----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:26:34]------------------------- 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: [4 4 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3m (160) Number of symmetry operations in supercell: 288 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.635384429422564 0.944189640555638 6.530927866666660 b -1.635384429422561 0.944189640555638 6.530927866666660 c 0.000000000000002 -1.888379281111279 6.530927866666660 Atomic positions (fractional): *1 Se 0.41836792773791 0.41836792773791 0.41836792773791 78.960 *2 Se 0.24849878530871 0.24849878530871 0.24849878530871 78.960 *3 Mo 0.66679995695339 0.66679995695339 0.66679995695339 95.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.270768858845125 0.000000000000000 0.000000000000000 b -1.635384429422563 2.832568921666917 0.000000000000000 c 0.000000000000000 0.000000000000000 19.592783600000001 Atomic positions (fractional): *1 Se 0.33333333333333 0.66666666666667 0.08503459440458 78.960 > 1 *2 Se 0.00000000000000 0.00000000000000 0.24849878530871 78.960 > 2 3 Se 0.00000000000000 0.00000000000000 0.41836792773791 78.960 > 1 4 Se 0.66666666666667 0.33333333333333 0.58183211864204 78.960 > 2 5 Se 0.66666666666667 0.33333333333333 0.75170126107124 78.960 > 1 6 Se 0.33333333333333 0.66666666666667 0.91516545197538 78.960 > 2 *7 Mo 0.66666666666667 0.33333333333333 0.00013329028673 95.960 > 3 8 Mo 0.33333333333333 0.66666666666667 0.33346662362006 95.960 > 3 9 Mo 0.00000000000000 0.00000000000000 0.66679995695339 95.960 > 3 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.083075435380501 0.000000000000000 0.000000000000000 b -6.541537717690252 11.330275686667669 0.000000000000000 c 0.000000000000000 0.000000000000000 19.592783600000001 Atomic positions (fractional): *1 Se 0.08333333333333 0.16666666666667 0.08503459440458 78.960 > 1 2 Se 0.33333333333333 0.16666666666667 0.08503459440458 78.960 > 1 3 Se 0.58333333333333 0.16666666666667 0.08503459440458 78.960 > 1 4 Se 0.83333333333333 0.16666666666667 0.08503459440458 78.960 > 1 5 Se 0.08333333333333 0.41666666666667 0.08503459440458 78.960 > 1 6 Se 0.33333333333333 0.41666666666667 0.08503459440458 78.960 > 1 7 Se 0.58333333333333 0.41666666666667 0.08503459440458 78.960 > 1 8 Se 0.83333333333333 0.41666666666667 0.08503459440458 78.960 > 1 9 Se 0.08333333333333 0.66666666666667 0.08503459440458 78.960 > 1 10 Se 0.33333333333333 0.66666666666667 0.08503459440458 78.960 > 1 11 Se 0.58333333333333 0.66666666666667 0.08503459440458 78.960 > 1 12 Se 0.83333333333333 0.66666666666667 0.08503459440458 78.960 > 1 13 Se 0.08333333333333 0.91666666666667 0.08503459440458 78.960 > 1 14 Se 0.33333333333333 0.91666666666667 0.08503459440458 78.960 > 1 15 Se 0.58333333333333 0.91666666666667 0.08503459440458 78.960 > 1 16 Se 0.83333333333333 0.91666666666667 0.08503459440458 78.960 > 1 *17 Se 0.00000000000000 0.00000000000000 0.24849878530871 78.960 > 2 18 Se 0.25000000000000 0.00000000000000 0.24849878530871 78.960 > 2 19 Se 0.50000000000000 0.00000000000000 0.24849878530871 78.960 > 2 20 Se 0.75000000000000 0.00000000000000 0.24849878530871 78.960 > 2 21 Se 0.00000000000000 0.25000000000000 0.24849878530871 78.960 > 2 22 Se 0.25000000000000 0.25000000000000 0.24849878530871 78.960 > 2 23 Se 0.50000000000000 0.25000000000000 0.24849878530871 78.960 > 2 24 Se 0.75000000000000 0.25000000000000 0.24849878530871 78.960 > 2 25 Se 0.00000000000000 0.50000000000000 0.24849878530871 78.960 > 2 26 Se 0.25000000000000 0.50000000000000 0.24849878530871 78.960 > 2 27 Se 0.50000000000000 0.50000000000000 0.24849878530871 78.960 > 2 28 Se 0.75000000000000 0.50000000000000 0.24849878530871 78.960 > 2 29 Se 0.00000000000000 0.75000000000000 0.24849878530871 78.960 > 2 30 Se 0.25000000000000 0.75000000000000 0.24849878530871 78.960 > 2 31 Se 0.50000000000000 0.75000000000000 0.24849878530871 78.960 > 2 32 Se 0.75000000000000 0.75000000000000 0.24849878530871 78.960 > 2 33 Se 0.00000000000000 0.00000000000000 0.41836792773791 78.960 > 1 34 Se 0.25000000000000 0.00000000000000 0.41836792773791 78.960 > 1 35 Se 0.50000000000000 0.00000000000000 0.41836792773791 78.960 > 1 36 Se 0.75000000000000 0.00000000000000 0.41836792773791 78.960 > 1 37 Se 0.00000000000000 0.25000000000000 0.41836792773791 78.960 > 1 38 Se 0.25000000000000 0.25000000000000 0.41836792773791 78.960 > 1 39 Se 0.50000000000000 0.25000000000000 0.41836792773791 78.960 > 1 40 Se 0.75000000000000 0.25000000000000 0.41836792773791 78.960 > 1 41 Se 0.00000000000000 0.50000000000000 0.41836792773791 78.960 > 1 42 Se 0.25000000000000 0.50000000000000 0.41836792773791 78.960 > 1 43 Se 0.50000000000000 0.50000000000000 0.41836792773791 78.960 > 1 44 Se 0.75000000000000 0.50000000000000 0.41836792773791 78.960 > 1 45 Se 0.00000000000000 0.75000000000000 0.41836792773791 78.960 > 1 46 Se 0.25000000000000 0.75000000000000 0.41836792773791 78.960 > 1 47 Se 0.50000000000000 0.75000000000000 0.41836792773791 78.960 > 1 48 Se 0.75000000000000 0.75000000000000 0.41836792773791 78.960 > 1 49 Se 0.16666666666667 0.08333333333333 0.58183211864204 78.960 > 2 50 Se 0.41666666666667 0.08333333333333 0.58183211864204 78.960 > 2 51 Se 0.66666666666667 0.08333333333333 0.58183211864204 78.960 > 2 52 Se 0.91666666666667 0.08333333333333 0.58183211864204 78.960 > 2 53 Se 0.16666666666667 0.33333333333333 0.58183211864204 78.960 > 2 54 Se 0.41666666666667 0.33333333333333 0.58183211864204 78.960 > 2 55 Se 0.66666666666667 0.33333333333333 0.58183211864204 78.960 > 2 56 Se 0.91666666666667 0.33333333333333 0.58183211864204 78.960 > 2 57 Se 0.16666666666667 0.58333333333333 0.58183211864204 78.960 > 2 58 Se 0.41666666666667 0.58333333333333 0.58183211864204 78.960 > 2 59 Se 0.66666666666667 0.58333333333333 0.58183211864204 78.960 > 2 60 Se 0.91666666666667 0.58333333333333 0.58183211864204 78.960 > 2 61 Se 0.16666666666667 0.83333333333333 0.58183211864204 78.960 > 2 62 Se 0.41666666666667 0.83333333333333 0.58183211864204 78.960 > 2 63 Se 0.66666666666667 0.83333333333333 0.58183211864204 78.960 > 2 64 Se 0.91666666666667 0.83333333333333 0.58183211864204 78.960 > 2 65 Se 0.16666666666667 0.08333333333333 0.75170126107124 78.960 > 1 66 Se 0.41666666666667 0.08333333333333 0.75170126107124 78.960 > 1 67 Se 0.66666666666667 0.08333333333333 0.75170126107124 78.960 > 1 68 Se 0.91666666666667 0.08333333333333 0.75170126107124 78.960 > 1 69 Se 0.16666666666667 0.33333333333333 0.75170126107124 78.960 > 1 70 Se 0.41666666666667 0.33333333333333 0.75170126107124 78.960 > 1 71 Se 0.66666666666667 0.33333333333333 0.75170126107124 78.960 > 1 72 Se 0.91666666666667 0.33333333333333 0.75170126107124 78.960 > 1 73 Se 0.16666666666667 0.58333333333333 0.75170126107124 78.960 > 1 74 Se 0.41666666666667 0.58333333333333 0.75170126107124 78.960 > 1 75 Se 0.66666666666667 0.58333333333333 0.75170126107124 78.960 > 1 76 Se 0.91666666666667 0.58333333333333 0.75170126107124 78.960 > 1 77 Se 0.16666666666667 0.83333333333333 0.75170126107124 78.960 > 1 78 Se 0.41666666666667 0.83333333333333 0.75170126107124 78.960 > 1 79 Se 0.66666666666667 0.83333333333333 0.75170126107124 78.960 > 1 80 Se 0.91666666666667 0.83333333333333 0.75170126107124 78.960 > 1 81 Se 0.08333333333333 0.16666666666667 0.91516545197538 78.960 > 2 82 Se 0.33333333333333 0.16666666666667 0.91516545197538 78.960 > 2 83 Se 0.58333333333333 0.16666666666667 0.91516545197538 78.960 > 2 84 Se 0.83333333333333 0.16666666666667 0.91516545197538 78.960 > 2 85 Se 0.08333333333333 0.41666666666667 0.91516545197538 78.960 > 2 86 Se 0.33333333333333 0.41666666666667 0.91516545197538 78.960 > 2 87 Se 0.58333333333333 0.41666666666667 0.91516545197538 78.960 > 2 88 Se 0.83333333333333 0.41666666666667 0.91516545197538 78.960 > 2 89 Se 0.08333333333333 0.66666666666667 0.91516545197538 78.960 > 2 90 Se 0.33333333333333 0.66666666666667 0.91516545197538 78.960 > 2 91 Se 0.58333333333333 0.66666666666667 0.91516545197538 78.960 > 2 92 Se 0.83333333333333 0.66666666666667 0.91516545197538 78.960 > 2 93 Se 0.08333333333333 0.91666666666667 0.91516545197538 78.960 > 2 94 Se 0.33333333333333 0.91666666666667 0.91516545197538 78.960 > 2 95 Se 0.58333333333333 0.91666666666667 0.91516545197538 78.960 > 2 96 Se 0.83333333333333 0.91666666666667 0.91516545197538 78.960 > 2 *97 Mo 0.16666666666667 0.08333333333333 0.00013329028673 95.960 > 3 98 Mo 0.41666666666667 0.08333333333333 0.00013329028673 95.960 > 3 99 Mo 0.66666666666667 0.08333333333333 0.00013329028673 95.960 > 3 100 Mo 0.91666666666667 0.08333333333333 0.00013329028673 95.960 > 3 101 Mo 0.16666666666667 0.33333333333333 0.00013329028673 95.960 > 3 102 Mo 0.41666666666667 0.33333333333333 0.00013329028673 95.960 > 3 103 Mo 0.66666666666667 0.33333333333333 0.00013329028673 95.960 > 3 104 Mo 0.91666666666667 0.33333333333333 0.00013329028673 95.960 > 3 105 Mo 0.16666666666667 0.58333333333333 0.00013329028673 95.960 > 3 106 Mo 0.41666666666667 0.58333333333333 0.00013329028673 95.960 > 3 107 Mo 0.66666666666667 0.58333333333333 0.00013329028673 95.960 > 3 108 Mo 0.91666666666667 0.58333333333333 0.00013329028673 95.960 > 3 109 Mo 0.16666666666667 0.83333333333333 0.00013329028673 95.960 > 3 110 Mo 0.41666666666667 0.83333333333333 0.00013329028673 95.960 > 3 111 Mo 0.66666666666667 0.83333333333333 0.00013329028673 95.960 > 3 112 Mo 0.91666666666667 0.83333333333333 0.00013329028673 95.960 > 3 113 Mo 0.08333333333333 0.16666666666667 0.33346662362006 95.960 > 3 114 Mo 0.33333333333333 0.16666666666667 0.33346662362006 95.960 > 3 115 Mo 0.58333333333333 0.16666666666667 0.33346662362006 95.960 > 3 116 Mo 0.83333333333333 0.16666666666667 0.33346662362006 95.960 > 3 117 Mo 0.08333333333333 0.41666666666667 0.33346662362006 95.960 > 3 118 Mo 0.33333333333333 0.41666666666667 0.33346662362006 95.960 > 3 119 Mo 0.58333333333333 0.41666666666667 0.33346662362006 95.960 > 3 120 Mo 0.83333333333333 0.41666666666667 0.33346662362006 95.960 > 3 121 Mo 0.08333333333333 0.66666666666667 0.33346662362006 95.960 > 3 122 Mo 0.33333333333333 0.66666666666667 0.33346662362006 95.960 > 3 123 Mo 0.58333333333333 0.66666666666667 0.33346662362006 95.960 > 3 124 Mo 0.83333333333333 0.66666666666667 0.33346662362006 95.960 > 3 125 Mo 0.08333333333333 0.91666666666667 0.33346662362006 95.960 > 3 126 Mo 0.33333333333333 0.91666666666667 0.33346662362006 95.960 > 3 127 Mo 0.58333333333333 0.91666666666667 0.33346662362006 95.960 > 3 128 Mo 0.83333333333333 0.91666666666667 0.33346662362006 95.960 > 3 129 Mo 0.00000000000000 0.00000000000000 0.66679995695339 95.960 > 3 130 Mo 0.25000000000000 0.00000000000000 0.66679995695339 95.960 > 3 131 Mo 0.50000000000000 0.00000000000000 0.66679995695339 95.960 > 3 132 Mo 0.75000000000000 0.00000000000000 0.66679995695339 95.960 > 3 133 Mo 0.00000000000000 0.25000000000000 0.66679995695339 95.960 > 3 134 Mo 0.25000000000000 0.25000000000000 0.66679995695339 95.960 > 3 135 Mo 0.50000000000000 0.25000000000000 0.66679995695339 95.960 > 3 136 Mo 0.75000000000000 0.25000000000000 0.66679995695339 95.960 > 3 137 Mo 0.00000000000000 0.50000000000000 0.66679995695339 95.960 > 3 138 Mo 0.25000000000000 0.50000000000000 0.66679995695339 95.960 > 3 139 Mo 0.50000000000000 0.50000000000000 0.66679995695339 95.960 > 3 140 Mo 0.75000000000000 0.50000000000000 0.66679995695339 95.960 > 3 141 Mo 0.00000000000000 0.75000000000000 0.66679995695339 95.960 > 3 142 Mo 0.25000000000000 0.75000000000000 0.66679995695339 95.960 > 3 143 Mo 0.50000000000000 0.75000000000000 0.66679995695339 95.960 > 3 144 Mo 0.75000000000000 0.75000000000000 0.66679995695339 95.960 > 3 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.3013100 0.0000000 0.0000000 0.0000000 16.3013100 0.0000000 0.0000000 0.0000000 7.8640899 -------------------------- Born effective charges -------------------------- 1 Se 0.9207290 0.0000000 0.0000000 0.0000000 0.9207290 0.0000000 0.0000000 0.0000000 0.5637694 2 Se 0.9019438 0.0000000 0.0000000 0.0000000 0.9019438 0.0000000 0.0000000 0.0000000 0.4786393 3 Mo -1.8226728 -0.0000000 0.0000000 -0.0000000 -1.8226728 0.0000000 0.0000000 0.0000000 -1.0424087 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 2862/2862 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 363 Number of blocks in projector: 279 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: 156 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 135 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 72 Use standard eigh solver. Tree of FC basis block matrices: - (363, 357), data: False |-- (72, 69), data: True |-- (135, 135), data: True |-- (156, 153), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.016 Solver_block: 80 / 80 - Time: 0.291 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.310 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 2862/2862 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 363 Number of blocks in projector: 279 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: 156 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 135 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 72 Use standard eigh solver. Tree of FC basis block matrices: - (363, 357), data: False |-- (72, 69), data: True |-- (135, 135), data: True |-- (156, 153), 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 22:26:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:26:39]------------------------- 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): [4 4 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3m (160) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.635384429422564 0.944189640555638 6.530927866666660 b -1.635384429422561 0.944189640555638 6.530927866666660 c 0.000000000000002 -1.888379281111279 6.530927866666660 Atomic positions (fractional): 1 Se 0.41836792773791 0.41836792773791 0.41836792773791 78.960 2 Se 0.24849878530871 0.24849878530871 0.24849878530871 78.960 3 Mo 0.66679995695339 0.66679995695339 0.66679995695339 95.