7.503) 8.223 13.264 ( -16.522 -20.824 11.122) 28.815 14.472 ( -0.440 2.629 -9.682) 10.042 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 3.554 8.287 2.205) 9.283 2.268 ( 7.936 7.726 10.947) 15.573 2.747 ( 9.716 15.897 -1.017) 18.659 3.181 ( 3.117 0.922 -5.354) 6.263 3.811 ( 8.131 6.083 -4.991) 11.315 4.743 ( 22.815 17.824 2.704) 29.078 8.013 ( 10.274 15.260 1.374) 18.448 8.283 ( -8.917 -4.964 2.603) 10.533 10.360 ( -0.611 -1.562 -1.778) 2.444 10.451 ( -0.102 -1.392 -15.028) 15.092 12.733 ( -24.294 -21.874 6.190) 33.271 14.495 ( 3.154 1.620 -3.192) 4.770 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 1.927 7.468 0.540) 7.731 2.516 ( 9.143 7.157 7.374) 13.755 3.038 ( 6.761 13.252 -0.804) 14.898 3.160 ( -1.396 0.094 -10.459) 10.552 3.979 ( 6.087 3.747 1.197) 7.248 5.270 ( 19.334 13.502 2.163) 23.680 8.202 ( 2.119 1.677 1.663) 3.173 8.336 ( 7.172 15.793 0.359) 17.349 10.325 ( -1.561 -2.062 -2.748) 3.773 10.372 ( -0.834 -2.038 -9.197) 9.457 12.074 ( -29.375 -20.421 1.919) 35.827 14.584 ( 6.289 -0.192 1.942) 6.585 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 0.405 6.840 -0.240) 6.856 2.755 ( 9.210 6.155 3.730) 11.688 3.034 ( -3.733 -3.066 -11.921) 12.862 3.283 ( 2.797 14.240 -0.456) 14.519 4.088 ( 3.180 0.993 3.649) 4.941 5.663 ( 13.665 8.300 1.781) 16.087 8.351 ( 10.120 6.274 -0.496) 11.917 8.580 ( 3.512 14.898 -0.791) 15.327 10.242 ( -0.425 -5.214 -6.867) 8.632 10.354 ( -1.093 0.646 0.812) 1.507 11.395 ( -28.773 -14.977 -0.058) 32.437 14.701 ( 7.345 -2.122 4.517) 8.880 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -1.195 6.022 -0.606) 6.169 2.887 ( -5.495 -3.155 -11.574) 13.195 2.973 ( 9.225 5.290 0.445) 10.643 3.428 ( -1.354 12.647 -0.154) 12.721 4.131 ( 0.745 -1.418 4.418) 4.700 5.904 ( 7.324 3.297 1.518) 8.175 8.633 ( 14.725 7.866 -5.076) 17.449 8.739 ( -0.358 13.291 -1.681) 13.401 10.166 ( -5.475 -2.950 -0.580) 6.246 10.305 ( -0.162 -8.166 2.460) 8.530 10.892 ( -17.883 -1.299 -1.264) 17.975 14.808 ( 6.616 -3.706 5.414) 9.317 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -2.811 4.880 -0.684) 5.673 2.723 ( -6.475 -2.987 -8.655) 11.214 3.177 ( 9.617 4.924 -3.914) 11.491 3.482 ( -5.759 10.736 -0.112) 12.184 4.115 ( -1.419 -3.365 5.033) 6.219 5.982 ( 0.263 -1.367 1.449) 2.009 8.798 ( -2.653 8.181 -3.176) 9.168 8.949 ( 12.455 7.560 -9.930) 17.632 9.935 ( -12.426 -5.402 8.073) 15.772 10.301 ( 5.300 -5.006 0.955) 7.353 10.755 ( -4.209 7.902 -1.587) 9.093 14.882 ( 5.038 -4.691 5.418) 8.760 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -0.000 17.787 10.749) 20.783 1.743 ( -0.000 16.787 16.983) 23.880 2.059 ( 0.000 6.745 -7.226) 9.885 2.433 ( -0.000 17.343 4.843) 18.007 2.574 ( -0.000 30.358 12.077) 32.672 4.143 ( 0.000 -6.596 -11.083) 12.897 7.239 ( -0.000 11.010 2.226) 11.233 8.925 ( 0.000 25.992 -1.468) 26.033 10.170 ( 0.000 -4.899 -22.893) 23.412 10.628 ( 0.000 -6.282 -1.240) 6.404 13.798 ( -0.000 -20.827 10.681) 23.407 14.480 ( 0.000 7.216 -10.540) 12.773 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 4.052 15.656 9.120) 18.566 1.940 ( 0.983 10.454 15.993) 19.132 2.170 ( 5.657 10.994 -6.354) 13.901 2.678 ( 6.699 15.723 5.098) 17.835 3.017 ( 11.269 31.804 3.343) 33.906 4.065 ( -0.275 0.385 -9.747) 9.758 7.410 ( 5.060 13.751 1.922) 14.779 9.039 ( -3.239 -9.738 8.843) 13.547 10.083 ( -1.008 13.599 -27.883) 31.039 10.571 ( 0.433 -5.285 -2.814) 6.003 13.583 ( -3.802 -23.671 12.916) 27.232 14.513 ( -0.604 6.270 -12.214) 13.742 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 4.537 10.630 5.975) 13.010 2.102 ( 2.069 9.386 13.138) 16.279 2.424 ( 9.337 17.087 -3.425) 19.771 2.952 ( 8.118 9.438 2.947) 12.793 3.483 ( 11.349 18.883 -6.276) 22.908 4.163 ( 8.230 14.696 -2.305) 17.000 7.685 ( 8.641 16.859 1.920) 19.041 8.739 ( -14.064 -15.875 4.510) 21.683 10.197 ( 6.046 7.764 -15.908) 18.705 10.514 ( -1.132 -2.786 -6.050) 6.756 13.277 ( -8.503 -25.917 12.414) 29.968 14.503 ( -2.398 4.913 -11.166) 12.433 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 3.704 9.542 2.912) 10.642 2.278 ( 4.174 8.661 10.598) 14.309 2.766 ( 9.422 19.733 -1.080) 21.894 3.114 ( 4.299 1.671 -3.723) 5.928 3.735 ( 7.280 9.353 -5.637) 13.125 4.596 ( 17.666 21.918 1.971) 28.220 8.027 ( 9.454 19.080 2.052) 21.392 8.404 ( -11.022 -7.553 2.097) 13.526 10.290 ( 4.627 0.486 -8.302) 9.516 10.431 ( -2.865 -3.341 -7.519) 8.712 12.852 ( -15.140 -26.556 8.312) 31.679 14.480 ( -1.029 2.618 -6.431) 7.019 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 1.703 10.078 0.985) 10.269 2.479 ( 6.568 7.535 8.455) 13.092 3.065 ( 3.290 8.278 -3.265) 9.487 3.160 ( 3.819 9.810 -6.168) 12.201 3.921 ( 6.250 6.264 -0.091) 8.849 5.104 ( 17.744 16.973 1.676) 24.612 8.222 ( -2.050 0.787 2.422) 3.269 8.409 ( 6.582 20.164 1.654) 21.275 10.288 ( -1.168 -6.465 -11.432) 13.185 10.355 ( 0.447 1.716 -0.681) 1.900 12.302 ( -21.760 -24.198 3.166) 32.697 14.492 ( 2.957 -1.067 -0.975) 3.291 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -0.276 10.211 0.192) 10.217 2.689 ( 7.420 6.253 5.492) 11.150 3.024 ( -2.340 -2.749 -10.146) 10.770 3.408 ( 3.285 19.685 -0.544) 19.965 4.054 ( 3.615 2.847 2.375) 5.178 5.516 ( 14.395 10.115 1.396) 17.649 8.283 ( 5.047 5.454 2.058) 7.710 8.710 ( 3.321 20.888 1.265) 21.188 10.160 ( -0.650 -7.799 -7.920) 11.134 10.393 ( -0.407 3.680 -0.108) 3.704 11.694 ( -24.651 -18.140 -0.421) 30.609 14.549 ( 6.713 -4.865 2.613) 8.693 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -2.232 9.747 -0.205) 10.002 2.881 ( 6.843 5.265 -1.167) 8.712 2.912 ( -3.402 -2.653 -6.770) 8.027 3.617 ( -1.085 18.962 0.164) 18.993 4.113 ( 0.949 -0.239 3.066) 3.219 5.795 ( 9.900 3.792 1.339) 10.686 8.488 ( 10.175 7.826 -0.404) 12.843 8.923 ( -1.497 18.818 0.660) 18.889 10.093 ( 3.738 -6.431 -4.794) 8.850 10.363 ( -7.425 -0.113 2.494) 7.833 11.176 ( -19.346 -6.308 -2.420) 20.492 14.631 ( 8.638 -7.658 4.154) 12.268 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -4.136 8.201 -0.367) 9.192 2.781 ( -5.661 -0.778 -8.455) 10.205 3.062 ( 8.137 3.922 -1.408) 9.142 3.739 ( -6.169 18.095 0.496) 19.124 4.106 ( -0.737 -3.190 3.449) 4.756 5.933 ( 4.493 -1.411 1.349) 4.898 8.730 ( 9.902 4.883 -4.960) 12.104 9.044 ( -3.855 16.664 0.438) 17.109 10.107 ( -1.219 -11.406 0.667) 11.491 10.170 ( -5.886 4.164 2.589) 7.661 10.936 ( -8.875 4.945 -2.818) 10.544 14.709 ( 8.654 -9.118 4.313) 13.290 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -0.000 11.390 6.983) 13.360 2.088 ( -0.000 10.029 14.208) 17.390 