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.083075435380501 0.000000000000000 0.000000000000000 b -6.541537717690252 11.330275686667669 0.000000000000000 c 0.000000000000000 0.000000000000000 19.592783600000001 Atomic positions (fractional): 1 Se 0.08333333333333 0.16666666666667 0.08503459440458 78.960 > 1 2 Se 0.33333333333333 0.16666666666667 0.08503459440458 78.960 > 1 3 Se 0.58333333333333 0.16666666666667 0.08503459440458 78.960 > 1 4 Se 0.83333333333333 0.16666666666667 0.08503459440458 78.960 > 1 5 Se 0.08333333333333 0.41666666666667 0.08503459440458 78.960 > 1 6 Se 0.33333333333333 0.41666666666667 0.08503459440458 78.960 > 1 7 Se 0.58333333333333 0.41666666666667 0.08503459440458 78.960 > 1 8 Se 0.83333333333333 0.41666666666667 0.08503459440458 78.960 > 1 9 Se 0.08333333333333 0.66666666666667 0.08503459440458 78.960 > 1 10 Se 0.33333333333333 0.66666666666667 0.08503459440458 78.960 > 1 11 Se 0.58333333333333 0.66666666666667 0.08503459440458 78.960 > 1 12 Se 0.83333333333333 0.66666666666667 0.08503459440458 78.960 > 1 13 Se 0.08333333333333 0.91666666666667 0.08503459440458 78.960 > 1 14 Se 0.33333333333333 0.91666666666667 0.08503459440458 78.960 > 1 15 Se 0.58333333333333 0.91666666666667 0.08503459440458 78.960 > 1 16 Se 0.83333333333333 0.91666666666667 0.08503459440458 78.960 > 1 17 Se 0.00000000000000 0.00000000000000 0.24849878530871 78.960 > 17 18 Se 0.25000000000000 0.00000000000000 0.24849878530871 78.960 > 17 19 Se 0.50000000000000 0.00000000000000 0.24849878530871 78.960 > 17 20 Se 0.75000000000000 0.00000000000000 0.24849878530871 78.960 > 17 21 Se 0.00000000000000 0.25000000000000 0.24849878530871 78.960 > 17 22 Se 0.25000000000000 0.25000000000000 0.24849878530871 78.960 > 17 23 Se 0.50000000000000 0.25000000000000 0.24849878530871 78.960 > 17 24 Se 0.75000000000000 0.25000000000000 0.24849878530871 78.960 > 17 25 Se 0.00000000000000 0.50000000000000 0.24849878530871 78.960 > 17 26 Se 0.25000000000000 0.50000000000000 0.24849878530871 78.960 > 17 27 Se 0.50000000000000 0.50000000000000 0.24849878530871 78.960 > 17 28 Se 0.75000000000000 0.50000000000000 0.24849878530871 78.960 > 17 29 Se 0.00000000000000 0.75000000000000 0.24849878530871 78.960 > 17 30 Se 0.25000000000000 0.75000000000000 0.24849878530871 78.960 > 17 31 Se 0.50000000000000 0.75000000000000 0.24849878530871 78.960 > 17 32 Se 0.75000000000000 0.75000000000000 0.24849878530871 78.960 > 17 33 Se 0.00000000000000 0.00000000000000 0.41836792773791 78.960 > 1 34 Se 0.25000000000000 0.00000000000000 0.41836792773791 78.960 > 1 35 Se 0.50000000000000 0.00000000000000 0.41836792773791 78.960 > 1 36 Se 0.75000000000000 0.00000000000000 0.41836792773791 78.960 > 1 37 Se 0.00000000000000 0.25000000000000 0.41836792773791 78.960 > 1 38 Se 0.25000000000000 0.25000000000000 0.41836792773791 78.960 > 1 39 Se 0.50000000000000 0.25000000000000 0.41836792773791 78.960 > 1 40 Se 0.75000000000000 0.25000000000000 0.41836792773791 78.960 > 1 41 Se 0.00000000000000 0.50000000000000 0.41836792773791 78.960 > 1 42 Se 0.25000000000000 0.50000000000000 0.41836792773791 78.960 > 1 43 Se 0.50000000000000 0.50000000000000 0.41836792773791 78.960 > 1 44 Se 0.75000000000000 0.50000000000000 0.41836792773791 78.960 > 1 45 Se 0.00000000000000 0.75000000000000 0.41836792773791 78.960 > 1 46 Se 0.25000000000000 0.75000000000000 0.41836792773791 78.960 > 1 47 Se 0.50000000000000 0.75000000000000 0.41836792773791 78.960 > 1 48 Se 0.75000000000000 0.75000000000000 0.41836792773791 78.960 > 1 49 Se 0.16666666666667 0.08333333333333 0.58183211864204 78.960 > 17 50 Se 0.41666666666667 0.08333333333333 0.58183211864204 78.960 > 17 51 Se 0.66666666666667 0.08333333333333 0.58183211864204 78.960 > 17 52 Se 0.91666666666667 0.08333333333333 0.58183211864204 78.960 > 17 53 Se 0.16666666666667 0.33333333333333 0.58183211864204 78.960 > 17 54 Se 0.41666666666667 0.33333333333333 0.58183211864204 78.960 > 17 55 Se 0.66666666666667 0.33333333333333 0.58183211864204 78.960 > 17 56 Se 0.91666666666667 0.33333333333333 0.58183211864204 78.960 > 17 57 Se 0.16666666666667 0.58333333333333 0.58183211864204 78.960 > 17 58 Se 0.41666666666667 0.58333333333333 0.58183211864204 78.960 > 17 59 Se 0.66666666666667 0.58333333333333 0.58183211864204 78.960 > 17 60 Se 0.91666666666667 0.58333333333333 0.58183211864204 78.960 > 17 61 Se 0.16666666666667 0.83333333333333 0.58183211864204 78.960 > 17 62 Se 0.41666666666667 0.83333333333333 0.58183211864204 78.960 > 17 63 Se 0.66666666666667 0.83333333333333 0.58183211864204 78.960 > 17 64 Se 0.91666666666667 0.83333333333333 0.58183211864204 78.960 > 17 65 Se 0.16666666666667 0.08333333333333 0.75170126107124 78.960 > 1 66 Se 0.41666666666667 0.08333333333333 0.75170126107124 78.960 > 1 67 Se 0.66666666666667 0.08333333333333 0.75170126107124 78.960 > 1 68 Se 0.91666666666667 0.08333333333333 0.75170126107124 78.960 > 1 69 Se 0.16666666666667 0.33333333333333 0.75170126107124 78.960 > 1 70 Se 0.41666666666667 0.33333333333333 0.75170126107124 78.960 > 1 71 Se 0.66666666666667 0.33333333333333 0.75170126107124 78.960 > 1 72 Se 0.91666666666667 0.33333333333333 0.75170126107124 78.960 > 1 73 Se 0.16666666666667 0.58333333333333 0.75170126107124 78.960 > 1 74 Se 0.41666666666667 0.58333333333333 0.75170126107124 78.960 > 1 75 Se 0.66666666666667 0.58333333333333 0.75170126107124 78.960 > 1 76 Se 0.91666666666667 0.58333333333333 0.75170126107124 78.960 > 1 77 Se 0.16666666666667 0.83333333333333 0.75170126107124 78.960 > 1 78 Se 0.41666666666667 0.83333333333333 0.75170126107124 78.960 > 1 79 Se 0.66666666666667 0.83333333333333 0.75170126107124 78.960 > 1 80 Se 0.91666666666667 0.83333333333333 0.75170126107124 78.960 > 1 81 Se 0.08333333333333 0.16666666666667 0.91516545197538 78.960 > 17 82 Se 0.33333333333333 0.16666666666667 0.91516545197538 78.960 > 17 83 Se 0.58333333333333 0.16666666666667 0.91516545197538 78.960 > 17 84 Se 0.83333333333333 0.16666666666667 0.91516545197538 78.960 > 17 85 Se 0.08333333333333 0.41666666666667 0.91516545197538 78.960 > 17 86 Se 0.33333333333333 0.41666666666667 0.91516545197538 78.960 > 17 87 Se 0.58333333333333 0.41666666666667 0.91516545197538 78.960 > 17 88 Se 0.83333333333333 0.41666666666667 0.91516545197538 78.960 > 17 89 Se 0.08333333333333 0.66666666666667 0.91516545197538 78.960 > 17 90 Se 0.33333333333333 0.66666666666667 0.91516545197538 78.960 > 17 91 Se 0.58333333333333 0.66666666666667 0.91516545197538 78.960 > 17 92 Se 0.83333333333333 0.66666666666667 0.91516545197538 78.960 > 17 93 Se 0.08333333333333 0.91666666666667 0.91516545197538 78.960 > 17 94 Se 0.33333333333333 0.91666666666667 0.91516545197538 78.960 > 17 95 Se 0.58333333333333 0.91666666666667 0.91516545197538 78.960 > 17 96 Se 0.83333333333333 0.91666666666667 0.91516545197538 78.960 > 17 97 Mo 0.16666666666667 0.08333333333333 0.00013329028673 95.960 > 97 98 Mo 0.41666666666667 0.08333333333333 0.00013329028673 95.960 > 97 99 Mo 0.66666666666667 0.08333333333333 0.00013329028673 95.960 > 97 100 Mo 0.91666666666667 0.08333333333333 0.00013329028673 95.960 > 97 101 Mo 0.16666666666667 0.33333333333333 0.00013329028673 95.960 > 97 102 Mo 0.41666666666667 0.33333333333333 0.00013329028673 95.960 > 97 103 Mo 0.66666666666667 0.33333333333333 0.00013329028673 95.960 > 97 104 Mo 0.91666666666667 0.33333333333333 0.00013329028673 95.960 > 97 105 Mo 0.16666666666667 0.58333333333333 0.00013329028673 95.960 > 97 106 Mo 0.41666666666667 0.58333333333333 0.00013329028673 95.960 > 97 107 Mo 0.66666666666667 0.58333333333333 0.00013329028673 95.960 > 97 108 Mo 0.91666666666667 0.58333333333333 0.00013329028673 95.960 > 97 109 Mo 0.16666666666667 0.83333333333333 0.00013329028673 95.960 > 97 110 Mo 0.41666666666667 0.83333333333333 0.00013329028673 95.960 > 97 111 Mo 0.66666666666667 0.83333333333333 0.00013329028673 95.960 > 97 112 Mo 0.91666666666667 0.83333333333333 0.00013329028673 95.960 > 97 113 Mo 0.08333333333333 0.16666666666667 0.33346662362006 95.960 > 97 114 Mo 0.33333333333333 0.16666666666667 0.33346662362006 95.960 > 97 115 Mo 0.58333333333333 0.16666666666667 0.33346662362006 95.960 > 97 116 Mo 0.83333333333333 0.16666666666667 0.33346662362006 95.960 > 97 117 Mo 0.08333333333333 0.41666666666667 0.33346662362006 95.960 > 97 118 Mo 0.33333333333333 0.41666666666667 0.33346662362006 95.960 > 97 119 Mo 0.58333333333333 0.41666666666667 0.33346662362006 95.960 > 97 120 Mo 0.83333333333333 0.41666666666667 0.33346662362006 95.960 > 97 121 Mo 0.08333333333333 0.66666666666667 0.33346662362006 95.960 > 97 122 Mo 0.33333333333333 0.66666666666667 0.33346662362006 95.960 > 97 123 Mo 0.58333333333333 0.66666666666667 0.33346662362006 95.960 > 97 124 Mo 0.83333333333333 0.66666666666667 0.33346662362006 95.960 > 97 125 Mo 0.08333333333333 0.91666666666667 0.33346662362006 95.960 > 97 126 Mo 0.33333333333333 0.91666666666667 0.33346662362006 95.960 > 97 127 Mo 0.58333333333333 0.91666666666667 0.33346662362006 95.960 > 97 128 Mo 0.83333333333333 0.91666666666667 0.33346662362006 95.960 > 97 129 Mo 0.00000000000000 0.00000000000000 0.66679995695339 95.960 > 97 130 Mo 0.25000000000000 0.00000000000000 0.66679995695339 95.960 > 97 131 Mo 0.50000000000000 0.00000000000000 0.66679995695339 95.960 > 97 132 Mo 0.75000000000000 0.00000000000000 0.66679995695339 95.960 > 97 133 Mo 0.00000000000000 0.25000000000000 0.66679995695339 95.960 > 97 134 Mo 0.25000000000000 0.25000000000000 0.66679995695339 95.960 > 97 135 Mo 0.50000000000000 0.25000000000000 0.66679995695339 95.960 > 97 136 Mo 0.75000000000000 0.25000000000000 0.66679995695339 95.960 > 97 137 Mo 0.00000000000000 0.50000000000000 0.66679995695339 95.960 > 97 138 Mo 0.25000000000000 0.50000000000000 0.66679995695339 95.960 > 97 139 Mo 0.50000000000000 0.50000000000000 0.66679995695339 95.960 > 97 140 Mo 0.75000000000000 0.50000000000000 0.66679995695339 95.960 > 97 141 Mo 0.00000000000000 0.75000000000000 0.66679995695339 95.960 > 97 142 Mo 0.25000000000000 0.75000000000000 0.66679995695339 95.960 > 97 143 Mo 0.50000000000000 0.75000000000000 0.66679995695339 95.960 > 97 144 Mo 0.75000000000000 0.75000000000000 0.66679995695339 95.960 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.3013100 0.0000000 0.0000000 0.0000000 16.3013100 0.0000000 0.0000000 0.0000000 7.8640899 -------------------------- Born effective charges -------------------------- 1 Se 0.9207290 0.0000000 0.0000000 0.0000000 0.9207290 0.0000000 0.0000000 0.0000000 0.5637694 2 Se 0.9019438 0.0000000 0.0000000 0.0000000 0.9019438 0.0000000 0.0000000 0.0000000 0.4786393 3 Mo -1.8226728 -0.0000000 0.0000000 -0.0000000 -1.8226728 0.0000000 0.0000000 0.0000000 -1.0424087 ---------------------------------------------------------------------------- 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[ 17, 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[ 97, 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 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:26:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:26:48]------------------------- 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): [4 4 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3m (160) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.635384429422564 0.944189640555638 6.530927866666660 b -1.635384429422561 0.944189640555638 6.530927866666660 c 0.000000000000002 -1.888379281111279 6.530927866666660 Atomic positions (fractional): 1 Se 0.41836792773791 0.41836792773791 0.41836792773791 78.960 2 Se 0.24849878530871 0.24849878530871 0.24849878530871 78.960 3 Mo 0.66679995695339 0.66679995695339 0.66679995695339 95.