2.209 ( 0.000 13.874 -6.491) 15.317 2.800 ( -0.000 15.575 4.630) 16.248 3.249 ( 0.000 30.427 -0.421) 30.430 4.069 ( 0.000 7.434 -7.138) 10.306 7.510 ( -0.000 15.259 1.022) 15.293 8.983 ( -0.000 -14.808 7.635) 16.661 10.149 ( 0.000 13.418 -27.173) 30.305 10.490 ( 0.000 -6.938 -0.498) 6.956 13.406 ( -0.000 -26.775 14.124) 30.272 14.552 ( 0.000 7.532 -12.160) 14.303 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 3.547 7.689 3.870) 9.310 2.217 ( 0.158 9.290 11.228) 14.574 2.425 ( 8.307 17.271 -3.297) 19.447 2.967 ( 2.668 9.811 1.792) 10.324 3.528 ( 3.986 18.908 -6.065) 20.253 4.225 ( 4.307 21.542 -0.930) 21.988 7.725 ( 6.366 17.069 0.649) 18.229 8.776 ( -7.343 -15.785 1.666) 17.489 10.183 ( -0.005 7.493 -15.264) 17.004 10.448 ( 1.919 -5.326 -3.150) 6.479 13.145 ( -3.604 -29.205 13.560) 32.400 14.571 ( -2.305 7.024 -11.433) 13.615 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 5.510 7.328 2.349) 9.465 2.349 ( 1.555 8.690 8.900) 12.535 2.774 ( 11.803 18.956 -1.446) 22.377 3.064 ( 2.068 1.955 -3.390) 4.426 3.726 ( 4.397 12.149 -4.572) 13.705 4.602 ( 10.135 26.447 1.562) 28.366 8.052 ( 10.407 18.933 0.939) 21.626 8.500 ( -9.043 -8.767 -1.465) 12.680 10.213 ( 2.292 1.493 -7.336) 7.829 10.401 ( -0.355 -4.880 -4.311) 6.521 12.792 ( -7.928 -30.384 10.560) 33.129 14.541 ( -4.224 4.912 -8.777) 10.909 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 5.366 8.742 1.286) 10.338 2.494 ( 3.232 7.531 7.634) 11.200 3.055 ( 0.140 -0.553 -5.925) 5.953 3.167 ( 11.070 18.200 -1.978) 21.394 3.900 ( 4.697 8.869 -0.585) 10.053 5.037 ( 12.084 21.062 1.200) 24.312 8.285 ( -3.226 0.960 0.040) 3.366 8.478 ( 9.177 19.060 0.707) 21.166 10.205 ( -0.203 -5.584 -7.918) 9.691 10.357 ( 0.877 0.741 -0.810) 1.405 12.349 ( -12.853 -28.695 5.987) 32.007 14.483 ( -3.246 1.058 -4.618) 5.743 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 2.268 10.576 0.404) 10.824 2.654 ( 5.522 5.559 6.204) 9.994 3.000 ( -1.331 -2.647 -8.024) 8.553 3.512 ( 7.465 19.062 -0.681) 20.483 4.045 ( 3.449 6.057 1.402) 7.110 5.406 ( 11.253 12.634 0.811) 16.938 8.290 ( 1.476 5.378 1.384) 5.747 8.839 ( 7.277 20.994 1.537) 22.272 10.077 ( -2.155 -8.877 -6.613) 11.277 10.428 ( 2.208 5.984 -0.207) 6.382 11.849 ( -16.782 -23.013 1.482) 28.521 14.437 ( 0.639 -3.874 -0.600) 3.972 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -1.088 10.843 0.175) 10.899 2.819 ( 6.372 4.329 3.066) 8.291 2.920 ( -2.456 -1.809 -7.491) 8.089 3.774 ( 3.534 14.918 0.646) 15.344 4.143 ( 0.113 7.054 1.336) 7.180 5.666 ( 9.447 4.131 0.801) 10.342 8.437 ( 6.174 8.909 1.686) 10.970 9.114 ( 1.703 17.753 1.762) 17.922 9.957 ( 1.044 -8.648 -4.937) 10.013 10.503 ( -2.924 7.543 1.305) 8.194 11.381 ( -15.951 -12.533 -2.198) 20.404 14.430 ( 5.357 -8.369 2.008) 10.138 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -4.046 7.496 -1.002) 8.577 2.849 ( -3.606 2.818 -5.694) 7.306 2.970 ( 6.511 3.138 0.236) 7.232 3.923 ( 1.853 5.359 2.955) 6.394 4.197 ( -5.862 13.318 -0.154) 14.552 5.814 ( 7.066 -2.759 0.984) 7.649 8.644 ( 6.750 7.941 -0.400) 10.430 9.254 ( -2.534 12.427 2.235) 12.878 9.922 ( 5.528 -8.621 -3.463) 10.810 10.450 ( -12.470 8.790 3.904) 15.749 11.102 ( -8.549 0.007 -4.530) 9.675 14.463 ( 8.743 -11.139 2.874) 14.449 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -0.000 5.914 1.635) 6.135 2.333 ( -0.000 7.940 9.458) 12.349 2.507 ( 0.000 17.554 -2.447) 17.724 3.029 ( 0.000 5.639 -1.405) 5.812 3.649 ( 0.000 15.305 -5.371) 16.220 4.439 ( -0.000 28.789 1.133) 28.811 7.830 ( 0.000 16.771 -0.579) 16.781 8.689 ( 0.000 -13.504 -3.617) 13.980 10.204 ( 0.000 3.530 -11.707) 12.227 10.368 ( -0.000 -5.097 0.555) 5.127 12.917 ( -0.000 -31.676 13.132) 34.290 14.634 ( 0.000 7.871 -10.769) 13.339 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 4.387 5.534 0.776) 7.104 2.436 ( 0.606 7.401 7.521) 10.569 2.754 ( 9.307 16.887 -1.379) 19.330 3.052 ( 0.121 0.698 -4.546) 4.601 3.790 ( 1.582 13.008 -2.656) 13.371 4.767 ( 3.770 29.176 1.354) 29.449 8.062 ( 8.121 16.850 -0.867) 18.725 8.519 ( -4.398 -8.084 -6.946) 11.530 10.189 ( -0.178 -0.203 -4.388) 4.396 10.340 ( 0.945 -3.765 -0.343) 3.897 12.606 ( -3.354 -33.162 10.916) 35.073 14.646 ( -3.792 6.926 -9.252) 12.163 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 7.482 6.100 0.750) 9.683 2.547 ( 1.774 6.757 6.583) 9.598 3.024 ( -0.030 -1.784 -6.083) 6.340 3.121 ( 13.471 16.621 -0.768) 21.408 3.931 ( 2.248 9.769 -0.541) 10.039 5.116 ( 5.526 24.146 0.812) 24.784 8.332 ( -0.191 3.276 -3.821) 5.037 8.466 ( 10.116 13.230 -2.730) 16.877 10.152 ( -1.377 -4.708 -2.385) 5.455 10.337 ( 1.783 0.530 0.285) 1.882 12.229 ( -6.313 -32.316 7.682) 33.811 14.584 ( -6.864 4.283 -6.848) 10.599 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 8.190 7.213 0.539) 10.927 2.664 ( 2.357 5.634 6.101) 8.633 2.973 ( -0.977 -2.285 -6.110) 6.596 3.513 ( 12.629 16.424 -0.786) 20.733 4.053 ( 3.119 6.333 0.579) 7.083 5.410 ( 5.092 16.244 0.357) 17.028 8.328 ( 0.389 5.203 -2.510) 5.790 8.857 ( 13.307 17.557 -0.400) 22.033 10.033 ( -4.020 -7.386 -2.088) 8.665 10.423 ( 4.679 5.143 0.218) 6.957 11.822 ( -8.653 -27.714 4.282) 29.348 14.468 ( -7.019 0.236 -3.842) 8.005 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 5.392 9.283 0.056) 10.735 2.771 ( 3.238 3.448 4.583) 6.586 2.915 ( -1.323 -1.557 -5.207) 5.593 3.811 ( 5.537 10.270 -0.221) 11.669 4.197 ( 5.630 9.704 0.638) 11.237 5.600 ( 3.830 6.838 0.198) 7.840 8.443 ( 4.615 9.361 0.039) 10.437 9.198 ( 7.571 14.138 0.300) 16.040 9.883 ( -3.611 -7.779 -1.849) 8.773 10.577 ( 4.615 8.587 0.077) 9.749 11.444 ( -9.342 -18.327 1.005) 20.595 14.346 ( -3.589 -4.561 -0.894) 5.873 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -3.480 4.336 -3.398) 6.516 2.880 ( 3.632 -0.605 4.947) 6.167 2.929 ( 3.017 8.767 -3.817) 10.026 3.902 ( 1.271 -1.008 1.347) 2.108 4.422 ( 2.153 19.185 -0.270) 19.307 5.682 ( 3.840 -2.783 0.369) 4.757 8.635 ( 5.505 9.925 0.661) 11.369 9.375 ( 0.693 7.740 1.415) 7.899 9.770 ( 0.597 -8.080 -2.166) 8.386 10.707 ( -2.467 11.244 2.467) 11.773 11.188 ( -5.988 -5.375 -3.090) 8.619 14.266 ( 2.074 -8.727 1.062) 9.033 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.000 4.722 0.039) 4.722 2.518 ( -0.000 6.217 6.242) 8.810 2.823 ( 0.000 15.268 -0.931) 15.296 3.033 ( 0.000 -1.228 -5.358) 5.497 3.898 ( 0.000 12.044 -0.968) 12.083 5.025 ( 0.000 28.034 0.784) 28.045 8.137 ( 0.000 14.793 -1.720) 14.893 8.459 ( 0.000 -5.060 -10.686) 11.823 10.174 ( -0.000 -2.082 0.176) 2.089 