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.083075435380501 0.000000000000000 0.000000000000000 b -6.541537717690252 11.330275686667669 0.000000000000000 c 0.000000000000000 0.000000000000000 19.592783600000001 Atomic positions (fractional): 1 Se 0.08333333333333 0.16666666666667 0.08503459440458 78.960 > 1 2 Se 0.33333333333333 0.16666666666667 0.08503459440458 78.960 > 1 3 Se 0.58333333333333 0.16666666666667 0.08503459440458 78.960 > 1 4 Se 0.83333333333333 0.16666666666667 0.08503459440458 78.960 > 1 5 Se 0.08333333333333 0.41666666666667 0.08503459440458 78.960 > 1 6 Se 0.33333333333333 0.41666666666667 0.08503459440458 78.960 > 1 7 Se 0.58333333333333 0.41666666666667 0.08503459440458 78.960 > 1 8 Se 0.83333333333333 0.41666666666667 0.08503459440458 78.960 > 1 9 Se 0.08333333333333 0.66666666666667 0.08503459440458 78.960 > 1 10 Se 0.33333333333333 0.66666666666667 0.08503459440458 78.960 > 1 11 Se 0.58333333333333 0.66666666666667 0.08503459440458 78.960 > 1 12 Se 0.83333333333333 0.66666666666667 0.08503459440458 78.960 > 1 13 Se 0.08333333333333 0.91666666666667 0.08503459440458 78.960 > 1 14 Se 0.33333333333333 0.91666666666667 0.08503459440458 78.960 > 1 15 Se 0.58333333333333 0.91666666666667 0.08503459440458 78.960 > 1 16 Se 0.83333333333333 0.91666666666667 0.08503459440458 78.960 > 1 17 Se 0.00000000000000 0.00000000000000 0.24849878530871 78.960 > 17 18 Se 0.25000000000000 0.00000000000000 0.24849878530871 78.960 > 17 19 Se 0.50000000000000 0.00000000000000 0.24849878530871 78.960 > 17 20 Se 0.75000000000000 0.00000000000000 0.24849878530871 78.960 > 17 21 Se 0.00000000000000 0.25000000000000 0.24849878530871 78.960 > 17 22 Se 0.25000000000000 0.25000000000000 0.24849878530871 78.960 > 17 23 Se 0.50000000000000 0.25000000000000 0.24849878530871 78.960 > 17 24 Se 0.75000000000000 0.25000000000000 0.24849878530871 78.960 > 17 25 Se 0.00000000000000 0.50000000000000 0.24849878530871 78.960 > 17 26 Se 0.25000000000000 0.50000000000000 0.24849878530871 78.960 > 17 27 Se 0.50000000000000 0.50000000000000 0.24849878530871 78.960 > 17 28 Se 0.75000000000000 0.50000000000000 0.24849878530871 78.960 > 17 29 Se 0.00000000000000 0.75000000000000 0.24849878530871 78.960 > 17 30 Se 0.25000000000000 0.75000000000000 0.24849878530871 78.960 > 17 31 Se 0.50000000000000 0.75000000000000 0.24849878530871 78.960 > 17 32 Se 0.75000000000000 0.75000000000000 0.24849878530871 78.960 > 17 33 Se 0.00000000000000 0.00000000000000 0.41836792773791 78.960 > 1 34 Se 0.25000000000000 0.00000000000000 0.41836792773791 78.960 > 1 35 Se 0.50000000000000 0.00000000000000 0.41836792773791 78.960 > 1 36 Se 0.75000000000000 0.00000000000000 0.41836792773791 78.960 > 1 37 Se 0.00000000000000 0.25000000000000 0.41836792773791 78.960 > 1 38 Se 0.25000000000000 0.25000000000000 0.41836792773791 78.960 > 1 39 Se 0.50000000000000 0.25000000000000 0.41836792773791 78.960 > 1 40 Se 0.75000000000000 0.25000000000000 0.41836792773791 78.960 > 1 41 Se 0.00000000000000 0.50000000000000 0.41836792773791 78.960 > 1 42 Se 0.25000000000000 0.50000000000000 0.41836792773791 78.960 > 1 43 Se 0.50000000000000 0.50000000000000 0.41836792773791 78.960 > 1 44 Se 0.75000000000000 0.50000000000000 0.41836792773791 78.960 > 1 45 Se 0.00000000000000 0.75000000000000 0.41836792773791 78.960 > 1 46 Se 0.25000000000000 0.75000000000000 0.41836792773791 78.960 > 1 47 Se 0.50000000000000 0.75000000000000 0.41836792773791 78.960 > 1 48 Se 0.75000000000000 0.75000000000000 0.41836792773791 78.960 > 1 49 Se 0.16666666666667 0.08333333333333 0.58183211864204 78.960 > 17 50 Se 0.41666666666667 0.08333333333333 0.58183211864204 78.960 > 17 51 Se 0.66666666666667 0.08333333333333 0.58183211864204 78.960 > 17 52 Se 0.91666666666667 0.08333333333333 0.58183211864204 78.960 > 17 53 Se 0.16666666666667 0.33333333333333 0.58183211864204 78.960 > 17 54 Se 0.41666666666667 0.33333333333333 0.58183211864204 78.960 > 17 55 Se 0.66666666666667 0.33333333333333 0.58183211864204 78.960 > 17 56 Se 0.91666666666667 0.33333333333333 0.58183211864204 78.960 > 17 57 Se 0.16666666666667 0.58333333333333 0.58183211864204 78.960 > 17 58 Se 0.41666666666667 0.58333333333333 0.58183211864204 78.960 > 17 59 Se 0.66666666666667 0.58333333333333 0.58183211864204 78.960 > 17 60 Se 0.91666666666667 0.58333333333333 0.58183211864204 78.960 > 17 61 Se 0.16666666666667 0.83333333333333 0.58183211864204 78.960 > 17 62 Se 0.41666666666667 0.83333333333333 0.58183211864204 78.960 > 17 63 Se 0.66666666666667 0.83333333333333 0.58183211864204 78.960 > 17 64 Se 0.91666666666667 0.83333333333333 0.58183211864204 78.960 > 17 65 Se 0.16666666666667 0.08333333333333 0.75170126107124 78.960 > 1 66 Se 0.41666666666667 0.08333333333333 0.75170126107124 78.960 > 1 67 Se 0.66666666666667 0.08333333333333 0.75170126107124 78.960 > 1 68 Se 0.91666666666667 0.08333333333333 0.75170126107124 78.960 > 1 69 Se 0.16666666666667 0.33333333333333 0.75170126107124 78.960 > 1 70 Se 0.41666666666667 0.33333333333333 0.75170126107124 78.960 > 1 71 Se 0.66666666666667 0.33333333333333 0.75170126107124 78.960 > 1 72 Se 0.91666666666667 0.33333333333333 0.75170126107124 78.960 > 1 73 Se 0.16666666666667 0.58333333333333 0.75170126107124 78.960 > 1 74 Se 0.41666666666667 0.58333333333333 0.75170126107124 78.960 > 1 75 Se 0.66666666666667 0.58333333333333 0.75170126107124 78.960 > 1 76 Se 0.91666666666667 0.58333333333333 0.75170126107124 78.960 > 1 77 Se 0.16666666666667 0.83333333333333 0.75170126107124 78.960 > 1 78 Se 0.41666666666667 0.83333333333333 0.75170126107124 78.960 > 1 79 Se 0.66666666666667 0.83333333333333 0.75170126107124 78.960 > 1 80 Se 0.91666666666667 0.83333333333333 0.75170126107124 78.960 > 1 81 Se 0.08333333333333 0.16666666666667 0.91516545197538 78.960 > 17 82 Se 0.33333333333333 0.16666666666667 0.91516545197538 78.960 > 17 83 Se 0.58333333333333 0.16666666666667 0.91516545197538 78.960 > 17 84 Se 0.83333333333333 0.16666666666667 0.91516545197538 78.960 > 17 85 Se 0.08333333333333 0.41666666666667 0.91516545197538 78.960 > 17 86 Se 0.33333333333333 0.41666666666667 0.91516545197538 78.960 > 17 87 Se 0.58333333333333 0.41666666666667 0.91516545197538 78.960 > 17 88 Se 0.83333333333333 0.41666666666667 0.91516545197538 78.960 > 17 89 Se 0.08333333333333 0.66666666666667 0.91516545197538 78.960 > 17 90 Se 0.33333333333333 0.66666666666667 0.91516545197538 78.960 > 17 91 Se 0.58333333333333 0.66666666666667 0.91516545197538 78.960 > 17 92 Se 0.83333333333333 0.66666666666667 0.91516545197538 78.960 > 17 93 Se 0.08333333333333 0.91666666666667 0.91516545197538 78.960 > 17 94 Se 0.33333333333333 0.91666666666667 0.91516545197538 78.960 > 17 95 Se 0.58333333333333 0.91666666666667 0.91516545197538 78.960 > 17 96 Se 0.83333333333333 0.91666666666667 0.91516545197538 78.960 > 17 97 Mo 0.16666666666667 0.08333333333333 0.00013329028673 95.960 > 97 98 Mo 0.41666666666667 0.08333333333333 0.00013329028673 95.960 > 97 99 Mo 0.66666666666667 0.08333333333333 0.00013329028673 95.960 > 97 100 Mo 0.91666666666667 0.08333333333333 0.00013329028673 95.960 > 97 101 Mo 0.16666666666667 0.33333333333333 0.00013329028673 95.960 > 97 102 Mo 0.41666666666667 0.33333333333333 0.00013329028673 95.960 > 97 103 Mo 0.66666666666667 0.33333333333333 0.00013329028673 95.960 > 97 104 Mo 0.91666666666667 0.33333333333333 0.00013329028673 95.960 > 97 105 Mo 0.16666666666667 0.58333333333333 0.00013329028673 95.960 > 97 106 Mo 0.41666666666667 0.58333333333333 0.00013329028673 95.960 > 97 107 Mo 0.66666666666667 0.58333333333333 0.00013329028673 95.960 > 97 108 Mo 0.91666666666667 0.58333333333333 0.00013329028673 95.960 > 97 109 Mo 0.16666666666667 0.83333333333333 0.00013329028673 95.960 > 97 110 Mo 0.41666666666667 0.83333333333333 0.00013329028673 95.960 > 97 111 Mo 0.66666666666667 0.83333333333333 0.00013329028673 95.960 > 97 112 Mo 0.91666666666667 0.83333333333333 0.00013329028673 95.960 > 97 113 Mo 0.08333333333333 0.16666666666667 0.33346662362006 95.960 > 97 114 Mo 0.33333333333333 0.16666666666667 0.33346662362006 95.960 > 97 115 Mo 0.58333333333333 0.16666666666667 0.33346662362006 95.960 > 97 116 Mo 0.83333333333333 0.16666666666667 0.33346662362006 95.960 > 97 117 Mo 0.08333333333333 0.41666666666667 0.33346662362006 95.960 > 97 118 Mo 0.33333333333333 0.41666666666667 0.33346662362006 95.960 > 97 119 Mo 0.58333333333333 0.41666666666667 0.33346662362006 95.960 > 97 120 Mo 0.83333333333333 0.41666666666667 0.33346662362006 95.960 > 97 121 Mo 0.08333333333333 0.66666666666667 0.33346662362006 95.960 > 97 122 Mo 0.33333333333333 0.66666666666667 0.33346662362006 95.960 > 97 123 Mo 0.58333333333333 0.66666666666667 0.33346662362006 95.960 > 97 124 Mo 0.83333333333333 0.66666666666667 0.33346662362006 95.960 > 97 125 Mo 0.08333333333333 0.91666666666667 0.33346662362006 95.960 > 97 126 Mo 0.33333333333333 0.91666666666667 0.33346662362006 95.960 > 97 127 Mo 0.58333333333333 0.91666666666667 0.33346662362006 95.960 > 97 128 Mo 0.83333333333333 0.91666666666667 0.33346662362006 95.960 > 97 129 Mo 0.00000000000000 0.00000000000000 0.66679995695339 95.960 > 97 130 Mo 0.25000000000000 0.00000000000000 0.66679995695339 95.960 > 97 131 Mo 0.50000000000000 0.00000000000000 0.66679995695339 95.960 > 97 132 Mo 0.75000000000000 0.00000000000000 0.66679995695339 95.960 > 97 133 Mo 0.00000000000000 0.25000000000000 0.66679995695339 95.960 > 97 134 Mo 0.25000000000000 0.25000000000000 0.66679995695339 95.960 > 97 135 Mo 0.50000000000000 0.25000000000000 0.66679995695339 95.960 > 97 136 Mo 0.75000000000000 0.25000000000000 0.66679995695339 95.960 > 97 137 Mo 0.00000000000000 0.50000000000000 0.66679995695339 95.960 > 97 138 Mo 0.25000000000000 0.50000000000000 0.66679995695339 95.960 > 97 139 Mo 0.50000000000000 0.50000000000000 0.66679995695339 95.960 > 97 140 Mo 0.75000000000000 0.50000000000000 0.66679995695339 95.960 > 97 141 Mo 0.00000000000000 0.75000000000000 0.66679995695339 95.960 > 97 142 Mo 0.25000000000000 0.75000000000000 0.66679995695339 95.960 > 97 143 Mo 0.50000000000000 0.75000000000000 0.66679995695339 95.960 > 97 144 Mo 0.75000000000000 0.75000000000000 0.66679995695339 95.960 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 16.3013100 0.0000000 0.0000000 0.0000000 16.3013100 0.0000000 0.0000000 0.0000000 7.8640899 -------------------------- Born effective charges -------------------------- 1 Se 0.9207290 0.0000000 0.0000000 0.0000000 0.9207290 0.0000000 0.0000000 0.0000000 0.5637694 2 Se 0.9019438 0.0000000 0.0000000 0.0000000 0.9019438 0.0000000 0.0000000 0.0000000 0.4786393 3 Mo -1.8226728 -0.0000000 0.0000000 -0.0000000 -1.8226728 0.0000000 0.0000000 0.0000000 -1.0424087 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 18 18 18 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.06, Number of G-points: 289, Lambda: 0.40 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/580) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 -0.000) 0.000 5.053 ( 0.000 -0.000 0.000) 0.000 7.271 ( 0.000 0.000 -0.000) 0.000 8.555 ( -0.000 -0.000 0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/580) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 15.952 9.210 1.555) 18.485 0.622 ( 27.141 15.670 -0.792) 31.350 1.004 ( 43.449 25.085 1.662) 50.198 5.070 ( 1.444 0.834 0.153) 1.674 5.122 ( 5.887 3.399 -0.234) 6.802 7.229 ( -3.653 -2.109 -0.099) 4.219 8.560 ( 0.365 0.211 0.023) 0.423 8.710 ( 1.132 0.654 -1.097) 1.707 10.453 ( -3.505 -2.024 0.592) 4.090 ======================= Grid point 2 (3/580) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 20.419 11.789 -0.524) 23.584 1.215 ( 25.248 14.577 -0.775) 29.164 1.964 ( 40.643 23.465 1.380) 46.951 5.117 ( 2.604 1.504 0.259) 3.018 5.303 ( 9.746 5.627 -0.207) 11.255 7.110 ( -6.620 -3.822 -0.113) 7.645 8.570 ( 0.437 0.252 0.039) 0.506 8.740 ( 1.698 0.980 -0.618) 2.056 10.338 ( -6.730 -3.885 0.220) 7.774 ======================= Grid point 3 (4/580) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 24.227 13.988 -2.518) 28.089 1.754 ( 22.317 12.885 -0.735) 25.780 2.839 ( 36.094 20.839 0.885) 41.687 5.186 ( 3.294 1.902 0.296) 3.815 5.542 ( 10.939 6.316 0.125) 12.632 6.937 ( -8.388 -4.843 0.038) 9.685 8.576 ( 0.076 0.044 0.040) 0.097 8.780 ( 1.836 1.060 -0.489) 2.175 10.153 ( -9.568 -5.524 -0.001) 11.048 ======================= Grid point 4 (5/580) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 26.179 15.115 -3.989) 30.491 2.217 ( 18.635 10.759 -0.658) 21.528 3.590 ( 29.764 17.184 0.155) 34.369 5.264 ( 3.463 1.999 0.271) 4.008 5.782 ( 9.867 5.697 0.669) 11.413 6.744 ( -8.452 -4.880 0.415) 9.768 8.571 ( -0.616 -0.356 0.021) 0.712 8.818 ( 1.623 0.937 -0.455) 1.928 9.911 ( -11.604 -6.699 -0.144) 13.400 ======================= Grid point 5 (6/580) ======================= q-point: ( 0.28 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 26.058 15.044 -4.875) 30.481 2.591 ( 14.541 8.395 -0.541) 16.800 4.173 ( 21.455 12.387 -0.779) 24.786 5.341 ( 3.181 1.837 0.211) 3.679 5.980 ( 7.158 4.133 1.320) 8.370 6.575 ( -6.203 -3.581 1.013) 7.234 8.548 ( -1.344 -0.776 -0.014) 1.552 8.849 ( 1.225 0.707 -0.457) 1.487 9.636 ( -12.300 -7.101 -0.163) 14.204 ======================= Grid point 6 (7/580) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 10.397 6.003 -0.394) 12.012 2.953 ( 23.771 13.724 -5.139) 27.925 4.546 ( 11.773 6.797 -1.609) 13.689 5.407 ( 2.579 1.489 0.143) 2.981 6.106 ( 3.437 1.984 1.921) 4.409 6.486 ( -1.774 -1.024 1.570) 2.581 8.512 ( -1.760 -1.016 -0.050) 2.033 8.871 ( 0.793 0.458 -0.448) 1.020 9.366 ( -11.192 -6.462 -0.074) 12.924 ======================= Grid point 7 (8/580) ======================= q-point: ( 0.39 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 6.527 3.769 -0.243) 7.541 3.428 ( 18.947 10.939 -4.592) 22.355 4.711 ( 3.906 2.255 -1.715) 4.825 5.457 ( 1.788 1.032 0.084) 2.067 6.146 ( -0.208 -0.120 2.075) 2.089 6.499 ( 2.055 1.187 1.631) 2.879 8.472 ( -1.639 -0.946 -0.067) 1.894 8.883 ( 0.431 0.249 -0.379) 0.625 9.143 ( -8.298 -4.791 0.029) 9.582 ======================= Grid point 8 (9/580) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 3.097 1.788 -0.111) 3.577 3.761 ( 10.912 6.300 -2.881) 12.925 4.749 ( 0.523 0.302 -1.017) 1.183 5.488 ( 0.909 0.525 0.038) 1.051 6.125 ( -1.601 -0.924 1.437) 2.341 6.559 ( 2.285 1.319 1.015) 2.827 8.442 ( -0.982 -0.567 -0.048) 1.135 8.889 ( 0.179 0.103 -0.224) 0.304 8.999 ( -4.308 -2.487 0.054) 4.975 ======================= Grid point 9 (10/580) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 8.430 ( 0.000 0.000 0.000) 0.000 8.891 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 20 (11/580) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 0.000 18.011 5.140) 18.730 0.639 ( 0.000 31.185 3.041) 31.333 0.997 ( -0.000 50.030 0.046) 50.030 5.067 ( -0.000 1.561 -0.460) 1.628 5.124 ( 0.000 6.898 0.241) 6.902 7.228 ( -0.000 -4.231 -0.234) 4.237 8.560 ( -0.000 0.415 -0.001) 0.415 8.706 ( -0.000 1.740 -2.004) 2.654 10.456 ( 0.000 -4.282 1.134) 4.429 ======================= Grid point 21 (12/580) ======================= q-point: ( 0.11 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 10.010 19.274 2.373) 21.848 1.091 ( 14.573 27.654 1.210) 31.282 1.699 ( 24.211 40.268 0.781) 46.992 5.100 ( 1.676 2.266 -0.327) 2.837 5.247 ( 4.920 9.049 0.179) 10.302 7.147 ( -3.407 -5.982 -0.301) 6.891 8.569 ( 0.401 0.655 0.018) 0.768 8.726 ( 0.868 1.576 -1.061) 2.088 10.378 ( -3.467 -5.958 0.536) 6.914 ======================= Grid point 22 (13/580) ======================= q-point: ( 0.17 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 16.495 20.215 -0.700) 26.100 1.617 ( 16.113 24.658 0.238) 29.457 2.515 ( 29.580 30.353 0.746) 42.389 5.163 ( 2.553 3.033 -0.127) 3.967 5.453 ( 8.093 9.254 0.328) 12.298 7.001 ( -5.927 -7.126 -0.217) 9.271 8.582 ( 0.092 0.896 0.035) 0.901 8.758 ( 1.514 1.136 -0.674) 2.009 10.226 ( -6.588 -7.546 0.184) 10.019 ======================= Grid point 23 (14/580) ======================= q-point: ( 0.22 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 20.735 20.381 -2.875) 29.216 2.105 ( 13.978 22.148 -0.085) 26.190 3.274 ( 28.657 22.165 0.162) 36.229 5.242 ( 2.775 3.693 -0.045) 4.620 5.688 ( 8.938 7.968 0.784) 12.000 6.816 ( -7.011 -7.415 0.088) 10.205 8.586 ( -0.711 0.802 0.036) 1.072 8.794 ( 1.823 0.710 -0.543) 2.030 10.011 ( -9.150 -8.769 -0.032) 12.673 ======================= Grid point 24 (15/580) ======================= q-point: ( 0.28 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 22.774 19.449 -4.158) 30.236 2.519 ( 10.492 19.574 -0.166) 22.209 3.906 ( 24.147 14.403 -0.721) 28.125 5.325 ( 2.433 4.173 -0.045) 4.831 5.903 ( 7.762 5.770 1.405) 9.773 6.633 ( -6.092 -6.466 0.637) 8.906 8.572 ( -1.588 0.367 0.017) 1.630 8.829 ( 1.685 0.490 -0.517) 1.829 9.752 ( -10.680 -9.314 -0.112) 14.171 ======================= Grid point 25 (16/580) ======================= q-point: ( 0.33 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 22.543 17.377 -4.594) 28.831 2.842 ( 6.644 16.866 -0.215) 18.128 4.357 ( 16.967 6.613 -1.651) 18.284 5.403 ( 1.662 4.492 -0.082) 4.790 6.062 ( 5.077 3.085 2.045) 6.283 6.504 ( -2.835 -4.083 1.277) 5.132 8.541 ( -2.172 -0.107 -0.017) 2.175 8.857 ( 1.233 0.442 -0.518) 1.409 9.477 ( -10.654 -8.892 -0.059) 13.877 ======================= Grid point 26 (17/580) ======================= q-point: ( 0.39 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 2.961 13.864 0.147) 14.178 3.203 ( 19.925 14.361 -4.617) 24.991 4.603 ( 9.229 -0.013 -2.077) 9.460 5.467 ( 0.615 4.700 -0.127) 4.742 6.142 ( 1.539 0.298 2.425) 2.887 6.471 ( 1.458 -1.354 1.583) 2.542 8.500 ( -2.243 -0.312 -0.041) 2.265 8.876 ( 0.697 0.469 -0.485) 0.971 9.229 ( -8.795 -7.409 0.040) 11.500 ======================= Grid point 27 (18/580) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( -0.479 11.270 0.190) 11.282 3.609 ( 14.649 9.713 -3.325) 17.889 4.687 ( 4.371 -3.502 -1.651) 5.840 5.514 ( -0.588 4.829 -0.162) 4.867 6.141 ( -1.124 -1.631 2.179) 2.945 6.515 ( 3.460 -0.469 1.219) 3.698 8.463 ( -1.765 -0.130 -0.034) 1.770 8.887 ( 0.247 0.502 -0.375) 0.673 9.045 ( -5.432 -5.153 0.079) 7.487 ======================= Grid point 28 (19/580) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( -3.364 9.086 0.279) 9.693 3.849 ( 5.852 3.653 -0.914) 6.959 4.703 ( 2.930 -4.321 -0.749) 5.274 5.540 ( -1.902 4.732 -0.158) 5.103 6.106 ( -0.922 -1.683 1.106) 2.215 6.561 ( 2.288 -1.508 0.326) 2.759 8.441 ( -0.880 0.351 0.002) 0.948 8.893 ( -0.062 0.482 -0.182) 0.519 8.949 ( -1.348 -2.636 0.026) 2.961 ======================= Grid point 29 (20/580) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -6.230 7.427 0.377) 9.701 3.861 ( -5.142 -2.761 2.003) 6.170 4.707 ( 2.722 -4.460 0.246) 5.231 5.540 ( -3.120 4.072 -0.117) 5.132 6.100 ( 1.287 -0.422 -0.474) 1.435 6.557 ( -0.174 -2.907 -0.681) 2.991 8.441 ( 0.147 0.941 0.046) 0.954 8.894 ( -0.285 0.352 0.044) 0.456 8.948 ( 2.938 -0.170 -0.051) 2.943 ======================= Grid point 30 (21/580) ======================= q-point: (-0.39 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( -9.556 5.995 0.475) 11.290 3.641 ( -15.145 -7.649 4.067) 17.448 4.699 ( 1.202 -5.374 1.105) 5.617 5.514 ( -3.900 2.999 -0.134) 4.922 6.125 ( 1.667 -0.044 -1.535) 2.266 6.504 ( -1.550 -3.300 -1.423) 3.913 8.463 ( 1.000 1.458 0.068) 1.769 8.890 ( -0.479 0.076 0.227) 0.535 9.044 ( 7.189 2.114 -0.058) 7.494 ======================= Grid point 31 (22/580) ======================= q-point: (-0.33 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( -13.507 4.207 0.554) 14.158 3.244 ( -22.149 -10.091 4.870) 24.822 4.618 ( -4.532 -7.983 1.376) 9.283 5.467 ( -4.395 1.890 -0.201) 4.788 6.124 ( -1.042 -1.228 -1.723) 2.358 6.458 ( 0.435 -1.862 -1.591) 2.488 8.500 ( 1.388 1.773 0.054) 2.252 8.879 ( -0.708 -0.349 0.338) 0.858 9.229 ( 10.856 3.905 0.021) 11.537 ======================= Grid point 32 (23/580) ======================= q-point: (-0.28 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -26.020 -11.095 4.327) 28.615 2.848 ( -18.201 2.511 1.034) 18.403 4.368 ( -14.425 -11.477 0.848) 18.453 5.402 ( -4.736 0.887 -0.272) 4.826 6.048 ( -5.059 -2.818 -1.272) 5.929 6.493 ( 5.126 0.580 -1.215) 5.300 8.541 ( 1.170 1.809 0.017) 2.155 8.860 ( -0.976 -0.841 0.372) 1.341 9.478 ( 13.070 4.766 0.124) 13.913 ======================= Grid point 33 (24/580) ======================= q-point: (-0.22 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -28.305 -10.566 3.745) 30.444 2.523 ( -22.253 0.572 0.894) 22.279 3.909 ( -24.834 -13.770 0.037) 28.396 5.324 ( -4.845 0.085 -0.321) 4.856 5.894 ( -8.707 -3.808 -0.661) 9.526 6.628 ( 8.849 2.209 -0.641) 9.143 8.572 ( 0.471 1.545 -0.019) 1.615 8.832 ( -1.246 -1.219 0.352) 1.778 9.753 ( 13.412 4.557 0.158) 14.166 ======================= Grid point 34 (25/580) ======================= q-point: (-0.17 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -28.298 -8.539 2.532) 29.666 2.109 ( -26.199 -1.316 0.850) 26.246 3.271 ( -33.791 -13.665 -0.535) 36.453 5.240 ( -4.597 -0.398 -0.316) 4.625 5.684 ( -11.215 -3.785 -0.173) 11.838 6.815 ( 10.064 2.489 -0.212) 10.369 8.586 ( -0.341 1.015 -0.033) 1.071 8.798 ( -1.478 -1.236 0.301) 1.950 10.012 ( 12.125 3.487 0.090) 12.617 ======================= Grid point 35 (26/580) ======================= q-point: (-0.11 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -26.288 -5.151 1.062) 26.809 1.619 ( -29.435 -2.230 0.643) 29.526 2.509 ( -41.333 -10.107 -0.654) 42.556 5.162 ( -3.911 -0.452 -0.216) 3.943 5.452 ( -11.943 -2.520 0.078) 12.206 7.001 ( 9.198 1.650 -0.014) 9.345 8.582 ( -0.824 0.381 -0.024) 0.908 8.762 ( -1.626 -0.760 0.220) 1.809 10.226 ( 9.741 1.879 -0.013) 9.921 ======================= Grid point 36 (27/580) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -22.499 -0.000 0.000) 22.499 1.086 ( -31.400 -0.000 0.000) 31.400 1.696 ( -47.164 -0.000 0.000) 47.164 5.102 ( -2.799 -0.000 0.000) 2.799 5.247 ( -10.245 -0.000 0.000) 10.245 7.148 ( 6.896 0.000 -0.000) 6.896 8.569 ( -0.769 -0.000 0.000) 0.769 8.731 ( -1.540 -0.000 0.000) 1.540 10.375 ( 6.737 0.000 -0.000) 6.737 ======================= Grid point 39 (28/580) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.000 23.538 3.209) 23.755 1.248 ( 0.000 29.015 2.913) 29.161 1.949 ( -0.000 46.789 -0.239) 46.789 5.107 ( -0.000 2.845 -0.842) 2.967 5.310 ( 0.000 11.376 0.623) 11.393 7.107 ( -0.000 -7.715 -0.447) 7.728 8.569 ( -0.000 0.495 -0.003) 0.495 8.737 ( -0.000 2.221 -0.987) 2.430 10.341 ( 0.000 -7.857 0.533) 7.875 ======================= Grid point 40 (29/580) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 7.018 25.447 1.275) 26.428 1.643 ( 11.467 26.907 2.045) 29.320 2.502 ( 12.607 40.324 -0.182) 42.249 5.153 ( 1.978 3.398 -0.790) 4.010 5.460 ( 3.553 11.823 0.799) 12.371 6.997 ( -3.046 -8.844 -0.443) 9.364 8.582 ( 0.763 0.506 0.003) 0.915 8.757 ( 0.155 2.023 -0.707) 2.149 10.228 ( -3.339 -9.439 0.313) 10.017 ======================= Grid point 41 (30/580) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 12.629 25.648 -1.057) 28.608 2.124 ( 13.279 25.530 1.072) 28.797 3.117 ( 18.221 30.049 -0.337) 35.143 5.232 ( 2.978 4.160 -0.597) 5.151 5.654 ( 5.724 10.401 1.097) 11.923 6.836 ( -5.046 -9.201 -0.216) 10.496 8.599 ( 0.389 0.588 0.016) 0.705 8.779 ( 0.670 1.392 -0.551) 1.640 10.048 ( -6.272 -10.649 0.105) 12.359 ======================= Grid point 42 (31/580) ======================= q-point: ( 0.28 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 16.523 24.340 -2.772) 29.549 2.576 ( 10.236 24.677 0.518) 26.721 3.681 ( 19.438 19.007 -0.914) 27.202 5.327 ( 2.947 5.097 -0.466) 5.906 5.851 ( 6.250 7.731 1.596) 10.069 6.658 ( -5.323 -8.444 0.259) 9.985 8.600 ( -0.868 0.377 0.017) 0.946 8.806 ( 1.338 0.928 -0.514) 1.707 9.813 ( -8.434 -11.252 -0.001) 14.062 ======================= Grid point 43 (32/580) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 18.424 21.797 -3.681) 28.776 2.948 ( 5.555 23.313 0.243) 23.967 4.125 ( 17.026 8.292 -1.696) 19.014 5.425 ( 2.164 6.033 -0.416) 6.423 6.016 ( 5.153 4.488 2.192) 7.176 6.509 ( -3.400 -6.296 0.880) 7.210 8.577 ( -1.927 -0.172 -0.021) 1.935 8.838 ( 1.455 0.915 -0.506) 1.792 9.550 ( -9.345 -10.971 0.021) 14.412 ======================= Grid point 44 (33/580) ======================= q-point: ( 0.39 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 18.080 18.198 -3.734) 25.923 3.220 ( 0.921 20.936 0.032) 20.956 4.405 ( 12.227 -0.534 -2.180) 12.431 5.514 ( 0.933 6.833 -0.408) 6.908 6.118 ( 2.692 1.152 2.660) 3.956 6.436 ( 0.232 -3.504 1.318) 3.751 8.536 ( -2.277 -0.643 -0.072) 2.367 8.868 ( 0.999 1.148 -0.473) 1.593 9.294 ( -8.597 -9.667 0.109) 12.937 ======================= Grid point 45 (34/580) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( -2.385 17.459 0.548) 17.630 3.456 ( 14.829 13.773 -3.602) 20.557 4.533 ( 7.657 -5.264 -1.921) 9.488 5.586 ( -0.499 7.419 -0.407) 7.447 6.143 ( -0.206 -1.619 2.671) 3.130 6.447 ( 3.253 -2.097 1.216) 4.057 8.491 ( -1.935 -0.745 -0.093) 2.076 8.890 ( 0.338 1.405 -0.387) 1.496 9.082 ( -6.178 -7.514 0.153) 9.729 ======================= Grid point 46 (35/580) ======================= q-point: ( 0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( -5.277 14.416 0.284) 15.354 3.768 ( 9.316 7.907 -1.614) 12.325 4.576 ( 5.078 -6.231 -1.140) 8.119 5.638 ( -2.075 7.674 -0.351) 7.958 6.109 ( -1.446 -2.744 2.008) 3.695 6.489 ( 3.623 -2.825 0.535) 4.625 8.459 ( -1.095 -0.451 -0.072) 1.187 8.904 ( -0.269 1.527 -0.245) 1.569 8.945 ( -2.624 -4.980 0.100) 5.630 ======================= Grid point 47 (36/580) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( -7.201 12.461 0.357) 14.397 3.898 ( 0.237 1.641 0.884) 1.879 4.589 ( 4.115 -6.290 -0.289) 7.522 5.660 ( -3.995 7.192 -0.136) 8.228 6.074 ( 0.177 -1.958 0.565) 2.045 6.504 ( 2.014 -4.175 -0.364) 4.650 8.447 ( -0.034 0.107 -0.029) 0.116 8.897 ( 1.406 -2.500 -0.032) 2.869 8.910 ( -0.721 1.412 -0.035) 1.586 ======================= Grid point 48 (37/580) ======================= q-point: (-0.39 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( -9.923 11.720 0.451) 15.364 3.810 ( -9.990 -3.605 3.035) 11.046 4.590 ( 3.641 -7.264 0.492) 8.141 5.642 ( -5.613 5.864 0.033) 8.118 6.084 ( 2.175 -0.747 -0.847) 2.451 6.474 ( 0.090 -4.715 -1.091) 4.841 8.460 ( 0.961 0.756 0.004) 1.223 8.908 ( -1.024 1.038 0.089) 1.460 8.943 ( 5.593 -0.273 -0.050) 5.600 ======================= Grid point 49 (38/580) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( -14.112 10.062 0.436) 17.337 3.525 ( -18.394 -5.578 4.052) 19.644 4.559 ( 1.263 -9.188 0.947) 9.323 5.590 ( -6.277 4.349 -0.040) 7.637 6.107 ( 1.219 -0.899 -1.375) 2.045 6.424 ( -0.070 -3.745 -1.359) 3.984 8.492 ( 1.605 1.332 0.009) 2.086 8.896 ( -1.251 0.404 0.223) 1.334 9.080 ( 9.640 1.543 -0.041) 9.763 ======================= Grid point 50 (39/580) ======================= q-point: (-0.28 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( -23.990 -6.838 3.102) 25.138 3.232 ( -19.084 8.858 1.263) 21.078 4.431 ( -5.704 -10.917 0.764) 12.341 5.516 ( -6.462 2.828 -0.157) 7.056 6.084 ( -2.170 -1.798 -1.156) 3.046 6.414 ( 3.006 -1.613 -1.129) 3.593 8.536 ( 1.664 1.669 -0.011) 2.356 8.874 ( -1.404 -0.331 0.271) 1.468 9.293 ( 12.765 2.557 0.038) 13.019 ======================= Grid point 51 (40/580) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -27.921 -6.367 2.627) 28.758 2.954 ( -23.111 6.361 0.825) 23.984 4.142 ( -16.148 -10.569 0.196) 19.301 5.427 ( -6.354 1.421 -0.207) 6.514 5.991 ( -6.134 -2.215 -0.614) 6.551 6.495 ( 7.466 0.183 -0.652) 7.496 8.577 ( 1.080 1.598 -0.032) 1.929 8.844 ( -1.466 -0.867 0.243) 1.720 9.551 ( 14.249 2.525 0.091) 14.471 ======================= Grid point 52 (41/580) ======================= q-point: (-0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -29.522 -3.847 1.418) 29.806 2.576 ( -26.589 2.638 0.512) 26.725 3.688 ( -26.665 -6.973 -0.159) 27.562 5.330 ( -5.907 0.385 -0.158) 5.922 5.835 ( -9.536 -1.638 -0.182) 9.678 6.654 ( 10.262 0.711 -0.219) 10.289 8.600 ( 0.093 0.970 -0.027) 0.975 8.811 ( -1.417 -0.790 0.149) 1.629 9.814 ( 13.963 1.568 0.064) 14.050 ======================= Grid point 53 (42/580) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -29.060 -0.000 0.000) 29.060 2.115 ( -28.922 -0.000 0.000) 28.922 3.120 ( -35.484 -0.000 0.000) 35.484 5.237 ( -5.082 -0.000 0.000) 5.082 5.644 ( -11.681 -0.000 0.000) 11.681 6.838 ( 10.637 0.000 -0.000) 10.637 8.598 ( -0.709 -0.000 0.000) 0.709 8.784 ( -1.427 -0.000 0.000) 1.427 10.047 ( 12.289 0.000 -0.000) 12.289 ======================= Grid point 58 (43/580) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.000 28.318 1.305) 28.348 1.802 ( 0.000 25.662 2.716) 25.805 2.816 ( -0.000 41.545 -0.716) 41.551 