10.310 ( -0.000 -1.240 1.307) 1.802 12.330 ( -0.000 -34.923 9.280) 36.135 14.727 ( 0.000 7.460 -8.558) 11.353 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 5.292 4.561 0.092) 6.986 2.601 ( 1.077 5.431 6.019) 8.178 2.991 ( 0.149 -0.694 -4.757) 4.810 3.058 ( 9.513 12.511 -0.948) 15.745 4.005 ( 0.259 9.228 -0.339) 9.238 5.299 ( 1.673 23.839 0.164) 23.898 8.336 ( 4.462 8.762 -3.923) 10.587 8.408 ( 4.491 4.944 -7.778) 10.252 10.142 ( -1.768 -3.139 2.870) 4.606 10.321 ( 1.156 1.177 1.176) 2.026 11.992 ( -2.126 -34.591 6.838) 35.324 14.726 ( -5.331 6.333 -7.293) 11.033 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 9.021 4.697 0.250) 10.174 2.697 ( 2.030 4.425 6.902) 8.446 2.953 ( -0.729 -1.483 -4.845) 5.119 3.409 ( 15.560 13.046 -0.574) 20.314 4.080 ( 0.351 5.360 -0.322) 5.381 5.531 ( 1.232 17.776 -0.201) 17.820 8.360 ( 0.345 5.556 -6.003) 8.187 8.739 ( 16.785 12.972 -1.951) 21.303 10.058 ( -5.038 -3.819 2.845) 6.932 10.386 ( 3.908 2.751 0.673) 4.826 11.643 ( -2.789 -30.519 4.791) 31.019 14.627 ( -9.744 3.967 -5.556) 11.897 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 9.944 4.338 0.284) 10.853 2.795 ( 2.539 3.497 7.608) 8.750 2.913 ( -1.328 0.070 -5.017) 5.191 3.782 ( 11.449 11.190 -1.080) 16.046 4.149 ( 5.449 3.420 -0.005) 6.433 5.671 ( -1.311 10.398 -0.371) 10.487 8.456 ( 3.847 9.229 -2.497) 10.305 9.130 ( 14.333 10.591 -1.731) 17.905 9.924 ( -7.270 -3.465 2.393) 8.401 10.513 ( 8.294 2.421 -0.921) 8.689 11.354 ( -2.379 -21.045 3.779) 21.514 14.455 ( -11.184 0.802 -3.356) 11.704 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 0.000 3.810 0.037) 3.810 2.658 ( -0.000 4.253 6.569) 7.826 2.969 ( 0.000 -1.647 -4.130) 4.446 3.083 ( 0.000 11.501 -0.350) 11.506 4.086 ( 0.000 7.298 -0.616) 7.324 5.506 ( 0.000 20.674 -0.512) 20.681 8.377 ( 0.000 3.259 -9.769) 10.299 8.378 ( 0.000 10.774 -1.281) 10.850 10.153 ( -0.000 -1.568 5.604) 5.819 10.330 ( -0.000 2.219 0.826) 2.368 11.681 ( -0.000 -34.946 4.636) 35.253 14.818 ( 0.000 6.519 -6.886) 9.483 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 5.828 3.393 0.229) 6.748 2.726 ( 1.255 2.613 8.837) 9.300 2.941 ( -0.504 -0.023 -4.178) 4.209 3.282 ( 10.943 9.668 -0.243) 14.604 4.134 ( -0.892 4.399 -1.291) 4.671 5.688 ( 0.163 16.031 -0.845) 16.054 8.400 ( 0.042 7.574 -5.771) 9.522 8.582 ( 12.233 9.172 -1.087) 15.328 10.129 ( -3.583 -0.665 5.285) 6.420 10.364 ( 1.051 1.687 0.049) 1.988 11.365 ( 0.681 -31.340 2.931) 31.484 14.802 ( -6.509 5.372 -6.061) 10.391 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 9.674 2.869 0.211) 10.092 2.794 ( 2.011 -1.022 10.975) 11.205 2.935 ( -0.693 3.932 -4.799) 6.243 3.619 ( 17.331 8.660 -0.453) 19.380 4.135 ( -1.159 1.059 -1.762) 2.360 5.805 ( -1.787 10.553 -0.946) 10.745 8.494 ( 1.833 10.537 -1.731) 10.834 8.932 ( 17.818 7.817 -1.298) 19.501 10.053 ( -7.277 1.045 4.053) 8.395 10.383 ( 3.791 -4.930 -1.821) 6.481 11.150 ( 3.493 -20.108 3.190) 20.657 14.671 ( -11.777 3.653 -4.735) 13.208 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -0.000 2.612 0.461) 2.653 2.759 ( -0.000 -0.424 11.633) 11.641 2.947 ( 0.000 3.137 -4.094) 5.158 3.265 ( 0.000 7.159 -0.047) 7.159 4.173 ( 0.000 2.652 -2.320) 3.524 5.824 ( 0.000 12.442 -1.182) 12.498 8.477 ( 0.000 10.797 -2.156) 11.010 8.549 ( -0.000 7.082 0.667) 7.114 10.170 ( -0.000 -0.731 4.399) 4.459 10.383 ( 0.000 2.557 -0.872) 2.701 11.055 ( -0.000 -29.218 0.906) 29.232 14.893 ( 0.000 4.942 -6.033) 7.798 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 5.943 1.881 0.536) 6.256 2.779 ( 0.770 -4.275 11.630) 12.415 2.987 ( -0.213 7.371 -2.139) 7.678 3.427 ( 11.678 5.140 0.015) 12.759 4.165 ( -1.739 0.385 -3.215) 3.675 5.916 ( -0.822 7.961 -1.269) 8.103 8.598 ( -0.085 13.397 2.535) 13.635 8.727 ( 12.506 5.843 1.020) 13.842 10.155 ( -0.813 -1.285 1.716) 2.292 10.328 ( -6.221 -5.120 -2.577) 8.459 10.880 ( 7.145 -16.461 1.404) 17.999 14.858 ( -6.949 3.818 -5.507) 9.653 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -0.000 1.066 0.804) 1.336 2.755 ( -0.000 -6.168 10.619) 12.280 3.072 ( -0.000 9.686 1.290) 9.772 3.361 ( -0.000 2.565 0.102) 2.567 4.167 ( 0.000 -1.081 -4.265) 4.400 5.979 ( 0.000 4.040 -1.343) 4.257 8.668 ( -0.000 4.028 2.632) 4.811 8.767 ( -0.000 16.366 7.993) 18.214 10.078 ( 0.000 -11.706 -4.475) 12.533 10.399 ( 0.000 -0.105 -2.567) 2.569 10.668 ( -0.000 -7.508 1.882) 7.740 14.934 ( 0.000 2.843 -5.804) 6.462 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -0.000 0.000 17.427) 17.427 0.952 ( -0.000 0.000 17.427) 17.427 1.957 ( 0.000 -0.000 -6.116) 6.116 1.957 ( 0.000 -0.000 -6.116) 6.116 2.067 ( -0.000 0.000 40.322) 40.322 4.693 ( 0.000 -0.000 -19.526) 19.526 7.016 ( -0.000 0.000 2.889) 2.889 7.016 ( -0.000 0.000 2.889) 2.889 10.772 ( 0.000 -0.000 -1.609) 1.609 10.772 ( 0.000 -0.000 -1.609) 1.609 14.183 ( -0.000 0.000 1.592) 1.592 14.315 ( 0.000 -0.000 -0.999) 0.999 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 10.055 5.805 15.559) 19.413 1.361 ( 22.037 12.723 15.239) 29.660 1.970 ( 2.747 1.586 -6.158) 6.927 2.069 ( 11.964 6.908 -6.045) 15.080 2.264 ( 7.777 4.490 33.318) 34.507 4.368 ( -14.389 -8.307 -13.071) 21.140 7.077 ( 4.585 2.647 2.662) 5.926 7.914 ( 59.621 34.422 -13.162) 70.092 10.466 ( -23.797 -13.739 -2.534) 27.595 10.738 ( -2.730 -1.576 -1.611) 3.540 14.119 ( -6.699 -3.868 4.127) 8.767 14.361 ( 4.231 2.443 -5.073) 7.043 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 14.762 8.523 12.263) 20.998 1.781 ( 9.266 5.350 19.111) 21.903 2.047 ( 5.912 3.413 -6.262) 9.263 2.469 ( 21.539 12.436 -5.144) 25.398 2.660 ( 22.000 12.702 17.949) 31.105 4.102 ( -5.917 -3.416 -11.706) 13.554 7.237 ( 8.765 5.061 2.282) 10.375 9.011 ( 28.846 16.654 -3.154) 33.457 9.905 ( -13.802 -7.969 -15.839) 22.469 10.646 ( -4.789 -2.765 -1.594) 5.755 13.925 ( -12.130 -7.003 9.014) 16.656 14.413 ( 1.949 1.125 -10.771) 11.003 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 11.891 6.865 8.659) 16.232 1.986 ( 5.742 3.315 17.327) 18.552 2.215 ( 10.890 6.287 -5.155) 13.590 2.883 ( 15.099 8.718 3.294) 17.744 3.279 ( 25.479 14.711 -2.502) 29.527 4.056 ( 6.369 3.677 -6.378) 9.735 7.482 ( 12.172 7.028 1.871) 14.179 8.887 ( -23.225 -13.409 8.393) 28.100 10.102 ( 20.858 12.042 -23.180) 33.427 10.523 ( -5.344 -3.086 -1.517) 6.355 13.610 ( -18.744 -10.822 9.658) 23.701 14.406 ( 1.261 0.728 -10.071) 10.176 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 7.080 4.087 3.802) 9.016 2.183 ( 7.817 4.513 13.427) 16.179 2.501 ( 14.470 8.354 -1.988) 16.826 3.130 ( 5.745 3.317 -2.067) 6.948 3.662 ( 12.095 6.983 -7.569) 15.885 4.431 ( 24.541 14.169 1.925) 28.403 7.786 ( 13.914 8.033 1.409) 16.128 8.443 ( -15.993 -9.233 5.378) 19.234 10.361 ( 7.274 4.199 -16.702) 18.695 10.409 ( -4.141 -2.391 -1.259) 4.944 13.120 ( -26.492 -15.295 5.015) 30.999 14.443 ( 3.982 2.299 -3.390) 5.713 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 5.060 2.921 1.145) 5.954 2.415 ( 9.396 5.425 9.401) 14.356 2.817 ( 13.228 7.637 -0.494) 15.282 3.149 ( -1.315 -0.759 -9.211) 9.335 3.889 ( 9.179 5.300 -0.857) 10.634 5.005 ( 23.799 13.740 2.175) 27.566 8.100 ( 13.199 7.620 0.710) 15.257 8.227 ( -4.323 -2.496 4.347) 6.619 10.339 ( -1.575 -0.909 -0.642) 1.929 10.374 ( -0.893 -0.515 -12.955) 12.996 12.464 ( -31.599 -18.244 0.772) 36.496 14.557 ( 5.839 3.371 2.391) 7.154 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 3.765 2.174 -0.006) 4.347 2.652 ( 9.350 5.398 4.987) 11.892 3.055 ( -3.822 -2.207 -11.100) 11.945 3.081 ( 10.046 5.800 -0.133) 11.601 4.057 ( 5.319 3.071 2.435) 6.607 5.484 ( 17.722 10.232 1.836) 20.546 8.260 ( 5.790 3.343 2.701) 7.211 8.370 ( 10.327 5.962 -0.362) 11.930 10.290 ( -2.732 -1.577 -9.322) 9.841 10.334 ( 0.978 0.565 0.404) 1.200 11.734 ( -32.059 -18.509 -0.730) 37.025 14.703 ( 5.783 3.339 5.168) 8.444 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 2.415 1.394 -0.560) 2.844 2.852 ( 6.085 3.513 -5.985) 9.230 2.934 ( -2.343 -1.353 -3.837) 4.695 3.265 ( 6.235 3.600 -0.081) 7.200 4.146 ( 1.853 1.070 3.650) 4.231 5.812 ( 10.808 6.240 1.551) 12.577 8.474 ( 12.126 7.001 -1.264) 14.059 8.560 ( 6.758 3.902 -1.612) 7.968 10.210 ( -2.844 -1.642 -4.402) 5.492 10.372 ( 1.652 0.954 1.621) 2.503 11.061 ( -25.809 -14.901 -0.360) 29.804 14.838 ( 4.413 2.548 5.959) 7.841 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -0.000 14.418 13.101) 19.481 1.342 ( -0.000 25.770 15.072) 29.853 1.946 ( 0.000 2.898 -6.930) 7.512 2.054 ( 0.000 13.781 -6.793) 15.364 2.356 ( -0.000 6.156 33.921) 34.475 4.327 ( 0.000 -15.767 -14.204) 21.222 7.085 ( -0.000 5.440 2.507) 5.990 7.869 ( 0.000 65.278 -10.278) 66.082 10.500 ( 0.000 -23.006 -3.842) 23.324 10.724 ( 0.000 -3.680 -1.333) 3.914 14.119 ( -0.000 -9.115 4.359) 10.103 14.342 ( 0.000 3.951 -4.507) 5.994 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 4.437 17.706 11.906) 21.793 1.756 ( 9.922 14.815 16.158) 24.063 1.994 ( 3.620 5.149 -7.066) 9.463 2.302 ( 12.364 20.772 -7.842) 25.413 2.601 ( 8.700 12.531 24.689) 29.022 4.108 ( -4.566 -7.595 -12.828) 15.591 7.199 ( 4.537 8.315 2.175) 9.719 8.725 ( 27.906 43.507 -7.450) 52.222 10.063 ( -18.331 -20.007 -9.768) 28.840 10.666 ( -1.842 -4.510 -1.514) 5.101 13.985 ( -4.619 -13.528 8.074) 16.418 14.380 ( 1.164 3.668 -8.851) 9.651 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 7.222 14.684 9.930) 19.141 1.999 ( 4.076 5.834 15.068) 16.664 2.137 ( 6.967 10.285 -5.661) 13.652 2.732 ( 15.246 14.310 0.389) 20.913 3.063 ( 19.234 20.133 5.229) 28.331 4.001 ( 1.165 1.532 -9.383) 9.579 7.411 ( 8.109 11.434 1.905) 14.146 9.097 ( -12.461 -14.130 10.889) 21.760 9.857 ( 13.078 17.029 -24.370) 32.479 10.569 ( -3.847 -3.758 -1.935) 5.715 13.742 ( -10.014 -17.423 9.702) 22.315 14.387 ( -0.266 3.212 -10.463) 10.948 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 4.455 9.226 5.014) 11.407 2.168 ( 4.905 5.840 13.077) 15.138 2.405 ( 10.536 15.631 -2.545) 19.021 3.043 ( 8.693 5.414 0.163) 10.242 3.510 ( 13.206 11.633 -6.855) 18.887 4.220 ( 17.490 15.616 -0.269) 23.449 7.700 ( 10.203 14.157 1.734) 17.536 8.643 ( -18.289 -14.660 6.139) 24.230 10.190 ( 11.966 7.435 -14.852) 20.471 10.461 ( -4.368 -2.199 -2.653) 5.564 13.342 ( -18.197 -20.659 5.822) 28.140 14.402 ( 1.907 3.162 -5.395) 6.538 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 2.794 7.659 1.717) 8.331 2.366 ( 6.927 6.506 10.213) 13.950 2.740 ( 10.019 16.314 -0.453) 19.150 3.123 ( 0.665 -0.699 -7.054) 7.120 3.778 ( 10.332 7.798 -2.339) 13.154 4.763 ( 22.941 17.754 1.680) 29.057 8.026 ( 9.901 15.464 1.527) 18.425 8.320 ( -9.174 -6.047 5.375) 12.232 10.306 ( 3.541 -0.091 -10.563) 11.141 10.367 ( -3.319 -1.765 -2.838) 4.710 12.764 ( -25.905 -21.773 0.792) 33.849 14.485 ( 5.464 1.774 0.948) 5.822 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 1.548 7.252 0.356) 7.424 2.581 ( 7.716 6.250 6.483) 11.859 3.024 ( 3.602 6.853 -3.281) 8.408 3.078 ( 0.848 6.169 -6.235) 8.812 3.990 ( 7.257 4.511 1.195) 8.628 5.286 ( 19.369 13.357 1.494) 23.575 8.232 ( 1.532 1.033 4.783) 5.128 8.343 ( 6.339 15.693 1.249) 16.971 10.258 ( -1.202 -4.449 -9.032) 10.140 10.339 ( 0.205 1.511 -1.044) 1.848 12.074 ( -29.908 -20.317 -1.751) 36.198 14.614 ( 7.559 -0.420 4.533) 8.824 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 0.176 6.798 -0.262) 6.805 2.774 ( 6.575 5.146 -0.717) 8.380 2.946 ( -3.073 -2.631 -6.098) 7.318 3.281 ( 2.942 14.289 -0.050) 14.589 4.116 ( 3.797 1.258 2.551) 4.744 5.678 ( 13.680 8.201 1.387) 16.010 8.361 ( 8.272 5.235 2.696) 10.154 8.577 ( 2.636 15.088 0.088) 15.317 10.182 ( 0.640 -4.271 -6.306) 7.643 10.361 ( 0.106 1.267 0.577) 1.396 11.386 ( -28.453 -15.189 -1.776) 32.303 14.748 ( 7.858 -2.492 5.672) 10.007 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -0.000 16.912 9.822) 19.557 1.887 ( -0.000 16.939 14.855) 22.531 1.989 ( 0.000 6.452 -8.165) 10.406 2.411 ( 0.000 25.220 -5.758) 25.869 2.742 ( -0.000 17.506 20.424) 26.900 4.034 ( 0.000 -5.640 -12.457) 13.674 7.257 ( -0.000 10.716 1.661) 10.844 8.920 ( 0.000 37.665 0.275) 37.666 9.985 ( 0.000 -17.286 -17.658) 24.710 10.619 ( 0.000 -6.133 -0.782) 6.183 13.891 ( -0.000 -18.256 9.936) 20.785 14.390 ( 0.000 5.226 -9.375) 10.733 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 3.820 13.855 8.845) 16.876 2.056 ( 1.861 9.578 5.747) 11.324 2.121 ( 5.792 11.646 -0.963) 13.043 2.702 ( 7.249 19.279 0.502) 20.603 3.065 ( 8.329 23.590 6.767) 25.916 3.977 ( 0.685 3.055 -9.182) 9.701 7.425 ( 5.260 13.452 1.275) 14.500 9.130 ( -3.653 -10.975 11.207) 16.106 9.840 ( 1.303 15.647 -25.129) 29.631 10.553 ( -0.506 -5.834 -1.284) 5.995 13.693 ( -4.076 -22.185 11.172) 25.171 14.408 ( -0.738 5.583 -10.549) 11.958 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 3.896 8.766 4.294) 10.510 2.208 ( 2.447 8.138 9.462) 12.718 2.397 ( 10.106 18.150 -2.481) 20.922 2.972 ( 6.877 8.043 1.465) 10.683 3.432 ( 9.338 16.290 -4.701) 19.356 4.145 ( 10.381 18.081 -1.544) 20.907 7.699 ( 8.915 16.696 1.261) 18.969 8.779 ( -14.513 -18.806 3.902) 24.073 10.064 ( 8.304 12.113 -12.456) 19.257 10.478 ( -1.927 -4.201 -2.430) 5.221 13.373 ( -10.026 -25.353 8.589) 28.585 14.415 ( -0.949 5.070 -8.031) 9.544 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 3.093 8.922 1.673) 9.590 2.366 ( 4.381 7.427 8.141) 11.859 2.759 ( 9.905 20.143 -0.466) 22.451 3.076 ( 2.001 -0.285 -4.345) 4.792 3.697 ( 8.663 11.071 -2.742) 14.322 4.610 ( 17.912 22.080 1.026) 28.450 8.043 ( 9.658 19.139 1.494) 21.490 8.428 ( -10.199 -9.305 3.007) 14.130 10.211 ( 4.640 1.980 -7.896) 9.370 10.391 ( -2.906 -3.248 -2.394) 4.973 12.905 ( -17.418 -26.042 3.316) 31.505 14.439 ( 1.492 2.408 -2.464) 3.754 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 1.406 9.842 0.418) 9.951 2.548 ( 6.054 6.724 6.139) 10.934 3.024 ( -0.515 0.017 -4.954) 4.981 3.124 ( 6.542 17.628 -1.896) 18.898 3.922 ( 7.216 7.106 0.362) 10.134 5.116 ( 17.821 16.811 0.871) 24.515 8.252 ( -1.362 -0.020 4.007) 4.232 8.425 ( 6.496 19.892 1.920) 21.014 10.201 ( -0.985 -5.284 -7.540) 9.260 10.348 ( 0.325 1.786 -0.771) 1.972 12.312 ( -23.410 -23.668 -1.007) 33.305 14.497 ( 5.004 -1.751 2.185) 5.734 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -0.442 10.198 -0.071) 10.208 2.724 ( 5.744 5.567 1.251) 8.096 2.951 ( -2.493 -2.637 -4.819) 6.032 3.406 ( 3.481 19.872 0.096) 20.175 4.072 ( 4.157 3.041 1.410) 5.340 5.527 ( 14.554 9.989 0.840) 17.673 8.312 ( 4.595 4.466 4.340) 7.740 8.723 ( 2.906 21.068 1.661) 21.332 10.098 ( -0.202 -7.037 -5.691) 9.053 10.391 ( 0.100 4.280 -0.366) 4.297 11.678 ( -25.191 -18.039 -2.903) 31.120 14.582 ( 7.809 -5.639 4.409) 10.593 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -0.000 8.353 5.552) 10.030 2.150 ( 0.000 16.470 -6.285) 17.628 2.196 ( -0.000 8.948 9.236) 12.860 2.834 ( -0.000 16.122 2.990) 16.397 3.250 ( 0.000 23.647 0.560) 23.653 4.010 ( 0.000 11.841 -5.451) 13.036 7.516 ( 0.000 14.776 0.350) 14.780 9.048 ( -0.000 -20.493 6.042) 21.365 9.933 ( 0.000 19.325 -19.819) 27.681 10.488 ( -0.000 -6.666 0.061) 6.667 13.527 ( -0.000 -25.903 12.182) 28.625 14.448 ( 0.000 7.197 -10.590) 12.804 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 3.624 6.041 1.869) 7.289 2.295 ( 0.371 9.130 5.514) 10.672 2.400 ( 8.621 17.907 -1.952) 19.970 2.983 ( 2.005 7.325 2.045) 7.865 3.481 ( 3.515 17.514 -4.184) 18.346 4.219 ( 4.928 24.383 -0.443) 24.880 7.727 ( 6.738 16.599 -0.057) 17.914 8.779 ( -7.236 -19.732 -1.295) 21.056 10.071 ( 1.995 12.009 -8.575) 14.891 10.433 ( 0.476 -5.579 -0.549) 5.626 13.256 ( -4.434 -29.064 10.702) 31.287 14.475 ( -1.749 7.237 -9.383) 11.978 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 5.674 6.793 1.024) 8.910 2.411 ( 1.877 8.226 4.079) 9.371 2.763 ( 12.204 19.178 -0.923) 22.750 3.040 ( 0.675 -0.144 -1.429) 1.587 3.695 ( 5.042 13.667 -2.274) 14.744 4.612 ( 10.199 26.660 0.737) 28.554 8.057 ( 10.999 18.575 0.095) 21.587 8.482 ( -7.479 -11.024 -2.455) 13.546 10.162 ( 1.913 3.244 -3.214) 4.952 10.380 ( -0.801 -4.268 -1.005) 4.457 12.871 ( -9.669 -30.275 6.736) 32.487 14.473 ( -2.612 4.943 -5.979) 8.186 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 5.076 8.609 0.438) 10.004 2.546 ( 3.702 7.293 3.256) 8.803 3.012 ( -1.045 -2.522 -2.816) 3.922 3.156 ( 11.308 19.457 -0.556) 22.511 3.897 ( 5.378 9.591 -0.163) 10.997 5.044 ( 12.063 20.935 0.407) 24.165 8.285 ( -1.772 -0.690 0.018) 1.902 8.483 ( 10.315 18.939 0.269) 21.567 10.156 ( -1.605 -4.603 -2.801) 5.622 10.353 ( 0.972 1.343 -0.212) 1.671 12.386 ( -14.941 -28.157 2.057) 31.942 14.454 ( -1.113 0.448 -1.637) 2.030 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 2.174 10.603 -0.102) 10.824 2.690 ( 4.853 5.397 0.864) 7.309 2.951 ( -1.866 -2.695 -1.825) 3.752 3.509 ( 7.732 19.103 0.094) 20.609 4.053 ( 3.802 6.166 0.438) 7.257 5.411 ( 11.368 12.527 0.236) 16.918 8.306 ( 2.744 4.286 2.153) 5.526 8.851 ( 7.793 20.713 1.040) 22.155 10.035 ( -2.926 -7.908 -2.440) 8.778 10.426 ( 2.237 6.324 -0.260) 6.713 11.848 ( -18.482 -22.359 -1.545) 29.050 14.443 ( 2.392 -4.826 1.767) 5.669 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 0.000 5.196 0.087) 5.196 2.390 ( -0.000 7.668 2.587) 8.092 2.489 ( 0.000 18.309 -1.459) 18.367 3.026 ( -0.000 2.546 1.178) 2.805 3.610 ( 0.000 16.491 -2.983) 16.758 4.447 ( 0.000 29.617 0.575) 29.622 7.823 ( 0.000 16.276 -1.037) 16.309 8.642 ( 0.000 -16.819 -6.663) 18.090 10.138 ( 0.000 7.066 -2.804) 7.602 10.375 ( -0.000 -4.802 0.962) 4.898 13.025 ( -0.000 -32.199 10.415) 33.842 14.542 ( 0.000 8.307 -9.201) 12.396 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 4.671 5.322 -0.099) 7.082 2.475 ( 0.862 7.885 0.491) 7.948 2.744 ( 9.331 17.117 -0.858) 19.514 3.032 ( -0.219 -1.293 0.585) 1.436 3.772 ( 1.705 14.209 -1.284) 14.368 4.775 ( 3.780 29.064 0.401) 29.312 8.053 ( 8.456 16.464 -1.266) 18.552 8.450 ( -3.112 -10.060 -8.022) 13.238 10.177 ( -0.377 1.733 1.808) 2.532 10.342 ( 0.274 -3.224 0.761) 3.324 12.693 ( -4.028 -33.873 8.009) 35.040 14.568 ( -3.177 7.319 -7.627) 11.038 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 7.686 5.988 0.186) 9.745 2.579 ( 2.158 7.824 -0.068) 8.116 2.996 ( -0.433 -2.508 0.320) 2.566 3.117 ( 13.299 16.310 -0.024) 21.045 3.926 ( 2.504 10.189 -0.514) 10.504 5.120 ( 5.548 23.946 -0.022) 24.580 8.292 ( -0.313 0.206 -4.635) 4.650 8.444 ( 12.874 14.876 -2.204) 19.796 10.154 ( -2.816 -3.714 2.813) 5.444 10.341 ( 1.570 1.019 0.698) 1.997 12.286 ( -7.466 -32.575 4.683) 33.746 14.530 ( -5.590 4.230 -4.922) 8.565 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 0.000 4.801 -0.438) 4.821 2.540 ( 0.000 7.678 -1.614) 7.846 2.817 ( 0.000 15.457 -0.498) 15.465 3.018 ( -0.000 -2.782 2.294) 3.606 3.890 ( 0.000 12.565 -0.660) 12.583 5.027 ( 0.000 27.736 -0.222) 27.737 8.122 ( 0.000 14.687 -1.571) 14.771 8.364 ( 0.000 -5.891 -10.055) 11.653 10.200 ( -0.000 -0.537 5.531) 5.557 10.321 ( -0.000 -1.234 1.234) 1.745 12.404 ( -0.000 -36.127 6.824) 36.766 14.653 ( 0.000 7.962 -7.543) 10.968 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 5.426 4.671 -0.133) 7.161 2.622 ( 1.344 7.848 -1.692) 8.140 2.983 ( -0.156 -1.805 3.125) 3.612 3.055 ( 9.509 12.241 0.324) 15.504 3.999 ( 0.288 9.200 -0.861) 9.245 5.296 ( 1.760 23.579 -0.695) 23.655 8.285 ( 0.226 2.668 -6.549) 7.076 8.361 ( 9.821 11.375 -2.950) 15.315 10.186 ( -2.608 -2.616 6.512) 7.487 10.331 ( 1.131 1.110 0.994) 1.871 12.044 ( -2.335 -35.676 4.660) 36.055 14.664 ( -4.844 6.652 -6.364) 10.403 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 0.000 4.028 0.022) 4.028 2.683 ( 0.000 