5.166 ( -0.000 3.653 -1.086) 3.811 5.556 ( 0.000 12.695 1.132) 12.745 6.930 ( -0.000 -9.841 -0.526) 9.855 8.576 ( -0.000 0.089 -0.003) 0.089 8.778 ( -0.000 2.320 -0.606) 2.398 10.157 ( 0.000 -11.042 0.286) 11.045 ======================= Grid point 59 (44/580) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 5.014 29.283 0.002) 29.709 2.152 ( 10.860 23.495 2.186) 25.976 3.249 ( 5.475 35.688 -0.981) 36.119 5.222 ( 2.371 4.011 -1.035) 4.773 5.701 ( 2.194 11.760 1.419) 12.047 6.806 ( -2.647 -10.050 -0.381) 10.400 8.585 ( 1.046 -0.219 -0.006) 1.069 8.795 ( -0.366 2.069 -0.498) 2.159 10.016 ( -3.145 -12.221 0.176) 12.620 ======================= Grid point 60 (45/580) ======================= q-point: ( 0.28 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 9.176 28.404 -1.505) 29.887 2.603 ( 14.202 22.119 1.438) 26.325 3.666 ( 7.710 25.892 -1.400) 27.052 5.316 ( 3.805 4.719 -0.873) 6.125 5.859 ( 3.321 9.341 1.823) 10.080 6.651 ( -4.049 -9.233 0.018) 10.082 8.599 ( 0.813 -0.618 -0.022) 1.021 8.807 ( -0.066 1.765 -0.456) 1.824 9.816 ( -5.755 -12.799 0.096) 14.033 ======================= Grid point 61 (46/580) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 12.235 25.913 -2.613) 28.775 3.046 ( 11.295 22.094 0.861) 24.829 3.995 ( 8.491 13.620 -1.962) 16.170 5.432 ( 3.893 5.819 -0.746) 7.041 5.999 ( 3.405 5.967 2.348) 7.261 6.503 ( -3.516 -7.157 0.575) 7.994 8.593 ( -0.582 -1.191 -0.080) 1.328 8.829 ( 0.809 1.746 -0.430) 1.972 9.578 ( -7.411 -12.549 0.111) 14.574 ======================= Grid point 62 (47/580) ======================= q-point: ( 0.39 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 13.724 22.169 -3.096) 26.257 3.404 ( 4.618 22.193 0.406) 22.672 4.209 ( 8.819 1.688 -2.261) 9.259 5.552 ( 2.852 7.054 -0.688) 7.640 6.097 ( 2.380 2.245 2.840) 4.332 6.407 ( -1.156 -4.472 1.017) 4.730 8.558 ( -1.633 -1.742 -0.172) 2.394 8.864 ( 1.119 2.009 -0.365) 2.329 9.330 ( -7.696 -11.335 0.193) 13.702 ======================= Grid point 63 (48/580) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( 13.152 17.456 -2.862) 22.042 3.628 ( -2.393 19.435 -0.117) 19.582 4.333 ( 8.771 -4.444 -1.780) 9.993 5.659 ( 1.168 8.016 -0.651) 8.127 6.135 ( 0.394 -1.109 2.992) 3.215 6.381 ( 1.703 -2.973 1.067) 3.588 8.509 ( -1.712 -2.008 -0.230) 2.649 8.900 ( 0.666 2.365 -0.271) 2.472 9.107 ( -6.399 -9.274 0.247) 11.270 ======================= Grid point 64 (49/580) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( 6.416 11.646 -1.222) 13.353 3.723 ( -1.899 13.753 -1.117) 13.929 4.422 ( 6.545 -3.315 -0.797) 7.380 5.742 ( -0.654 8.325 -0.548) 8.369 6.112 ( -1.347 -2.904 2.606) 4.128 6.397 ( 3.258 -3.638 0.610) 4.921 8.465 ( -1.014 -1.880 -0.219) 2.147 8.929 ( -0.242 2.265 -0.164) 2.284 8.942 ( -3.610 -6.429 0.204) 7.376 ======================= Grid point 65 (50/580) ======================= q-point: ( 0.56 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( -4.956 9.136 -0.207) 10.396 3.903 ( 3.571 6.383 -0.306) 7.320 4.479 ( 2.948 -1.635 -0.036) 3.371 5.794 ( -2.550 7.821 -0.220) 8.230 6.063 ( -1.305 -2.712 1.474) 3.351 6.411 ( 3.177 -5.061 -0.142) 5.977 8.440 ( 0.097 -1.396 -0.160) 1.408 8.853 ( -0.206 -4.295 0.060) 4.301 8.945 ( -0.939 2.564 -0.025) 2.731 ======================= Grid point 66 (51/580) ======================= q-point: (-0.39 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( -5.328 9.299 0.083) 10.718 3.930 ( -4.976 0.932 1.556) 5.296 4.485 ( 0.674 -3.380 0.411) 3.471 5.801 ( -5.139 6.600 0.318) 8.370 6.041 ( 1.104 -1.467 -0.178) 1.844 6.402 ( 2.065 -5.558 -0.778) 5.980 8.441 ( 1.258 -0.682 -0.093) 1.434 8.852 ( 3.690 -2.070 -0.063) 4.232 8.947 ( -1.587 2.126 0.095) 2.655 ======================= Grid point 67 (52/580) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( -10.795 6.928 0.447) 12.835 3.781 ( -12.182 2.087 2.418) 12.594 4.443 ( 0.753 -7.720 0.628) 7.782 5.753 ( -7.056 5.059 0.331) 8.688 6.062 ( 2.402 -0.911 -0.986) 2.752 6.374 ( 0.975 -4.527 -1.016) 4.741 8.467 ( 2.161 0.074 -0.049) 2.163 8.930 ( 1.034 0.776 -0.199) 1.308 8.940 ( 4.644 0.314 0.273) 4.662 ======================= Grid point 68 (53/580) ======================= q-point: (-0.28 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( -20.656 -3.432 1.937) 21.028 3.644 ( -16.318 11.206 0.859) 19.814 4.367 ( 0.303 -10.020 0.520) 10.038 5.668 ( -7.701 3.267 0.076) 8.366 6.079 ( 0.672 -1.091 -0.888) 1.559 6.354 ( 1.545 -2.470 -0.817) 3.026 8.512 ( 2.542 0.618 -0.032) 2.616 8.906 ( -2.200 0.474 0.153) 2.256 9.103 ( 11.293 0.816 -0.017) 11.322 ======================= Grid point 69 (54/580) ======================= q-point: (-0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( -25.627 -2.677 1.254) 25.797 3.407 ( -21.901 6.217 0.470) 22.772 4.244 ( -5.925 -6.588 0.182) 8.862 5.560 ( -7.591 1.388 -0.049) 7.717 6.050 ( -2.785 -0.931 -0.415) 2.966 6.387 ( 4.584 -0.636 -0.404) 4.645 8.560 ( 2.225 0.665 -0.023) 2.322 8.871 ( -2.163 -0.129 0.113) 2.170 9.327 ( 13.781 0.890 0.018) 13.809 ======================= Grid point 70 (55/580) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -28.546 -0.000 0.000) 28.546 3.035 ( -25.048 -0.000 0.000) 25.048 4.023 ( -16.519 -0.000 0.000) 16.519 5.442 ( -6.951 -0.000 0.000) 6.951 5.965 ( -6.506 -0.000 0.000) 6.506 6.495 ( 8.286 0.000 -0.000) 8.286 8.594 ( 1.237 0.000 -0.000) 1.237 8.835 ( -1.827 -0.000 0.000) 1.827 9.576 ( 14.648 0.000 -0.000) 14.648 ======================= Grid point 77 (56/580) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -0.000 30.898 -0.217) 30.899 2.280 ( 0.000 21.454 2.461) 21.594 3.557 ( -0.000 34.276 -1.367) 34.303 5.235 ( -0.000 3.914 -1.163) 4.083 5.804 ( 0.000 11.377 1.683) 11.501 6.729 ( -0.000 -9.977 -0.317) 9.982 8.570 ( 0.000 -0.675 0.004) 0.675 8.818 ( -0.000 1.958 -0.467) 2.013 9.917 ( 0.000 -13.338 0.164) 13.339 ======================= Grid point 78 (57/580) ======================= q-point: ( 0.28 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 3.346 30.650 -1.039) 30.850 2.582 ( 10.680 19.038 2.021) 21.922 3.872 ( 0.656 28.119 -1.769) 28.182 5.296 ( 2.889 4.083 -1.078) 5.117 5.923 ( 1.039 9.527 2.006) 9.792 6.615 ( -2.185 -8.881 0.003) 9.145 8.571 ( 1.034 -1.156 -0.008) 1.551 8.830 ( -0.437 1.723 -0.456) 1.835 9.759 ( -2.851 -13.827 0.133) 14.119 ======================= Grid point 79 (58/580) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 6.116 28.630 -1.896) 29.337 2.996 ( 15.744 16.954 1.357) 23.176 4.098 ( -0.898 18.921 -2.216) 19.072 5.404 ( 4.922 4.738 -0.929) 6.895 6.030 ( 1.274 6.615 2.435) 7.163 6.492 ( -2.992 -6.650 0.480) 7.308 8.574 ( 0.748 -1.797 -0.078) 1.948 8.840 ( -0.017 1.770 -0.426) 1.821 9.556 ( -5.034 -13.502 0.155) 14.411 ======================= Grid point 80 (59/580) ======================= q-point: ( 0.39 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 8.235 25.090 -2.476) 26.523 3.427 ( 14.974 15.801 0.734) 21.782 4.196 ( -2.412 8.508 -2.388) 9.160 5.543 ( 5.367 5.864 -0.839) 7.993 6.104 ( 0.862 3.061 2.895) 4.300 6.396 ( -2.193 -3.962 0.859) 4.609 8.555 ( -0.568 -2.420 -0.212) 2.495 8.866 ( 0.952 2.103 -0.321) 2.331 9.333 ( -6.169 -12.258 0.234) 13.725 ======================= Grid point 81 (60/580) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 9.227 20.412 -2.569) 22.547 3.780 ( 7.256 14.093 -0.285) 15.853 4.205 ( 0.666 1.207 -1.508) 2.043 5.687 ( 4.180 7.048 -0.832) 8.236 6.132 ( -0.099 -0.515 3.153) 3.197 6.345 ( -0.548 -2.511 0.921) 2.730 8.510 ( -1.399 -2.748 -0.317) 3.099 8.908 ( 1.269 2.493 -0.181) 2.803 9.118 ( -5.981 -10.198 0.298) 11.827 ======================= Grid point 82 (61/580) ======================= q-point: ( 0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.660 ( 8.331 14.889 -2.033) 17.182 3.885 ( -3.401 3.999 -1.834) 5.561 4.313 ( 6.930 6.397 0.472) 9.443 5.809 ( 1.866 7.432 -0.772) 7.701 6.113 ( -1.052 -2.674 2.952) 4.119 6.325 ( 0.983 -3.320 0.622) 3.518 8.459 ( -1.200 -2.689 -0.327) 2.963 8.938 ( -3.683 -6.525 0.281) 7.498 8.954 ( -0.020 1.599 -0.071) 1.600 ======================= Grid point 83 (62/580) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( -1.625 -0.384 -0.942) 1.917 3.906 ( 4.488 8.584 -1.538) 9.808 4.481 ( 2.097 9.221 0.908) 9.500 5.886 ( -0.417 5.759 -0.301) 5.782 6.073 ( -1.558 -1.810 1.970) 3.096 6.311 ( 2.135 -5.102 0.027) 5.531 8.421 ( -0.238 -2.258 -0.257) 2.285 8.823 ( -1.769 -5.235 0.161) 5.528 8.984 ( -0.269 2.794 0.017) 2.807 ======================= Grid point 84 (63/580) ======================= q-point: (-0.39 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( 1.216 -0.507 -0.447) 1.391 4.004 ( -0.902 3.882 -0.068) 3.986 4.547 ( -4.338 7.164 0.933) 8.427 5.912 ( -1.285 3.114 0.620) 3.425 6.040 ( -2.078 0.634 0.211) 2.183 6.299 ( 2.863 -5.715 -0.513) 6.413 8.408 ( 1.044 -1.543 -0.160) 1.870 8.781 ( 1.578 -2.996 0.022) 3.386 8.996 ( -1.320 2.356 0.075) 2.701 ======================= Grid point 85 (64/580) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.844 ( 1.653 2.766 0.151) 3.225 3.947 ( -7.321 -0.023 0.688) 7.353 4.479 ( -8.796 1.770 0.763) 9.005 5.905 ( -4.200 3.261 0.969) 5.405 6.021 ( 0.216 -0.157 -0.936) 0.973 6.296 ( 2.683 -4.309 -0.659) 5.119 8.425 ( 2.224 -0.725 -0.080) 2.340 8.818 ( 5.240 -1.198 -0.055) 5.375 8.986 ( -2.154 1.549 0.101) 2.655 ======================= Grid point 86 (65/580) ======================= q-point: (-0.28 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( -15.857 -0.787 0.816) 15.897 3.929 ( -2.734 6.160 0.189) 6.742 4.315 ( -7.132 -4.700 0.383) 8.550 5.829 ( -7.607 2.140 0.293) 7.907 6.041 ( 2.272 -0.581 -0.546) 2.408 6.302 ( 1.946 -1.915 -0.415) 2.761 8.466 ( 2.954 -0.094 -0.029) 2.956 8.931 ( 7.929 -0.071 -0.089) 7.930 8.957 ( -1.694 0.584 0.126) 1.796 ======================= Grid point 87 (66/580) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( -21.657 -0.000 0.000) 21.657 3.788 ( -17.722 -0.000 0.000) 17.722 4.241 ( 0.715 0.000 -0.000) 0.715 5.703 ( -8.201 -0.000 0.000) 8.201 6.064 ( 0.478 0.000 -0.000) 0.478 6.326 ( 2.263 0.000 -0.000) 2.263 8.517 ( 2.979 0.000 -0.000) 2.979 8.912 ( -2.616 -0.000 0.000) 2.616 9.111 ( 11.875 0.000 -0.000) 11.875 ======================= Grid point 96 (67/580) ======================= q-point: ( 0.28 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -0.000 31.018 -1.342) 31.047 2.668 ( 0.000 16.767 2.142) 16.903 4.130 ( -0.000 24.780 -2.108) 24.870 5.304 ( -0.000 3.667 -1.084) 3.824 6.010 ( 0.000 8.225 2.222) 8.520 6.553 ( 0.000 -7.432 0.236) 7.436 8.549 ( 0.000 -1.456 0.020) 1.457 8.847 ( -0.000 1.310 -0.501) 1.403 9.645 ( 0.000 -14.180 0.132) 14.181 ======================= Grid point 97 (68/580) ======================= q-point: ( 0.33 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 1.889 29.345 -1.665) 29.453 2.919 ( 10.305 14.346 1.557) 17.732 4.317 ( -2.629 18.218 -2.431) 18.566 5.367 ( 3.548 3.702 -0.964) 5.218 6.088 ( 0.151 5.860 2.514) 6.378 6.477 ( -1.706 -4.966 0.614) 5.286 8.541 ( 0.799 -1.849 -0.008) 2.014 8.855 ( -0.135 1.132 -0.514) 1.250 9.486 ( -2.462 -13.702 0.148) 13.922 ======================= Grid point 98 (69/580) ======================= q-point: ( 0.39 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 3.499 26.120 -2.009) 26.430 3.280 ( 16.008 11.442 0.823) 19.694 4.376 ( -6.259 10.787 -2.455) 12.710 5.488 ( 6.232 4.344 -0.839) 7.643 6.138 ( -0.291 2.807 2.832) 3.998 6.408 ( -2.375 -2.216 0.898) 3.370 8.532 ( 0.330 -2.318 -0.125) 2.345 8.869 ( 0.628 1.353 -0.415) 1.548 9.301 ( -4.196 -12.328 0.207) 13.024 ======================= Grid point 99 (70/580) ======================= q-point: ( 0.44 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( 4.793 21.523 -2.245) 22.164 3.657 ( 15.946 7.337 -0.022) 17.553 4.325 ( -7.523 6.401 -1.683) 10.020 5.649 ( 6.994 5.378 -0.827) 8.861 6.147 ( -1.063 -0.441 3.051) 3.261 6.357 ( -2.353 -0.763 0.901) 2.633 8.502 ( -0.874 -2.630 -0.270) 2.784 8.903 ( 1.665 1.755 -0.220) 2.429 9.111 ( -4.931 -10.172 0.267) 11.308 ======================= Grid point 100 (71/580) ======================= q-point: ( 0.50 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.688 ( 5.440 15.661 -2.009) 16.700 3.878 ( 4.339 -1.403 -1.773) 4.892 4.331 ( 1.670 10.608 0.461) 10.749 5.813 ( 5.420 6.102 -0.937) 8.216 6.115 ( -1.510 -2.782 3.047) 4.393 6.312 ( -2.093 -1.564 0.629) 2.687 8.454 ( -1.447 -2.590 -0.322) 2.984 8.936 ( -2.961 -5.651 0.296) 6.387 8.960 ( 0.282 0.098 -0.080) 0.309 ======================= Grid point 101 (72/580) ======================= q-point: ( 0.56 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.809 ( -1.474 -4.358 -1.485) 4.834 3.918 ( 3.896 9.576 -1.571) 10.457 4.535 ( 5.518 11.927 1.052) 13.184 5.925 ( 1.263 4.289 -0.646) 4.518 6.078 ( -0.241 -1.878 2.304) 2.982 6.258 ( -1.229 -3.533 0.190) 3.746 8.408 ( -0.999 -2.180 -0.266) 2.412 8.813 ( -3.009 -5.164 0.208) 5.980 9.002 ( 1.090 2.161 0.017) 2.420 ======================= Grid point 102 (73/580) ======================= q-point: ( 0.61 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.745 ( 0.694 -4.017 -0.788) 4.152 4.043 ( 1.504 5.322 -0.607) 5.564 4.692 ( -0.658 9.282 0.860) 9.345 5.936 ( -0.933 -0.161 0.596) 1.119 6.088 ( -0.374 2.053 0.350) 2.116 6.212 ( 0.732 -4.340 -0.188) 4.405 8.381 ( 0.150 -1.476 -0.161) 1.492 8.743 ( -0.551 -2.900 0.083) 2.953 9.030 ( -0.152 1.741 0.052) 1.748 ======================= Grid point 103 (74/580) ======================= q-point: (-0.33 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( 5.019 -1.466 -0.205) 5.232 4.056 ( -3.836 1.405 0.033) 4.085 4.683 ( -8.461 4.341 0.490) 9.523 5.930 ( 0.626 -0.299 0.546) 0.883 6.076 ( -3.403 1.634 -0.266) 3.784 6.207 ( 2.899 -2.745 -0.276) 4.002 8.385 ( 1.496 -0.651 -0.064) 1.632 8.740 ( 2.534 -1.090 0.002) 2.759 9.030 ( -1.426 0.933 0.043) 1.705 ======================= Grid point 104 (75/580) ======================= q-point: (-0.28 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( 6.031 0.000 -0.000) 6.031 3.945 ( -8.946 -0.000 0.000) 8.946 4.510 ( -13.437 -0.000 0.000) 13.437 5.937 ( -1.872 -0.000 0.000) 1.872 6.019 ( -2.074 -0.000 0.000) 2.074 6.248 ( 3.149 0.000 -0.000) 3.149 8.417 ( 2.555 0.000 -0.000) 2.555 8.806 ( 5.796 0.000 -0.000) 5.796 9.002 ( -2.328 -0.000 0.000) 2.328 ======================= Grid point 115 (76/580) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 0.000 12.007 1.744) 12.134 3.077 ( -0.000 28.554 -2.071) 28.629 4.495 ( -0.000 13.766 -2.616) 14.013 5.364 ( -0.000 3.028 -0.887) 3.155 6.145 ( 0.000 4.000 2.630) 4.787 6.457 ( 0.000 -2.436 0.871) 2.587 8.516 ( 0.000 -1.877 0.037) 1.877 8.863 ( -0.000 0.622 -0.586) 0.855 9.375 ( 0.000 -13.038 0.132) 13.039 ======================= Grid point 116 (77/580) ======================= q-point: ( 0.39 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 9.523 9.422 1.404) 13.470 3.345 ( 0.629 25.624 -2.339) 25.739 4.559 ( -4.353 8.298 -2.529) 9.705 5.428 ( 4.357 3.005 -0.756) 5.346 6.176 ( -0.500 1.491 2.726) 3.147 6.435 ( -1.553 0.109 1.044) 1.874 8.503 ( 0.505 -1.981 -0.006) 2.044 8.868 ( 0.331 0.527 -0.541) 0.824 9.237 ( -2.043 -11.493 0.145) 11.674 ======================= Grid point 117 (78/580) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( 14.364 6.223 0.747) 15.672 3.583 ( 1.409 20.856 -2.356) 21.036 4.508 ( -7.503 4.542 -1.924) 8.979 5.563 ( 7.647 3.656 -0.692) 8.504 6.170 ( -1.368 -1.052 2.733) 3.232 6.409 ( -2.842 1.307 0.969) 3.274 8.487 ( -0.132 -2.061 -0.128) 2.069 8.887 ( 1.433 0.757 -0.344) 1.656 9.088 ( -3.414 -9.209 0.174) 9.823 ======================= Grid point 118 (79/580) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 9.242 2.931 -0.659) 9.718 3.794 ( 4.094 13.356 -1.638) 14.065 4.433 ( -4.121 5.069 -0.641) 6.564 5.742 ( 8.464 4.438 -0.789) 9.590 6.127 ( -2.135 -2.891 2.631) 4.454 6.364 ( -4.009 0.590 0.657) 4.105 8.455 ( -1.235 -1.946 -0.217) 2.315 8.923 ( 0.675 -1.351 0.063) 1.512 8.954 ( -2.185 -4.181 -0.000) 4.718 ======================= Grid point 119 (80/580) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( 0.054 -2.784 -1.127) 3.004 3.950 ( 2.572 8.730 -1.194) 9.179 4.522 ( 6.556 7.234 0.481) 9.775 5.912 ( 5.794 4.568 -1.123) 7.463 6.067 ( -1.465 -3.527 2.479) 4.553 6.288 ( -4.588 -1.044 0.262) 4.713 8.411 ( -1.596 -1.523 -0.194) 2.215 8.825 ( -3.598 -4.108 0.173) 5.464 8.989 ( 2.407 1.194 -0.027) 2.687 ======================= Grid point 120 (81/580) ======================= q-point: ( 0.61 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.722 ( -2.166 -2.460 -0.566) 3.326 4.054 ( 2.341 3.894 -0.516) 4.573 4.714 ( 6.597 4.934 0.425) 8.249 5.962 ( -1.975 0.220 0.005) 1.987 6.077 ( 3.298 0.433 0.638) 3.386 6.203 ( -3.231 -1.719 0.001) 3.659 8.376 ( -0.967 -0.823 -0.099) 1.273 8.744 ( -2.324 -1.823 0.073) 2.955 9.032 ( 1.412 0.801 0.017) 1.624 ======================= Grid point 121 (82/580) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( 1.324 0.000 -0.000) 1.324 4.095 ( 0.167 0.000 -0.000) 0.167 4.793 ( -1.002 -0.000 0.000) 1.002 5.931 ( -1.049 -0.000 0.000) 1.049 6.111 ( 0.147 0.000 -0.000) 0.147 6.167 ( 0.030 0.000 -0.000) 0.030 8.366 ( 0.256 0.000 -0.000) 0.256 8.714 ( -0.141 -0.000 0.000) 0.141 9.048 ( -0.073 -0.000 0.000) 0.073 ======================= Grid point 134 (83/580) ======================= q-point: ( 0.39 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 0.000 7.546 1.248) 7.649 3.576 ( -0.000 23.006 -2.257) 23.116 4.655 ( -0.000 4.790 -2.356) 5.338 5.411 ( -0.000 2.131 -0.617) 2.219 6.195 ( 0.000 -0.265 2.551) 2.565 6.463 ( 0.000 2.011 1.112) 2.298 8.480 ( 0.000 -1.720 0.043) 1.721 8.866 ( -0.000 0.103 -0.560) 0.570 9.149 ( 0.000 -9.800 0.097) 9.800 ======================= Grid point 135 (84/580) ======================= q-point: ( 0.44 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( 8.680 5.178 0.838) 10.142 3.769 ( -0.628 18.260 -2.038) 18.384 4.642 ( -4.626 2.212 -1.814) 5.439 5.475 ( 5.298 2.078 -0.501) 5.713 6.184 ( -0.934 -1.750 2.273) 3.017 6.474 ( -1.927 2.545 0.954) 3.331 8.468 ( 0.274 -1.489 -0.003) 1.514 8.871 ( 0.755 0.068 -0.415) 0.864 9.049 ( -1.689 -7.433 0.079) 7.623 ======================= Grid point 136 (85/580) ======================= q-point: ( 0.50 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( 12.345 2.366 0.230) 12.572 3.901 ( -0.479 12.033 -1.479) 12.133 4.554 ( -6.238 1.462 -0.976) 6.481 5.621 ( 9.013 2.449 -0.472) 9.351 6.143 ( -2.003 -2.433 1.848) 3.654 6.448 ( -3.936 1.671 0.605) 4.319 8.454 ( -0.457 -1.187 -0.079) 1.275 8.893 ( 1.683 -0.193 -0.134) 1.699 8.952 ( -2.507 -4.345 0.024) 5.017 ======================= Grid point 137 (86/580) ======================= q-point: ( 0.56 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.718 ( 6.732 -0.234 -0.282) 6.742 3.988 ( 0.984 5.566 -0.698) 5.696 4.503 ( -0.067 1.933 -0.130) 1.939 5.807 ( 9.712 2.170 -0.463) 9.962 6.083 ( -2.833 -2.046 1.213) 3.699 6.377 ( -5.568 0.353 0.230) 5.584 8.427 ( -1.462 -0.708 -0.082) 1.626 8.853 ( -3.297 -2.260 0.087) 3.998 8.950 ( 2.783 0.344 -0.063) 2.805 ======================= Grid point 138 (87/580) ======================= q-point: (-0.39 -0.61 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.750 ( -1.431 -0.000 0.000) 1.431 4.037 ( 1.774 0.000 -0.000) 1.774 4.597 ( 8.388 0.000 -0.000) 8.388 5.966 ( 6.420 0.000 -0.000) 6.420 6.025 ( -1.807 -0.000 0.000) 1.807 6.278 ( -5.839 -0.000 0.000) 5.839 8.396 ( -1.668 -0.000 0.000) 1.668 8.784 ( -3.330 -0.000 0.000) 3.330 9.001 ( 2.667 0.000 -0.000) 2.667 ======================= Grid point 154 (88/580) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 0.000 3.582 0.655) 3.641 3.929 ( -0.000 13.392 -1.589) 13.486 4.692 ( -0.000 0.812 -1.333) 1.561 5.440 ( -0.000 1.094 -0.314) 1.138 6.179 ( 0.000 -1.955 1.684) 2.580 6.519 ( 0.000 2.439 0.740) 2.549 8.452 ( 0.000 -1.018 0.029) 1.019 8.863 ( -0.000 -0.160 -0.332) 0.368 9.002 ( 0.000 -5.073 0.024) 5.073 ======================= Grid point 155 (89/580) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 8.019 1.623 0.279) 8.186 4.012 ( -1.450 6.777 -0.856) 6.983 4.654 ( -4.372 0.284 -0.639) 4.427 5.502 ( 6.103 0.799 -0.186) 6.158 6.156 ( -1.180 -1.384 0.941) 2.047 6.520 ( -2.358 1.294 0.372) 2.716 8.447 ( 0.158 -0.549 -0.001) 0.571 8.868 ( 0.914 -0.150 -0.136) 0.936 8.952 ( -1.404 -2.417 0.001) 2.795 ======================= Grid point 156 (90/580) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( 11.292 0.000 -0.000) 11.292 4.018 ( -1.126 -0.000 0.000) 1.126 4.565 ( -5.396 -0.000 0.000) 5.396 5.646 ( 9.709 0.000 -0.000) 9.709 6.120 ( -2.295 -0.000 0.000) 2.295 6.468 ( -4.469 -0.000 0.000) 4.469 8.442 ( -0.571 -0.000 0.000) 0.571 8.882 ( -0.310 -0.000 0.000) 0.310 8.918 ( -0.099 -0.000 0.000) 0.099 ======================= Grid point 175 (91/580) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 820 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.548 ( 0.000 0.000 0.000) 0.000 8.442 ( 0.000 0.000 0.000) 0.000 8.859 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 350 (92/580) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.112 ( 0.000 -0.000 13.109) 13.109 0.112 ( 0.000 -0.000 13.109) 13.109 0.166 ( 0.000 -0.000 19.272) 19.272 5.052 ( -0.000 0.000 -0.310) 0.310 5.052 ( -0.000 0.000 -0.310) 0.310 7.270 ( -0.000 0.000 -0.344) 0.344 8.555 ( 0.000 -0.000 0.024) 0.024 8.555 ( 0.000 -0.000 0.024) 0.024 10.572 ( 0.000 -0.000 0.015) 0.015 ======================= Grid point 351 (93/580) ======================= q-point: ( 0.11 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 12.994 7.502 7.612) 16.825 0.626 ( 26.408 15.246 1.653) 30.538 1.024 ( 42.822 24.723 3.060) 49.541 5.070 ( 1.532 0.884 -0.179) 1.778 5.120 ( 5.889 3.400 -0.265) 6.805 7.226 ( -3.634 -2.098 -0.421) 4.218 8.560 ( 0.370 0.213 0.044) 0.429 8.690 ( 2.561 1.478 -3.227) 4.377 10.464 ( -4.344 -2.508 1.770) 5.319 ======================= Grid point 352 (94/580) ======================= q-point: ( 0.17 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 18.903 10.914 1.254) 21.864 1.215 ( 24.991 14.428 0.558) 28.862 1.977 ( 40.333 23.286 1.653) 46.602 5.118 ( 2.672 1.542 -0.104) 3.087 5.302 ( 9.836 5.679 0.038) 11.358 7.108 ( -6.552 -3.783 -0.392) 7.576 8.570 ( 0.437 0.252 0.052) 0.507 8.732 ( 1.994 1.151 -1.290) 2.639 10.341 ( -6.944 -4.009 0.546) 8.037 ======================= Grid point 353 (95/580) ======================= q-point: ( 0.22 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 23.383 13.500 -2.232) 27.092 1.752 ( 22.176 12.803 0.263) 25.608 2.846 ( 35.817 20.679 0.640) 41.363 5.187 ( 3.339 1.928 -0.092) 3.857 5.545 ( 11.089 6.402 0.606) 12.818 6.937 ( -8.249 -4.762 -0.172) 9.526 8.577 ( 0.071 0.041 0.046) 0.094 8.774 ( 1.940 1.120 -0.785) 2.374 10.153 ( -9.674 -5.586 0.108) 11.172 ======================= Grid point 354 (96/580) ======================= q-point: ( 0.28 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 25.734 14.858 -4.051) 29.990 2.215 ( 18.548 10.709 0.206) 21.419 3.589 ( 29.467 17.013 -0.403) 34.027 5.265 ( 3.494 2.017 -0.126) 4.037 5.791 ( 10.039 5.796 1.294) 11.664 6.747 ( -8.229 -4.751 0.293) 9.507 8.571 ( -0.627 -0.362 0.024) 0.724 8.813 ( 1.661 0.959 -0.618) 2.014 9.910 ( -11.646 -6.724 -0.087) 13.447 ======================= Grid point 355 (97/580) ======================= q-point: ( 0.33 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 25.877 14.940 -4.792) 30.262 2.590 ( 14.485 8.363 0.266) 16.728 4.163 ( 21.163 12.219 -1.481) 24.482 5.341 ( 3.207 1.851 -0.178) 3.707 5.994 ( 7.325 4.229 1.979) 8.687 6.583 ( -5.943 -3.431 0.957) 6.928 8.548 ( -1.358 -0.784 -0.005) 1.568 8.845 ( 1.241 0.716 -0.581) 1.546 9.635 ( -12.288 -7.094 -0.099) 14.189 ======================= Grid point 356 (98/580) ======================= q-point: ( 0.39 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 10.354 5.978 0.388) 11.963 2.910 ( 23.829 13.758 -4.698) 27.913 4.530 ( 11.666 6.735 -2.260) 13.659 5.406 ( 2.604 1.504 -0.226) 3.016 6.125 ( 3.519 2.032 2.502) 4.772 6.499 ( -1.637 -0.945 1.499) 2.412 8.512 ( -1.770 -1.022 -0.023) 2.045 8.866 ( 0.819 0.473 -0.575) 1.107 9.366 ( -11.159 -6.443 -0.007) 12.886 ======================= Grid point 357 (99/580) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 6.484 3.743 0.523) 7.505 3.392 ( 19.321 11.155 -3.729) 22.620 4.694 ( 4.128 2.383 -2.227) 5.261 5.456 ( 1.816 1.048 -0.263) 2.113 6.167 ( -0.355 -0.205 2.583) 2.615 6.512 ( 1.937 1.119 1.423) 2.652 8.472 ( -1.640 -0.947 -0.012) 1.894 8.879 ( 0.488 0.282 -0.520) 0.767 9.143 ( -8.284 -4.783 0.061) 9.566 ======================= Grid point 358 (100/580) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 3.046 1.758 0.643) 3.575 3.742 ( 11.706 6.759 -1.686) 13.622 4.739 ( 0.931 0.538 -1.498) 1.844 5.487 ( 0.938 0.541 -0.293) 1.121 6.140 ( -2.068 -1.194 1.975) 3.098 6.566 ( 1.976 1.141 0.659) 2.375 8.442 ( -0.974 -0.563 0.030) 1.125 8.886 ( 0.271 0.156 -0.377) 0.490 8.999 ( -4.323 -2.496 0.035) 4.992 ======================= Grid point 359 (101/580) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -0.054 -0.031 0.745) 0.748 3.889 ( 1.010 0.583 1.215) 1.684 4.749 ( 0.455 0.263 -0.549) 0.760 5.497 ( 0.027 0.016 -0.324) 0.326 6.108 ( -0.680 -0.392 0.627) 1.004 6.587 ( -0.350 -0.202 -0.368) 0.547 8.430 ( 0.009 0.005 0.085) 0.085 8.890 ( 0.107 0.062 -0.171) 0.211 8.950 ( -0.020 -0.011 -0.037) 0.044 ======================= Grid point 360 (102/580) ======================= q-point: (-0.39 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( -3.145 -1.816 0.852) 3.730 3.790 ( -10.210 -5.895 3.723) 12.363 4.756 ( -0.107 -0.062 0.395) 0.413 5.486 ( -0.885 -0.511 -0.366) 1.086 6.116 ( 1.113 0.642 -0.717) 1.471 6.549 ( -2.554 -1.475 -1.240) 3.199 8.442 ( 0.983 0.567 0.120) 1.141 8.890 ( -0.083 -0.048 0.023) 0.098 8.999 ( 4.309 2.488 -0.051) 4.976 ======================= Grid point 361 (103/580) ======================= q-point: (-0.33 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -6.566 -3.791 0.980) 7.645 3.468 ( -18.682 -10.786 4.890) 22.119 4.723 ( -3.706 -2.139 0.945) 4.382 5.455 ( -1.768 -1.021 -0.423) 2.085 6.132 ( 0.042 0.025 -1.270) 1.271 6.485 ( -2.125 -1.227 -1.634) 2.948 8.473 ( 1.628 0.940 0.113) 1.883 8.886 ( -0.362 -0.209 0.174) 0.453 9.143 ( 8.327 4.807 0.017) 9.615 ======================= Grid point 362 (104/580) ======================= q-point: (-0.28 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -10.431 -6.022 1.127) 12.098 2.996 ( -23.791 -13.736 4.951) 27.915 4.556 ( -11.882 -6.860 0.703) 13.738 5.404 ( -2.562 -1.479 -0.495) 2.999 6.093 ( -3.365 -1.943 -1.052) 4.025 6.473 ( 1.908 1.102 -1.440) 2.632 8.513 ( 1.742 1.006 0.072) 2.013 8.874 ( -0.755 -0.436 0.255) 0.908 9.367 ( 11.228 6.482 0.135) 12.965 ======================= Grid point 363 (105/580) ======================= q-point: (-0.22 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -26.258 -15.160 4.362) 30.632 2.599 ( -14.579 -8.417 1.278) 16.883 4.176 ( -21.683 -12.519 -0.038) 25.037 5.337 ( -3.163 -1.826 -0.572) 3.696 5.973 ( -7.025 -4.056 -0.484) 8.127 6.566 ( 6.418 3.705 -0.927) 7.468 8.548 ( 1.327 0.766 0.020) 1.532 8.852 ( -1.205 -0.696 0.270) 1.417 9.638 ( 12.308 7.106 0.209) 14.213 ======================= Grid point 364 (106/580) ======================= q-point: (-0.17 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -26.527 -15.316 3.417) 30.821 2.225 ( -18.683 -10.787 