8.094 -1.068) 8.164 2.975 ( -0.000 -3.886 5.572) 6.793 3.081 ( 0.000 11.588 -0.116) 11.589 4.076 ( 0.000 6.924 -1.614) 7.110 5.498 ( 0.000 20.492 -1.240) 20.530 8.302 ( 0.000 4.873 -6.478) 8.106 8.370 ( 0.000 11.276 -0.489) 11.286 10.213 ( -0.000 -1.899 7.648) 7.880 10.335 ( -0.000 1.740 0.223) 1.754 11.717 ( -0.000 -36.325 3.005) 36.449 14.757 ( 0.000 6.861 -6.457) 9.421 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -0.000 0.000 14.733) 14.733 1.099 ( -0.000 0.000 14.733) 14.733 1.899 ( 0.000 -0.000 -6.520) 6.520 1.899 ( 0.000 -0.000 -6.520) 6.520 2.412 ( -0.000 0.000 35.321) 35.321 4.509 ( 0.000 -0.000 -20.417) 20.417 7.040 ( -0.000 0.000 2.416) 2.416 7.040 ( -0.000 0.000 2.416) 2.416 10.759 ( 0.000 -0.000 -1.352) 1.352 10.759 ( 0.000 -0.000 -1.352) 1.352 14.197 ( -0.000 0.000 1.557) 1.557 14.306 ( 0.000 -0.000 -1.066) 1.066 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 9.265 5.349 13.838) 17.491 1.490 ( 23.080 13.325 12.937) 29.625 1.912 ( 2.733 1.578 -6.450) 7.181 2.003 ( 11.209 6.472 -7.946) 15.188 2.556 ( 4.397 2.539 29.957) 30.384 4.237 ( -12.481 -7.206 -15.374) 21.072 7.099 ( 4.519 2.609 2.090) 5.622 7.823 ( 55.270 31.910 -7.262) 64.232 10.447 ( -24.838 -14.340 -1.556) 28.722 10.724 ( -2.765 -1.596 -1.353) 3.467 14.156 ( -4.793 -2.768 3.982) 6.819 14.318 ( 1.573 0.908 -4.542) 4.892 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 13.805 7.970 12.086) 20.005 1.938 ( 9.891 5.710 15.197) 19.010 1.987 ( 5.940 3.429 -6.868) 9.706 2.406 ( 25.566 14.761 -7.839) 30.545 2.828 ( 13.949 8.053 17.686) 23.921 3.992 ( -4.768 -2.753 -12.044) 13.243 7.255 ( 8.697 5.021 1.753) 10.195 8.986 ( 40.575 23.426 -2.530) 46.920 9.795 ( -25.542 -14.746 -8.520) 30.699 10.632 ( -4.818 -2.781 -1.371) 5.729 14.000 ( -10.974 -6.336 7.468) 14.709 14.322 ( 0.797 0.460 -9.058) 9.105 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 9.714 5.608 8.613) 14.141 2.128 ( 5.182 2.992 13.503) 14.769 2.167 ( 12.345 7.127 -5.277) 15.200 2.896 ( 16.145 9.322 -0.253) 18.645 3.263 ( 19.129 11.044 -1.028) 22.113 4.004 ( 10.446 6.031 -4.785) 12.977 7.497 ( 12.107 6.990 1.565) 14.067 8.970 ( -25.583 -14.770 9.457) 31.017 9.917 ( 23.793 13.737 -17.005) 32.310 10.510 ( -5.333 -3.079 -1.396) 6.314 13.674 ( -19.773 -11.416 4.046) 23.188 14.336 ( 3.023 1.745 -4.993) 6.092 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 5.653 3.264 3.029) 7.196 2.297 ( 6.745 3.894 11.153) 13.604 2.486 ( 15.353 8.864 -1.118) 17.763 3.098 ( 2.886 1.666 -4.779) 5.827 3.611 ( 13.835 7.988 -3.589) 16.374 4.444 ( 25.379 14.653 0.985) 29.322 7.799 ( 13.770 7.950 1.479) 15.969 8.502 ( -16.595 -9.581 7.457) 20.562 10.230 ( 8.102 4.677 -11.827) 15.080 10.397 ( -4.015 -2.318 -1.337) 4.825 13.138 ( -27.572 -15.919 -1.113) 31.857 14.435 ( 5.885 3.398 1.686) 7.002 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 4.499 2.597 0.858) 5.265 2.495 ( 7.946 4.587 7.605) 11.917 2.814 ( 13.385 7.728 -0.006) 15.456 3.068 ( -2.451 -1.415 -8.005) 8.491 3.886 ( 10.507 6.066 0.150) 12.134 5.021 ( 23.843 13.766 1.234) 27.560 8.109 ( 12.857 7.423 1.218) 14.895 8.282 ( -4.995 -2.884 7.686) 9.609 10.270 ( -0.244 -0.141 -9.720) 9.724 10.332 ( -1.245 -0.719 -1.001) 1.752 12.451 ( -31.784 -18.351 -3.493) 36.867 14.593 ( 6.718 3.879 5.446) 9.478 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -0.000 13.273 10.087) 16.671 1.472 ( -0.000 26.096 13.526) 29.393 1.883 ( 0.000 2.527 -6.658) 7.121 1.989 ( 0.000 12.988 -7.398) 14.947 2.640 ( -0.000 3.571 27.891) 28.119 4.191 ( 0.000 -13.669 -15.198) 20.440 7.105 ( -0.000 5.329 1.827) 5.633 7.799 ( 0.000 61.599 -5.422) 61.837 10.469 ( 0.000 -25.717 -2.809) 25.870 10.714 ( 0.000 -3.590 -0.886) 3.698 14.158 ( -0.000 -6.576 4.245) 7.827 14.303 ( 0.000 1.301 -4.102) 4.304 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 5.147 16.595 10.200) 20.148 1.892 ( 10.139 14.555 13.713) 22.421 1.928 ( 4.021 4.977 -6.879) 9.395 2.225 ( 12.707 22.515 -9.162) 27.429 2.807 ( 5.393 8.102 19.856) 22.113 3.991 ( -3.939 -6.594 -12.242) 14.452 7.216 ( 4.560 8.201 1.441) 9.493 8.671 ( 29.696 48.746 -4.285) 57.239 9.993 ( -19.730 -27.044 -5.662) 33.952 10.654 ( -2.086 -4.515 -0.976) 5.069 14.055 ( -4.085 -11.553 7.282) 14.255 14.305 ( -0.038 2.040 -7.693) 7.959 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 6.306 12.837 9.793) 17.334 2.060 ( 7.961 8.917 -4.790) 12.878 2.135 ( 4.628 7.161 8.061) 11.734 2.720 ( 17.636 17.872 -2.334) 25.217 3.115 ( 12.854 13.641 5.426) 19.513 3.924 ( 3.458 3.884 -6.887) 8.630 7.425 ( 8.178 11.395 1.255) 14.082 9.206 ( -15.392 -17.980 12.590) 26.809 9.657 ( 17.180 20.889 -19.157) 33.143 10.555 ( -3.991 -4.064 -1.225) 5.826 13.811 ( -11.353 -16.762 5.219) 20.906 14.310 ( 0.933 3.196 -6.060) 6.914 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 3.227 7.473 3.431) 8.833 2.268 ( 5.562 5.087 8.352) 11.250 2.389 ( 11.190 16.525 -0.991) 19.982 3.032 ( 6.481 4.296 -2.383) 8.133 3.464 ( 12.797 11.374 -2.999) 17.382 4.218 ( 19.178 16.977 -0.201) 25.614 7.714 ( 10.256 14.192 1.331) 17.561 8.701 ( -18.123 -16.125 6.324) 25.069 10.079 ( 12.544 9.288 -9.014) 18.024 10.443 ( -4.420 -2.841 -1.452) 5.451 13.366 ( -20.293 -20.166 -0.479) 28.613 14.378 ( 4.428 3.225 0.239) 5.483 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 2.343 7.091 0.977) 7.532 2.445 ( 6.521 5.493 6.621) 10.796 2.739 ( 10.181 16.581 0.212) 19.459 3.062 ( -0.860 -1.297 -5.719) 5.927 3.767 ( 11.442 8.599 -0.256) 14.316 4.774 ( 23.120 17.761 0.625) 29.161 8.040 ( 9.814 15.562 1.492) 18.459 8.379 ( -8.640 -7.038 7.399) 13.377 10.220 ( 2.902 0.494 -7.462) 8.021 10.352 ( -2.783 -1.581 -1.223) 3.426 12.749 ( -26.972 -21.244 -4.090) 34.576 14.511 ( 7.132 1.494 4.772) 8.710 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -0.000 17.347 7.008) 18.709 1.916 ( 0.000 5.213 -7.323) 8.989 2.009 ( -0.000 15.056 11.660) 19.044 2.353 ( 0.000 29.400 -6.523) 30.115 2.909 ( -0.000 11.299 15.229) 18.963 3.927 ( 0.000 -4.192 -10.178) 11.008 7.269 ( -0.000 10.436 0.861) 10.472 8.928 ( -0.000 47.866 1.505) 47.890 9.850 ( 0.000 -28.756 -11.970) 31.147 10.614 ( 0.000 -5.963 -0.210) 5.966 13.977 ( -0.000 -16.225 8.744) 18.431 14.311 ( 0.000 3.610 -7.843) 8.634 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 3.326 10.895 7.932) 13.881 2.019 ( 6.844 13.514 -7.647) 16.969 2.172 ( 2.283 8.558 5.641) 10.501 2.699 ( 8.014 23.647 -0.591) 24.975 3.124 ( 5.498 15.911 5.178) 17.613 3.908 ( 1.712 5.909 -5.553) 8.288 7.433 ( 5.463 13.163 0.453) 14.258 9.237 ( -5.905 -18.051 11.523) 22.214 9.636 ( 5.088 22.469 -19.029) 29.880 10.546 ( -1.058 -5.840 -0.323) 5.944 13.781 ( -5.045 -21.082 7.940) 23.085 14.326 ( -0.294 4.962 -7.254) 8.794 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 3.620 7.021 1.650) 8.069 2.266 ( 3.995 8.227 3.230) 9.699 2.382 ( 10.280 18.133 -0.686) 20.855 2.980 ( 5.351 7.686 0.346) 9.371 3.402 ( 8.413 14.774 -1.753) 17.091 4.136 ( 11.542 19.989 -0.544) 23.088 7.707 ( 9.266 16.488 0.439) 18.919 8.805 ( -13.800 -21.512 1.599) 25.608 9.984 ( 9.059 14.744 -4.652) 17.919 10.465 ( -2.372 -4.447 -0.694) 5.088 13.428 ( -12.394 -24.438 3.151) 27.582 14.363 ( 1.189 4.605 -2.996) 5.621 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 2.878 8.472 0.346) 8.954 2.417 ( 5.225 6.437 2.729) 8.729 2.758 ( 10.296 20.323 0.247) 22.783 3.044 ( 0.135 -0.702 -2.237) 2.349 3.685 ( 9.421 11.679 -0.095) 15.005 4.615 ( 18.022 22.178 0.122) 28.578 8.054 ( 10.053 19.045 0.749) 21.548 8.456 ( -8.377 -10.919 3.111) 14.110 10.160 ( 3.499 2.934 -2.813) 5.363 10.378 ( -2.893 -2.983 -0.598) 4.198 12.911 ( -19.673 -24.955 -1.952) 31.837 14.436 ( 3.883 1.530 2.000) 4.628 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.000 4.954 0.009) 4.954 2.108 ( 0.000 19.750 -1.867) 19.838 2.247 ( -0.000 7.627 1.575) 7.787 2.858 ( -0.000 18.206 2.649) 18.398 3.256 ( 0.000 17.741 0.532) 17.749 3.975 ( 0.000 15.158 -2.150) 15.309 7.516 ( 0.000 14.366 -0.373) 14.371 9.080 ( -0.000 -28.106 0.297) 28.108 9.805 ( 0.000 26.805 -7.436) 27.817 10.491 ( -0.000 -6.424 0.613) 6.453 13.623 ( -0.000 -25.251 8.797) 26.740 14.365 ( 0.000 6.654 -7.401) 9.952 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 4.030 5.490 -0.860) 6.865 2.313 ( 1.243 9.188 -1.458) 9.386 2.389 ( 8.477 17.520 -0.778) 19.478 3.006 ( 1.166 6.506 2.978) 7.250 3.456 ( 3.400 16.944 -1.090) 17.316 4.217 ( 5.182 25.598 -0.032) 26.117 7.724 ( 7.016 16.217 -0.747) 17.685 8.752 ( -6.311 -22.713 -4.521) 24.003 10.034 ( 2.381 14.870 0.625) 15.072 10.434 ( -0.131 -5.430 0.597) 5.464 13.334 ( -5.716 -28.671 6.363) 29.920 14.406 ( -0.747 6.815 -5.606) 8.856 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 0.000 5.404 -1.626) 5.643 2.375 ( 0.000 7.499 -5.594) 9.355 2.482 ( 0.000 18.373 -0.130) 18.373 3.053 ( -0.000 1.704 4.526) 4.836 3.596 ( 0.000 16.898 -0.092) 16.899 4.449 ( 0.000 29.760 -0.133) 29.760 7.812 ( 0.000 15.972 -1.351) 16.029 8.574 ( 0.000 -18.748 -8.081) 20.415 10.151 ( -0.000 9.044 5.330) 10.498 10.385 ( -0.000 -4.642 1.235) 4.803 13.102 ( -0.000 -32.357 6.452) 32.994 14.471 ( 0.000 8.032 -6.147) 10.115 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -0.000 0.000 10.654) 10.654 1.216 ( -0.000 0.000 10.654) 10.654 1.842 ( 0.000 -0.000 -5.673) 5.673 1.842 ( 0.000 -0.000 -5.673) 5.673 2.697 ( -0.000 0.000 26.496) 26.496 4.333 ( 0.000 -0.000 -17.535) 17.535 7.059 ( -0.000 0.000 1.603) 1.603 7.059 ( -0.000 0.000 1.603) 1.603 10.748 ( 0.000 -0.000 -0.900) 0.900 10.748 ( 0.000 -0.000 -0.900) 0.900 14.210 ( -0.000 0.000 1.249) 1.249 14.297 ( 0.000 -0.000 -0.926) 0.926 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 9.285 5.361 10.391) 14.930 1.591 ( 24.729 14.277 8.881) 29.904 1.856 ( 2.503 1.445 -5.437) 6.158 1.932 ( 9.394 5.424 -6.958) 12.887 2.790 ( 2.357 1.361 20.499) 20.679 4.104 ( -10.973 -6.336 -12.655) 17.908 7.114 ( 4.488 2.591 1.223) 5.324 7.776 ( 52.431 30.271 -3.382) 60.637 10.438 ( -25.126 -14.506 -0.514) 29.017 10.714 ( -2.830 -1.634 -0.901) 3.389 14.192 ( -2.826 -1.632 3.814) 5.020 14.278 ( -0.971 -0.561 -4.206) 4.353 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 13.848 7.995 10.513) 19.137 1.925 ( 5.410 3.124 -6.607) 9.093 2.051 ( 8.867 5.119 9.247) 13.796 2.336 ( 28.885 16.677 -6.652) 34.011 2.961 ( 9.223 5.325 10.452) 14.921 3.897 ( -3.381 -1.952 -7.827) 8.746 7.268 ( 8.724 5.037 0.977) 10.121 8.964 ( 47.246 27.277 -2.234) 54.601 9.750 ( -32.149 -18.561 -1.315) 37.145 10.621 ( -4.898 -2.828 -0.952) 5.735 14.052 ( -11.612 -6.704 3.223) 13.791 14.256 ( 1.253 0.723 -4.618) 4.839 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 6.683 3.858 6.863) 10.327 2.122 ( 14.901 8.603 -4.103) 17.689 2.222 ( 5.564 3.212 6.909) 9.434 2.882 ( 16.840 9.723 -2.470) 19.602 3.259 ( 14.674 8.472 -0.222) 16.945 3.973 ( 13.241 7.645 -1.740) 15.389 7.509 ( 12.200 7.044 1.042) 14.126 9.048 ( -27.215 -15.713 6.871) 32.168 9.805 ( 25.813 14.903 -6.955) 30.607 10.498 ( -5.409 -3.123 -1.081) 6.339 13.679 ( -21.106 -12.185 -3.049) 24.561 14.321 ( 4.808 2.776 1.821) 5.842 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -0.000 12.515 4.438) 13.279 1.581 ( -0.000 27.904 9.861) 29.595 1.833 ( 0.000 2.145 -3.862) 4.418 1.925 ( 0.000 11.067 -6.170) 12.670 2.844 ( -0.000 2.028 15.828) 15.958 4.070 ( 0.000 -12.235 -10.078) 15.851 7.117 ( -0.000 5.241 0.887) 5.315 7.766 ( 0.000 59.496 -2.126) 59.534 10.449 ( 0.000 -27.541 -1.729) 27.595 10.708 ( 0.000 -3.481 -0.308) 3.494 14.196 ( -0.000 -3.796 4.035) 5.540 14.267 ( 0.000 -1.370 -3.769) 4.010 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 7.309 16.060 4.984) 18.335 1.874 ( 2.892 3.577 -3.904) 6.033 2.005 ( 8.317 12.137 10.138) 17.868 2.140 ( 14.624 26.628 -8.589) 31.570 2.941 ( 3.523 5.740 8.219) 10.626 3.905 ( -3.351 -5.718 -5.613) 8.685 7.225 ( 4.621 8.110 0.504) 9.348 8.646 ( 30.156 51.377 -1.384) 59.589 9.959 ( -19.373 -31.171 -1.863) 36.748 10.648 ( -2.364 -4.413 -0.338) 5.018 14.112 ( -4.773 -10.679 4.445) 12.514 14.245 ( -0.052 1.522 -4.573) 4.820 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 4.313 9.244 8.233) 13.109 2.001 ( 10.875 12.706 -6.579) 17.972 2.189 ( 5.020 5.645 2.319) 7.903 2.701 ( 18.242 19.635 -1.336) 26.834 3.146 ( 9.554 10.563 0.634) 14.257 3.886 ( 4.919 5.319 -1.046) 7.320 7.433 ( 8.373 11.351 0.432) 14.112 9.295 ( -22.697 -26.120 2.903) 34.725 9.541 ( 25.707 28.475 -2.343) 38.434 10.547 ( -4.231 -4.056 -0.492) 5.882 13.828 ( -13.779 -15.947 -1.859) 21.157 14.286 ( 3.006 2.885 1.073) 4.302 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.000 18.073 -3.502) 18.409 1.881 ( -0.000 4.097 1.281) 4.293 2.084 ( -0.000 10.240 3.151) 10.713 2.309 ( 0.000 34.498 -1.662) 34.538 2.997 ( -0.000 8.864 3.103) 9.391 3.868 ( 0.000 -3.244 -1.955) 3.787 7.272 ( 0.000 10.212 -0.062) 10.212 8.945 ( -0.000 54.465 2.069) 54.505 9.770 ( 0.000 -36.454 -5.627) 36.885 10.615 ( -0.000 -5.795 0.398) 5.809 14.043 ( -0.000 -15.087 5.119) 15.932 14.254 ( 0.000 2.821 -3.948) 4.852 