1.429) 21.620 3.586 ( -29.952 -17.293 -0.674) 34.593 5.260 ( -3.434 -1.983 -0.630) 4.015 5.779 ( -9.754 -5.632 0.033) 11.263 6.740 ( 8.621 4.977 -0.473) 9.966 8.571 ( 0.605 0.350 -0.018) 0.699 8.821 ( -1.606 -0.927 0.230) 1.869 9.912 ( 11.570 6.680 0.184) 13.361 ======================= Grid point 365 (107/580) ======================= q-point: (-0.11 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -24.711 -14.267 2.408) 28.635 1.764 ( -22.372 -12.916 1.619) 25.883 2.831 ( -36.221 -20.912 -0.980) 41.836 5.182 ( -3.246 -1.874 -0.640) 3.802 5.543 ( -10.873 -6.278 0.372) 12.561 6.936 ( 8.487 4.900 -0.235) 9.803 8.576 ( -0.079 -0.046 -0.031) 0.097 8.782 ( -1.810 -1.045 0.115) 2.093 10.153 ( 9.509 5.490 0.117) 10.980 ======================= Grid point 366 (108/580) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -20.915 -12.076 2.059) 24.239 1.227 ( -25.291 -14.602 1.971) 29.270 1.954 ( -40.710 -23.504 -0.883) 47.017 5.114 ( -2.532 -1.462 -0.582) 2.981 5.306 ( -9.753 -5.631 0.452) 11.271 7.110 ( 6.665 3.848 -0.177) 7.698 8.569 ( -0.434 -0.250 -0.023) 0.501 8.742 ( -1.666 -0.962 -0.223) 1.937 10.338 ( 6.678 3.855 0.180) 7.713 ======================= Grid point 369 (109/580) ======================= q-point: ( 0.11 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 0.000 14.650 9.429) 17.422 0.673 ( 0.000 30.184 4.772) 30.559 1.005 ( 0.000 48.993 1.799) 49.026 5.062 ( -0.000 1.463 -0.728) 1.635 5.125 ( 0.000 7.107 0.103) 7.108 7.225 ( -0.000 -4.234 -0.540) 4.268 8.560 ( 0.000 0.408 0.024) 0.408 8.681 ( -0.000 3.598 -3.405) 4.954 10.470 ( 0.000 -5.342 1.895) 5.668 ======================= Grid point 370 (110/580) ======================= q-point: ( 0.17 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 8.311 17.751 4.379) 20.084 1.106 ( 13.446 27.757 2.338) 30.930 1.708 ( 24.544 39.468 1.418) 46.499 5.096 ( 1.920 2.128 -0.625) 2.933 5.249 ( 4.804 9.308 0.270) 10.478 7.143 ( -3.359 -5.970 -0.569) 6.874 8.569 ( 0.414 0.643 0.037) 0.765 8.714 ( 1.142 2.116 -1.753) 2.976 10.384 ( -3.669 -6.268 0.880) 7.316 ======================= Grid point 371 (111/580) ======================= q-point: ( 0.22 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 15.123 19.707 -0.167) 24.842 1.623 ( 15.603 24.744 1.154) 29.276 2.522 ( 29.541 29.886 0.702) 42.028 5.160 ( 2.733 2.926 -0.467) 4.031 5.457 ( 8.119 9.487 0.673) 12.505 6.998 ( -5.810 -7.076 -0.429) 9.166 8.582 ( 0.098 0.887 0.044) 0.894 8.750 ( 1.635 1.325 -1.001) 2.331 10.229 ( -6.722 -7.655 0.313) 10.192 ======================= Grid point 372 (112/580) ======================= q-point: ( 0.28 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 19.874 20.301 -2.844) 28.552 2.108 ( 13.739 22.153 0.733) 26.078 3.274 ( 28.458 21.845 -0.254) 35.877 5.240 ( 2.889 3.624 -0.410) 4.653 5.697 ( 9.054 8.159 1.296) 12.256 6.816 ( -6.812 -7.313 -0.059) 9.994 8.586 ( -0.715 0.798 0.037) 1.072 8.789 ( 1.868 0.782 -0.706) 2.144 10.011 ( -9.226 -8.798 0.026) 12.749 ======================= Grid point 373 (113/580) ======================= q-point: ( 0.33 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 22.307 19.558 -4.072) 29.945 2.521 ( 10.375 19.526 0.611) 22.120 3.897 ( 23.880 14.151 -1.304) 27.788 5.323 ( 2.509 4.129 -0.412) 4.850 5.918 ( 7.906 5.930 1.963) 10.076 6.638 ( -5.824 -6.325 0.538) 8.614 8.572 ( -1.600 0.363 0.013) 1.641 8.824 ( 1.696 0.516 -0.611) 1.875 9.751 ( -10.701 -9.293 -0.053) 14.173 ======================= Grid point 374 (114/580) ======================= q-point: ( 0.39 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 22.436 17.631 -4.272) 28.853 2.844 ( 6.534 16.735 0.608) 17.975 4.341 ( 16.768 6.477 -2.201) 18.110 5.401 ( 1.721 4.463 -0.430) 4.802 6.082 ( 5.187 3.204 2.524) 6.599 6.515 ( -2.605 -3.986 1.171) 4.904 8.541 ( -2.181 -0.115 -0.014) 2.184 8.852 ( 1.237 0.465 -0.590) 1.447 9.477 ( -10.642 -8.848 0.010) 13.840 ======================= Grid point 375 (115/580) ======================= q-point: ( 0.44 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 2.819 13.849 0.785) 14.155 3.167 ( 20.196 14.566 -3.749) 25.181 4.583 ( 9.289 0.076 -2.466) 9.611 5.465 ( 0.667 4.680 -0.444) 4.748 6.164 ( 1.506 0.315 2.776) 3.174 6.484 ( 1.480 -1.403 1.380) 2.462 8.500 ( -2.240 -0.325 -0.022) 2.263 8.871 ( 0.717 0.512 -0.558) 1.043 9.230 ( -8.791 -7.374 0.090) 11.475 ======================= Grid point 376 (116/580) ======================= q-point: ( 0.50 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( -0.494 11.179 0.821) 11.220 3.586 ( 15.212 10.107 -2.157) 18.390 4.672 ( 4.656 -3.246 -1.960) 6.004 5.511 ( -0.541 4.822 -0.446) 4.873 6.162 ( -1.405 -1.774 2.527) 3.393 6.524 ( 3.242 -0.648 0.866) 3.417 8.463 ( -1.746 -0.145 0.003) 1.752 8.884 ( 0.296 0.570 -0.460) 0.790 9.045 ( -5.456 -5.143 0.080) 7.498 ======================= Grid point 377 (117/580) ======================= q-point: ( 0.56 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( -3.360 8.978 0.901) 9.628 3.846 ( 6.780 4.154 0.294) 7.956 4.694 ( 3.290 -4.027 -1.134) 5.323 5.537 ( -1.861 4.771 -0.420) 5.139 6.118 ( -1.506 -2.021 1.571) 2.970 6.562 ( 1.968 -1.712 -0.063) 2.610 8.441 ( -0.854 0.332 0.050) 0.917 8.891 ( 0.012 0.566 -0.292) 0.637 8.949 ( -1.383 -2.642 -0.007) 2.982 ======================= Grid point 378 (118/580) ======================= q-point: (-0.39 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( -6.220 7.318 0.993) 9.655 3.882 ( -4.263 -2.417 2.846) 5.667 4.707 ( 3.111 -4.186 -0.272) 5.223 5.538 ( -3.124 4.172 -0.376) 5.225 6.098 ( 0.696 -0.794 0.178) 1.071 6.550 ( -0.468 -3.055 -0.938) 3.229 8.441 ( 0.170 0.915 0.088) 0.934 8.893 ( -0.208 0.430 -0.129) 0.495 8.948 ( 2.926 -0.173 -0.043) 2.932 ======================= Grid point 379 (119/580) ======================= q-point: (-0.33 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( -9.538 5.873 1.096) 11.255 3.677 ( -14.656 -7.615 4.303) 17.068 4.706 ( 1.489 -5.196 0.400) 5.420 5.512 ( -3.945 3.100 -0.409) 5.034 6.116 ( 1.376 -0.246 -0.701) 1.564 6.492 ( -1.713 -3.329 -1.439) 4.011 8.464 ( 1.013 1.424 0.092) 1.750 8.891 ( -0.410 0.141 0.029) 0.435 9.044 ( 7.210 2.115 -0.012) 7.513 ======================= Grid point 380 (120/580) ======================= q-point: (-0.28 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( -13.474 4.040 1.203) 14.118 3.284 ( -21.978 -10.274 4.523) 24.679 4.626 ( -4.510 -7.964 0.450) 9.163 5.464 ( -4.438 1.976 -0.502) 4.884 6.113 ( -1.062 -1.269 -0.761) 1.821 6.445 ( 0.453 -1.761 -1.400) 2.295 8.501 ( 1.389 1.736 0.061) 2.224 8.882 ( -0.663 -0.307 0.137) 0.743 9.229 ( 10.900 3.906 0.086) 11.580 ======================= Grid point 381 (121/580) ======================= q-point: (-0.22 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -25.596 -11.259 3.614) 28.196 2.859 ( -18.576 2.120 1.655) 18.770 4.371 ( -14.598 -11.537 -0.091) 18.607 5.398 ( -4.768 0.974 -0.591) 4.903 6.041 ( -4.947 -2.788 -0.318) 5.688 6.484 ( 5.255 0.741 -0.992) 5.399 8.541 ( 1.167 1.778 0.015) 2.127 8.863 ( -0.953 -0.822 0.173) 1.270 9.480 ( 13.104 4.752 0.177) 13.940 ======================= Grid point 382 (122/580) ======================= q-point: (-0.17 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -28.330 -11.161 2.906) 30.587 2.533 ( -22.247 0.389 1.478) 22.299 3.906 ( -25.007 -13.772 -0.639) 28.556 5.320 ( -4.869 0.198 -0.646) 4.916 5.892 ( -8.602 -3.798 0.157) 9.405 6.622 ( 8.975 2.360 -0.553) 9.296 8.572 ( 0.468 1.527 -0.019) 1.598 8.834 ( -1.235 -1.224 0.139) 1.744 9.754 ( 13.414 4.522 0.186) 14.157 ======================= Grid point 383 (123/580) ======================= q-point: (-0.11 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -28.358 -9.275 1.871) 29.895 2.119 ( -26.138 -1.657 1.481) 26.232 3.265 ( -33.907 -13.517 -0.808) 36.511 5.236 ( -4.615 -0.233 -0.635) 4.664 5.685 ( -11.147 -3.839 0.451) 11.798 6.812 ( 10.130 2.601 -0.303) 10.462 8.585 ( -0.341 1.015 -0.028) 1.071 8.799 ( -1.477 -1.264 0.018) 1.944 10.013 ( 12.107 3.441 0.138) 12.588 ======================= Grid point 384 (124/580) ======================= q-point: (-0.06 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -26.207 -6.016 1.243) 26.917 1.628 ( -29.303 -2.892 1.419) 29.480 2.505 ( -41.386 -9.684 -0.447) 42.507 5.159 ( -3.921 -0.207 -0.531) 3.962 5.454 ( -11.927 -2.679 0.478) 12.233 7.000 ( 9.214 1.725 -0.242) 9.377 8.582 ( -0.823 0.395 -0.012) 0.913 8.761 ( -1.659 -0.807 -0.273) 1.865 10.226 ( 9.747 1.843 0.166) 9.921 ======================= Grid point 388 (125/580) ======================= q-point: ( 0.17 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.000 21.931 3.961) 22.285 1.276 ( 0.000 28.622 3.519) 28.838 1.950 ( 0.000 46.299 0.435) 46.301 5.099 ( -0.000 2.780 -1.025) 2.963 5.316 ( 0.000 11.597 0.667) 11.616 7.102 ( -0.000 -7.701 -0.666) 7.730 8.569 ( 0.000 0.487 0.022) 0.487 8.726 ( -0.000 2.711 -1.477) 3.087 10.346 ( 0.000 -8.136 0.743) 8.170 ======================= Grid point 389 (126/580) ======================= q-point: ( 0.22 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 6.163 24.596 1.213) 25.385 1.662 ( 10.846 26.838 2.484) 29.053 2.502 ( 12.762 39.825 0.077) 41.820 5.146 ( 2.133 3.324 -0.969) 4.066 5.467 ( 3.531 12.058 0.993) 12.603 6.993 ( -2.977 -8.797 -0.597) 9.306 8.582 ( 0.769 0.494 0.022) 0.915 8.750 ( 0.214 2.287 -1.005) 2.507 10.231 ( -3.415 -9.581 0.400) 10.179 ======================= Grid point 390 (127/580) ======================= q-point: ( 0.28 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 11.744 25.421 -1.413) 28.038 2.135 ( 12.813 25.570 1.543) 28.642 3.113 ( 18.227 29.598 -0.495) 34.764 5.226 ( 3.135 4.085 -0.819) 5.214 5.665 ( 5.773 10.626 1.459) 12.181 6.834 ( -4.896 -9.100 -0.307) 10.338 8.599 ( 0.399 0.575 0.025) 0.700 8.773 ( 0.694 1.518 -0.718) 1.817 10.049 ( -6.341 -10.695 0.135) 12.434 ======================= Grid point 391 (128/580) ======================= q-point: ( 0.33 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 15.910 24.429 -3.025) 29.310 2.583 ( 9.971 24.675 1.059) 26.635 3.671 ( 19.302 18.649 -1.318) 26.872 5.322 ( 3.062 5.038 -0.725) 5.940 5.867 ( 6.356 7.930 2.033) 10.364 6.660 ( -5.100 -8.295 0.208) 9.740 8.600 ( -0.868 0.355 0.009) 0.938 8.801 ( 1.339 0.989 -0.597) 1.768 9.814 ( -8.466 -11.231 0.030) 14.065 ======================= Grid point 392 (129/580) ======================= q-point: ( 0.39 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 18.118 22.018 -3.625) 28.744 2.953 ( 5.414 23.236 0.840) 23.873 4.108 ( 16.866 8.085 -2.116) 18.823 5.420 ( 2.247 5.989 -0.683) 6.433 6.036 ( 5.257 4.657 2.571) 7.479 6.516 ( -3.169 -6.173 0.816) 6.987 8.576 ( -1.930 -0.210 -0.046) 1.942 8.833 ( 1.447 0.969 -0.534) 1.821 9.551 ( -9.345 -10.916 0.072) 14.370 ======================= Grid point 393 (130/580) ======================= q-point: ( 0.44 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( 18.125 18.485 -3.389) 26.109 3.224 ( 0.814 20.763 0.730) 20.792 4.385 ( 12.209 -0.464 -2.432) 12.457 5.509 ( 1.001 6.801 -0.652) 6.905 6.142 ( 2.707 1.246 2.884) 4.147 6.447 ( 0.338 -3.517 1.168) 3.721 8.535 ( -2.264 -0.693 -0.102) 2.370 8.863 ( 0.989 1.222 -0.471) 1.641 9.295 ( -8.599 -9.614 0.159) 12.899 ======================= Grid point 394 (131/580) ======================= q-point: ( 0.50 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( -2.581 17.292 0.419) 17.489 3.431 ( 15.393 14.025 -2.132) 20.933 4.516 ( 7.809 -4.927 -2.011) 9.450 5.582 ( -0.438 7.406 -0.601) 7.443 6.167 ( -0.353 -1.657 2.823) 3.293 6.456 ( 3.139 -2.255 0.908) 3.970 8.491 ( -1.900 -0.795 -0.120) 2.063 8.887 ( 0.340 1.500 -0.378) 1.584 9.083 ( -6.210 -7.489 0.171) 9.730 ======================= Grid point 395 (132/580) ======================= q-point: ( 0.56 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( -5.160 14.151 0.583) 15.074 3.759 ( 10.026 8.272 -0.506) 13.008 4.566 ( 5.268 -5.813 -1.227) 7.940 5.635 ( -2.003 7.719 -0.487) 7.990 6.128 ( -1.860 -2.975 2.233) 4.159 6.492 ( 3.368 -3.026 0.140) 4.530 8.458 ( -1.047 -0.495 -0.096) 1.162 8.902 ( -0.246 1.625 -0.244) 1.661 8.946 ( -2.677 -4.974 0.078) 5.649 ======================= Grid point 396 (133/580) ======================= q-point: (-0.39 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( -7.061 12.227 0.679) 14.135 3.909 ( 1.117 1.892 1.656) 2.751 4.586 ( 4.317 -5.924 -0.503) 7.348 5.658 ( -3.938 7.356 -0.252) 8.348 6.081 ( -0.428 -2.366 0.994) 2.601 6.500 ( 1.753 -4.318 -0.659) 4.707 8.447 ( 0.013 0.067 -0.058) 0.090 8.897 ( 1.291 -2.417 -0.110) 2.743 8.910 ( -0.608 1.417 -0.013) 1.542 ======================= Grid point 397 (134/580) ======================= q-point: (-0.33 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.484 ( -9.807 11.494 0.808) 15.131 3.836 ( -9.346 -3.648 3.175) 10.523 4.593 ( 3.850 -7.018 0.056) 8.005 5.641 ( -5.694 6.048 -0.114) 8.308 6.080 ( 1.801 -1.060 -0.132) 2.094 6.465 ( -0.090 -4.736 -1.146) 4.873 8.459 ( 0.996 0.720 -0.037) 1.229 8.908 ( -0.892 1.080 -0.081) 1.404 8.943 ( 5.499 -0.248 0.056) 5.505 ======================= Grid point 398 (135/580) ======================= q-point: (-0.28 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.393 ( -14.001 9.840 0.944) 17.138 3.557 ( -18.092 -5.934 3.483) 19.356 4.564 ( 1.340 -9.107 0.183) 9.207 5.588 ( -6.398 4.482 -0.249) 7.816 6.100 ( 1.121 -1.013 -0.397) 1.562 6.413 ( -0.117 -3.621 -1.161) 3.804 8.492 ( 1.626 1.301 -0.040) 2.082 8.897 ( -1.211 0.448 0.071) 1.293 9.080 ( 9.662 1.536 0.046) 9.783 ======================= Grid point 399 (136/580) ======================= q-point: (-0.22 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( -23.623 -6.985 2.479) 24.759 3.244 ( -19.248 