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -0.000 0.000 4.127) 4.127 1.285 ( -0.000 0.000 4.127) 4.127 1.803 ( 0.000 -0.000 -2.458) 2.458 1.803 ( 0.000 -0.000 -2.458) 2.458 2.872 ( -0.000 0.000 10.567) 10.567 4.213 ( 0.000 -0.000 -7.577) 7.577 7.069 ( -0.000 0.000 0.561) 0.561 7.069 ( -0.000 0.000 0.561) 0.561 10.743 ( 0.000 -0.000 -0.316) 0.316 10.743 ( 0.000 -0.000 -0.316) 0.316 14.218 ( -0.000 0.000 0.514) 0.514 14.290 ( 0.000 -0.000 -0.401) 0.401 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 5.20e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 10.032 5.792 3.892) 12.221 1.634 ( 26.221 15.139 -0.580) 30.283 1.822 ( 2.015 1.164 -1.635) 2.844 1.894 ( 7.661 4.423 -0.398) 8.855 2.904 ( 1.478 0.853 3.321) 3.734 4.031 ( -10.278 -5.934 -2.251) 12.080 7.121 ( 4.494 2.595 0.181) 5.193 7.759 ( 51.199 29.560 -0.533) 59.122 10.438 ( -24.789 -14.312 0.601) 28.630 10.708 ( -2.917 -1.684 -0.318) 3.383 14.221 ( 0.228 0.132 1.144) 1.174 14.246 ( -4.442 -2.565 -1.466) 5.334 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/58956 10.0 1255.912 1255.912 2830.923 0.000 -0.000 -0.000 3/58956 20.0 298.773 298.773 251.422 0.000 -0.000 0.000 3/58956 30.0 128.666 128.666 87.067 0.000 -0.000 0.000 3/58956 40.0 91.284 91.284 51.874 0.000 -0.000 0.000 3/58956 50.0 74.063 74.063 37.815 0.000 -0.000 0.000 3/58956 60.0 61.893 61.893 29.956 0.000 -0.000 0.000 3/58956 70.0 52.252 52.252 24.734 0.000 -0.000 0.000 3/58956 80.0 44.530 44.530 20.961 0.000 -0.000 0.000 3/58956 90.0 38.373 38.373 18.111 0.000 -0.000 0.000 3/58956 100.0 33.463 33.463 15.898 0.000 -0.000 0.000 3/58956 110.0 29.525 29.525 14.141 0.000 -0.000 0.000 3/58956 120.0 26.337 26.337 12.721 0.000 -0.000 0.000 3/58956 130.0 23.726 23.726 11.554 0.000 -0.000 0.000 3/58956 140.0 21.563 21.563 10.582 0.000 -0.000 0.000 3/58956 150.0 19.749 19.749 9.761 0.000 -0.000 0.000 3/58956 160.0 18.212 18.212 9.059 0.000 -0.000 0.000 3/58956 170.0 16.896 16.896 8.453 0.000 -0.000 0.000 3/58956 180.0 15.757 15.757 7.924 0.000 -0.000 0.000 3/58956 190.0 14.763 14.763 7.459 0.000 -0.000 0.000 3/58956 200.0 13.889 13.889 7.047 0.000 -0.000 0.000 3/58956 210.0 13.115 13.115 6.679 0.000 -0.000 0.000 3/58956 220.0 12.424 12.424 6.349 0.000 -0.000 0.000 3/58956 230.0 11.804 11.804 6.050 0.000 -0.000 0.000 3/58956 240.0 11.244 11.244 5.780 0.000 -0.000 0.000 3/58956 250.0 10.737 10.737 5.533 0.000 -0.000 0.000 3/58956 260.0 10.275 10.275 5.306 0.000 -0.000 0.000 3/58956 270.0 9.852 9.852 5.098 0.000 -0.000 0.000 3/58956 280.0 9.463 9.463 4.906 0.000 -0.000 0.000 3/58956 290.0 9.105 9.105 4.729 0.000 -0.000 0.000 3/58956 300.0 8.774 8.774 4.564 0.000 -0.000 0.000 3/58956 310.0 8.466 8.466 4.410 0.000 -0.000 0.000 3/58956 320.0 8.181 8.181 4.267 0.000 -0.000 0.000 3/58956 330.0 7.914 7.914 4.133 0.000 -0.000 0.000 3/58956 340.0 7.664 7.664 4.007 0.000 -0.000 0.000 3/58956 350.0 7.431 7.431 3.889 0.000 -0.000 0.000 3/58956 360.0 7.211 7.211 3.777 0.000 -0.000 0.000 3/58956 370.0 7.004 7.004 3.672 0.000 -0.000 0.000 3/58956 380.0 6.809 6.809 3.573 0.000 -0.000 0.000 3/58956 390.0 6.625 6.625 3.479 0.000 -0.000 0.000 3/58956 400.0 6.451 6.451 3.390 0.000 -0.000 0.000 3/58956 410.0 6.286 6.286 3.305 0.000 -0.000 0.000 3/58956 420.0 6.130 6.130 3.225 0.000 -0.000 0.000 3/58956 430.0 5.981 5.981 3.148 0.000 -0.000 0.000 3/58956 440.0 5.839 5.839 3.075 0.000 -0.000 0.000 3/58956 450.0 5.704 5.704 3.006 0.000 -0.000 0.000 3/58956 460.0 5.575 5.575 2.939 0.000 -0.000 0.000 3/58956 470.0 5.452 5.452 2.876 0.000 -0.000 0.000 3/58956 480.0 5.335 5.335 2.815 0.000 -0.000 0.000 3/58956 490.0 5.222 5.222 2.757 0.000 -0.000 0.000 3/58956 500.0 5.115 5.115 2.701 0.000 -0.000 0.000 3/58956 510.0 5.011 5.011 2.647 0.000 -0.000 0.000 3/58956 520.0 4.912 4.912 2.596 0.000 -0.000 0.000 3/58956 530.0 4.817 4.817 2.546 0.000 -0.000 0.000 3/58956 540.0 4.725 4.725 2.498 0.000 -0.000 0.000 3/58956 550.0 4.637 4.637 2.452 0.000 -0.000 0.000 3/58956 560.0 4.552 4.552 2.408 0.000 -0.000 0.000 3/58956 570.0 4.471 4.471 2.366 0.000 -0.000 0.000 3/58956 580.0 4.392 4.392 2.324 0.000 -0.000 0.000 3/58956 590.0 4.316 4.316 2.285 0.000 -0.000 0.000 3/58956 600.0 4.242 4.242 2.246 0.000 -0.000 0.000 3/58956 610.0 4.171 4.171 2.209 0.000 -0.000 0.000 3/58956 620.0 4.103 4.103 2.173 0.000 -0.000 0.000 3/58956 630.0 4.036 4.036 2.138 0.000 -0.000 0.000 3/58956 640.0 3.972 3.972 2.105 0.000 -0.000 0.000 3/58956 650.0 3.910 3.910 2.072 0.000 -0.000 0.000 3/58956 660.0 3.850 3.850 2.041 0.000 -0.000 0.000 3/58956 670.0 3.791 3.791 2.010 0.000 -0.000 0.000 3/58956 680.0 3.735 3.735 1.980 0.000 -0.000 0.000 3/58956 690.0 3.680 3.680 1.951 0.000 -0.000 0.000 3/58956 700.0 3.626 3.626 1.923 0.000 -0.000 0.000 3/58956 710.0 3.575 3.575 1.896 0.000 -0.000 0.000 3/58956 720.0 3.524 3.524 1.870 0.000 -0.000 0.000 3/58956 730.0 3.475 3.475 1.844 0.000 -0.000 0.000 3/58956 740.0 3.428 3.428 1.819 0.000 -0.000 0.000 3/58956 750.0 3.382 3.382 1.795 0.000 -0.000 0.000 3/58956 760.0 3.337 3.337 1.771 0.000 -0.000 0.000 3/58956 770.0 3.293 3.293 1.748 0.000 -0.000 0.000 3/58956 780.0 3.250 3.250 1.725 0.000 -0.000 0.000 3/58956 790.0 3.208 3.208 1.703 0.000 -0.000 0.000 3/58956 800.0 3.168 3.168 1.682 0.000 -0.000 0.000 3/58956 810.0 3.128 3.128 1.661 0.000 -0.000 0.000 3/58956 820.0 3.090 3.090 1.641 0.000 -0.000 0.000 3/58956 830.0 3.052 3.052 1.621 0.000 -0.000 0.000 3/58956 840.0 3.016 3.016 1.602 0.000 -0.000 0.000 3/58956 850.0 2.980 2.980 1.583 0.000 -0.000 0.000 3/58956 860.0 2.945 2.945 1.564 0.000 -0.000 0.000 3/58956 870.0 2.911 2.911 1.546 0.000 -0.000 0.000 3/58956 880.0 2.877 2.877 1.529 0.000 -0.000 0.000 3/58956 890.0 2.845 2.845 1.511 0.000 -0.000 0.000 3/58956 900.0 2.813 2.813 1.495 0.000 -0.000 0.000 3/58956 910.0 2.782 2.782 1.478 0.000 -0.000 0.000 3/58956 920.0 2.751 2.751 1.462 0.000 -0.000 0.000 3/58956 930.0 2.722 2.722 1.446 0.000 -0.000 0.000 3/58956 940.0 2.692 2.692 1.431 0.000 -0.000 0.000 3/58956 950.0 2.664 2.664 1.416 0.000 -0.000 0.000 3/58956 960.0 2.636 2.636 1.401 0.000 -0.000 0.000 3/58956 970.0 2.609 2.609 1.387 0.000 -0.000 0.000 3/58956 980.0 2.582 2.582 1.372 0.000 -0.000 0.000 3/58956 990.0 2.556 2.556 1.358 0.000 -0.000 0.000 3/58956 1000.0 2.530 2.530 1.345 0.000 -0.000 0.000 3/58956 Thermal conductivity related properties were written into "kappa-m171717.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:24:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|