8.163 1.445) 20.957 4.434 ( -5.791 -10.926 -0.213) 12.368 5.513 ( -6.545 2.949 -0.417) 7.191 6.079 ( -2.114 -1.800 -0.069) 2.777 6.406 ( 3.049 -1.413 -0.811) 3.457 8.536 ( 1.674 1.647 -0.054) 2.349 8.876 ( -1.383 -0.319 0.100) 1.423 9.294 ( 12.800 2.535 0.117) 13.049 ======================= Grid point 400 (137/580) ======================= q-point: (-0.17 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -27.851 -7.140 1.687) 28.801 2.962 ( -23.075 6.014 1.138) 23.873 4.140 ( -16.254 -10.501 -0.662) 19.363 5.424 ( -6.401 1.575 -0.493) 6.610 5.990 ( -6.071 -2.217 0.362) 6.473 6.491 ( 7.525 0.383 -0.392) 7.545 8.576 ( 1.087 1.594 -0.054) 1.930 8.845 ( -1.459 -0.890 0.050) 1.709 9.552 ( 14.265 2.480 0.136) 14.479 ======================= Grid point 401 (138/580) ======================= q-point: (-0.11 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -29.486 -4.770 0.477) 29.873 2.582 ( -26.537 2.124 0.904) 26.637 3.684 ( -26.688 -6.720 -0.681) 27.530 5.327 ( -5.930 0.597 -0.456) 5.978 5.837 ( -9.521 -1.701 0.604) 9.691 6.652 ( 10.272 0.875 -0.145) 10.311 8.599 ( 0.098 0.986 -0.028) 0.991 8.812 ( -1.422 -0.844 -0.079) 1.656 9.815 ( 13.963 1.508 0.087) 14.044 ======================= Grid point 402 (139/580) ======================= q-point: (-0.06 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -28.925 -1.005 -0.563) 28.948 2.117 ( -28.877 -0.678 0.543) 28.891 3.119 ( -35.393 0.411 -0.168) 35.396 5.236 ( -5.084 0.265 -0.315) 5.101 5.646 ( -11.730 -0.133 0.589) 11.745 6.838 ( 10.599 0.123 -0.111) 10.600 8.598 ( -0.708 0.022 0.008) 0.708 8.782 ( -1.457 -0.061 -0.299) 1.489 10.047 ( 12.308 -0.057 0.058) 12.308 ======================= Grid point 407 (140/580) ======================= q-point: ( 0.22 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.000 27.575 0.573) 27.581 1.826 ( 0.000 25.447 2.831) 25.604 2.811 ( -0.000 41.158 -0.446) 41.161 5.157 ( -0.000 3.629 -1.150) 3.806 5.567 ( 0.000 12.900 1.298) 12.966 6.925 ( -0.000 -9.764 -0.596) 9.782 8.576 ( 0.000 0.083 0.018) 0.085 8.772 ( -0.000 2.529 -0.837) 2.663 10.159 ( 0.000 -11.152 0.307) 11.156 ======================= Grid point 408 (141/580) ======================= q-point: ( 0.28 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 4.597 28.924 -0.954) 29.303 2.171 ( 10.530 23.396 2.220) 25.752 3.241 ( 5.473 35.297 -0.906) 35.730 5.212 ( 2.456 3.992 -1.076) 4.809 5.715 ( 2.228 11.958 1.654) 12.275 6.803 ( -2.567 -9.920 -0.370) 10.254 8.585 ( 1.043 -0.227 0.010) 1.067 8.790 ( -0.352 2.188 -0.659) 2.312 10.017 ( -3.175 -12.269 0.158) 12.674 ======================= Grid point 409 (142/580) ======================= q-point: ( 0.33 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 8.702 28.381 -2.325) 29.776 2.616 ( 13.895 22.078 1.549) 26.132 3.653 ( 7.640 25.519 -1.527) 26.682 5.308 ( 3.895 4.702 -0.948) 6.179 5.876 ( 3.410 9.529 2.115) 10.339 6.651 ( -3.899 -9.056 0.076) 9.859 8.599 ( 0.807 -0.643 -0.013) 1.032 8.803 ( -0.063 1.831 -0.556) 1.914 9.817 ( -5.773 -12.786 0.081) 14.029 ======================= Grid point 410 (143/580) ======================= q-point: ( 0.39 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 11.912 26.072 -3.084) 28.830 3.054 ( 11.080 22.028 1.108) 24.683 3.977 ( 8.407 13.364 -2.169) 15.937 5.425 ( 3.958 5.803 -0.869) 7.078 6.020 ( 3.518 6.139 2.606) 7.540 6.508 ( -3.344 -7.000 0.623) 7.782 8.592 ( -0.598 -1.245 -0.090) 1.384 8.825 ( 0.815 1.811 -0.467) 2.041 9.579 ( -7.404 -12.499 0.121) 14.528 ======================= Grid point 411 (144/580) ======================= q-point: ( 0.44 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 13.628 22.402 -3.146) 26.410 3.409 ( 4.452 22.002 0.751) 22.460 4.189 ( 8.871 1.742 -2.365) 9.345 5.545 ( 2.907 7.033 -0.828) 7.655 6.122 ( 2.433 2.374 2.953) 4.503 6.416 ( -1.055 -4.445 0.988) 4.674 8.556 ( -1.636 -1.809 -0.200) 2.447 8.861 ( 1.121 2.091 -0.349) 2.399 9.332 ( -7.688 -11.281 0.218) 13.653 ======================= Grid point 412 (145/580) ======================= q-point: ( 0.50 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 13.326 17.723 -2.569) 22.322 3.629 ( -2.432 18.923 0.255) 19.081 4.318 ( 8.920 -3.881 -1.676) 9.871 5.653 ( 1.238 7.997 -0.760) 8.128 6.161 ( 0.315 -1.080 2.984) 3.189 6.389 ( 1.652 -3.091 0.880) 3.614 8.507 ( -1.688 -2.063 -0.265) 2.678 8.898 ( 0.662 2.458 -0.225) 2.556 9.109 ( -6.419 -9.247 0.258) 11.260 ======================= Grid point 413 (146/580) ======================= q-point: ( 0.56 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.672 ( 8.001 12.063 -1.494) 14.552 3.718 ( -2.754 12.951 -0.041) 13.241 4.416 ( 6.540 -2.529 -0.572) 7.036 5.737 ( -0.556 8.359 -0.585) 8.398 6.135 ( -1.608 -3.046 2.613) 4.324 6.401 ( 3.057 -3.819 0.265) 4.899 8.463 ( -0.971 -1.912 -0.262) 2.160 8.927 ( -0.232 2.421 -0.096) 2.433 8.943 ( -3.673 -6.497 0.176) 7.466 ======================= Grid point 414 (147/580) ======================= q-point: ( 0.61 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( -4.649 8.850 -0.256) 10.000 3.903 ( 4.364 6.352 0.336) 7.714 4.479 ( 2.833 -1.024 0.162) 3.017 5.792 ( -2.407 8.019 -0.189) 8.375 6.076 ( -1.824 -3.117 1.608) 3.953 6.409 ( 2.957 -5.193 -0.457) 5.993 8.438 ( 0.143 -1.408 -0.221) 1.432 8.854 ( -0.266 -4.305 0.052) 4.314 8.945 ( -0.926 2.632 0.006) 2.790 ======================= Grid point 415 (148/580) ======================= q-point: (-0.33 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( -5.087 9.125 0.018) 10.447 3.944 ( -4.201 0.679 1.661) 4.568 4.489 ( 0.562 -3.007 0.459) 3.093 5.804 ( -5.157 6.912 0.327) 8.630 6.041 ( 0.693 -1.960 0.251) 2.094 6.395 ( 1.914 -5.562 -0.879) 5.947 8.440 ( 1.294 -0.680 -0.180) 1.473 8.851 ( 3.644 -2.070 -0.045) 4.192 8.948 ( -1.555 2.160 0.101) 2.664 ======================= Grid point 416 (149/580) ======================= q-point: (-0.28 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( -10.367 7.584 0.549) 12.857 3.800 ( -11.963 0.763 1.808) 12.123 4.447 ( 0.649 -7.586 0.331) 7.621 5.756 ( -7.263 5.189 0.208) 8.929 6.057 ( 2.338 -1.091 -0.135) 2.583 6.365 ( 0.921 -4.377 -0.855) 4.554 8.466 ( 2.184 0.085 -0.155) 2.191 8.928 ( 2.051 0.669 -0.266) 2.174 8.943 ( 3.648 0.429 0.369) 3.692 ======================= Grid point 417 (150/580) ======================= q-point: (-0.22 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( -20.459 -3.934 1.368) 20.879 3.650 ( -16.205 10.788 0.672) 19.479 4.369 ( 0.192 -10.022 -0.241) 10.027 5.668 ( -7.829 3.337 -0.149) 8.512 6.077 ( 0.700 -1.084 0.260) 1.317 6.348 ( 1.555 -2.232 -0.495) 2.765 8.511 ( 2.555 0.639 -0.135) 2.637 8.907 ( -2.180 0.461 0.047) 2.228 9.104 ( 11.302 0.796 0.095) 11.330 ======================= Grid point 418 (151/580) ======================= q-point: (-0.17 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -25.586 -3.492 0.359) 25.825 3.411 ( -21.840 5.814 0.557) 22.608 4.242 ( -5.978 -6.499 -0.777) 8.864 5.559 ( -7.638 1.506 -0.312) 7.791 6.052 ( -2.770 -0.905 0.733) 3.005 6.385 ( 4.598 -0.391 -0.051) 4.615 8.559 ( 2.235 0.697 -0.097) 2.343 8.871 ( -2.163 -0.176 -0.030) 2.170 9.328 ( 13.787 0.851 0.104) 13.813 ======================= Grid point 419 (152/580) ======================= q-point: (-0.11 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -28.551 -0.913 -0.967) 28.582 3.036 ( -25.015 -0.513 0.266) 25.021 4.020 ( -16.457 0.224 -0.804) 16.478 5.441 ( -6.956 0.183 -0.286) 6.964 5.969 ( -6.553 -0.022 0.960) 6.623 6.496 ( 8.246 0.212 0.241) 8.253 8.594 ( 1.247 0.036 -0.031) 1.248 8.834 ( -1.837 -0.067 -0.180) 1.847 9.577 ( 14.639 -0.056 0.046) 14.639 ======================= Grid point 420 (153/580) ======================= q-point: (-0.06 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -29.477 2.934 -2.210) 29.705 2.574 ( -26.571 -3.107 -0.030) 26.752 3.687 ( -26.485 7.187 -0.397) 27.445 5.330 ( -5.893 -0.176 -0.160) 5.898 5.840 ( -9.641 1.583 0.950) 9.816 6.656 ( 10.158 -0.541 0.262) 10.176 8.600 ( 0.096 -0.954 0.023) 0.959 8.809 ( -1.435 0.738 -0.357) 1.652 9.814 ( 13.962 -1.627 -0.033) 14.057 ======================= Grid point 426 (154/580) ======================= q-point: ( 0.28 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -0.000 30.631 -1.521) 30.669 2.300 ( 0.000 21.329 2.262) 21.448 3.546 ( -0.000 33.912 -1.274) 33.936 5.225 ( -0.000 3.925 -1.096) 4.075 5.819 ( 0.000 11.557 1.879) 11.709 6.727 ( -0.000 -9.798 -0.202) 9.800 8.570 ( 0.000 -0.676 0.016) 0.676 8.813 ( -0.000 2.029 -0.600) 2.116 9.918 ( 0.000 -13.363 0.109) 13.364 ======================= Grid point 427 (155/580) ======================= q-point: ( 0.33 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 3.179 30.595 -2.341) 30.848 2.598 ( 10.465 18.939 1.785) 21.712 3.857 ( 0.607 27.776 -1.735) 27.837 5.287 ( 2.931 4.103 -0.986) 5.138 5.941 ( 1.096 9.697 2.193) 10.003 6.616 ( -2.115 -8.661 0.187) 8.918 8.571 ( 1.018 -1.161 0.000) 1.544 8.825 ( -0.423 1.752 -0.554) 1.886 9.760 ( -2.850 -13.816 0.075) 14.108 ======================= Grid point 428 (156/580) ======================= q-point: ( 0.39 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 5.921 28.757 -2.938) 29.507 3.007 ( 15.546 16.831 1.222) 22.945 4.079 ( -0.963 18.697 -2.195) 18.850 5.396 ( 4.953 4.761 -0.880) 6.926 6.051 ( 1.380 6.766 2.573) 7.369 6.497 ( -2.899 -6.460 0.668) 7.113 8.574 ( 0.708 -1.824 -0.067) 1.958 8.836 ( 0.019 1.800 -0.485) 1.864 9.557 ( -5.014 -13.464 0.118) 14.368 ======================= Grid point 429 (157/580) ======================= q-point: ( 0.44 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 8.147 25.306 -3.098) 26.765 3.434 ( 14.811 15.564 0.731) 21.498 4.176 ( -2.370 8.597 -2.294) 9.208 5.536 ( 5.370 5.876 -0.853) 8.006 6.129 ( 0.964 3.172 2.907) 4.409 6.404 ( -2.150 -3.906 0.987) 4.566 8.553 ( -0.615 -2.464 -0.197) 2.547 8.863 ( 1.002 2.157 -0.336) 2.402 9.335 ( -6.142 -12.219 0.216) 13.677 ======================= Grid point 430 (158/580) ======================= q-point: ( 0.50 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( 9.318 20.660 -2.735) 22.828 3.777 ( 6.853 13.292 -0.233) 14.957 4.193 ( 1.133 2.062 -1.266) 2.672 5.680 ( 4.196 7.031 -0.868) 8.234 6.158 ( -0.094 -0.472 3.034) 3.072 6.353 ( -0.599 -2.600 0.912) 2.820 8.508 ( -1.416 -2.776 -0.300) 3.131 8.906 ( 1.304 2.559 -0.162) 2.877 9.120 ( -5.975 -10.187 0.281) 11.814 ======================= Grid point 431 (159/580) ======================= q-point: ( 0.56 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( 8.667 15.191 -1.841) 17.586 3.870 ( -3.220 3.216 -1.692) 4.855 4.318 ( 6.907 7.269 0.711) 10.052 5.803 ( 1.979 7.423 -0.770) 7.721 6.137 ( -1.227 -2.762 2.817) 4.132 6.329 ( 0.816 -3.470 0.413) 3.588 8.456 ( -1.188 -2.688 -0.318) 2.956 8.940 ( -3.634 -6.349 0.291) 7.321 8.953 ( -0.081 1.461 -0.072) 1.465 ======================= Grid point 432 (160/580) ======================= q-point: ( 0.61 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( -1.566 -0.727 -0.968) 1.979 3.894 ( 5.246 8.991 -1.154) 10.473 4.490 ( 1.990 9.462 1.167) 9.739 5.883 ( -0.174 6.039 -0.262) 6.048 6.089 ( -1.980 -2.313 1.937) 3.609 6.310 ( 1.924 -5.201 -0.257) 5.551 8.418 ( -0.214 -2.230 -0.277) 2.257 8.824 ( -1.823 -5.257 0.143) 5.566 8.984 ( -0.255 2.823 0.050) 2.835 ======================= Grid point 433 (161/580) ======================= q-point: (-0.33 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( 1.460 -0.443 -0.762) 1.706 4.004 ( -0.378 3.835 0.178) 3.858 4.556 ( -4.419 7.154 1.188) 8.492 5.918 ( -1.097 3.567 0.764) 3.809 6.042 ( -2.547 -0.081 0.280) 2.564 6.294 ( 2.732 -5.677 -0.647) 6.333 8.406 ( 1.064 -1.498 -0.226) 1.852 8.781 ( 1.536 -3.009 0.041) 3.379 8.997 ( -1.307 2.357 0.097) 2.697 ======================= Grid point 434 (162/580) ======================= q-point: (-0.28 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.843 ( 2.026 2.875 -0.507) 3.553 3.952 ( -7.184 -0.415 0.593) 7.220 4.487 ( -8.896 1.607 0.958) 9.091 5.913 ( -4.601 3.350 1.046) 5.787 6.014 ( 0.410 -0.413 -0.497) 0.766 6.290 ( 2.648 -4.112 -0.552) 4.922 8.424 ( 2.235 -0.672 -0.191) 2.341 8.818 ( 5.221 -1.194 0.019) 5.355 8.987 ( -2.139 1.520 0.101) 2.626 ======================= Grid point 435 (163/580) ======================= q-point: (-0.22 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( -15.758 -1.324 0.295) 15.816 3.928 ( -2.484 6.039 -0.553) 6.553 4.318 ( -7.386 -4.875 0.382) 8.858 5.831 ( -7.782 1.999 0.029) 8.035 6.041 ( 2.390 -0.456 0.535) 2.492 6.300 ( 1.956 -1.641 -0.147) 2.557 8.465 ( 2.960 -0.036 -0.164) 2.964 8.931 ( 7.719 -0.004 -0.003) 7.719 8.958 ( -1.480 0.472 0.119) 1.557 ======================= Grid point 436 (164/580) ======================= q-point: (-0.17 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( -21.703 -0.725 -0.730) 21.727 3.787 ( -17.596 -0.310 -0.185) 17.600 4.238 ( 0.573 0.004 -0.711) 0.913 5.702 ( -8.201 0.013 -0.261) 8.205 6.069 ( 0.484 0.076 1.201) 1.297 6.328 ( 2.274 0.272 0.323) 2.313 8.517 ( 2.988 0.056 -0.122) 2.991 8.912 ( -2.629 -0.049 -0.080) 2.630 9.112 ( 11.870 -0.028 0.118) 11.871 ======================= Grid point 437 (165/580) ======================= q-point: (-0.11 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -25.737 1.909 -2.050) 25.889 3.403 ( -21.861 -6.605 -0.281) 22.839 4.239 ( -5.877 6.675 -1.104) 8.962 5.560 ( -7.557 -1.264 -0.222) 7.665 6.059 ( -2.864 0.945 1.496) 3.367 6.392 ( 4.555 0.877 0.707) 4.692 8.560 ( 2.238 -0.625 -0.053) 2.325 8.869 ( -2.188 0.074 -0.240) 2.203 9.328 ( 13.755 -0.930 0.068) 13.786 ======================= Grid point 438 (166/580) ======================= q-point: (-0.06 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -28.011 5.646 -3.320) 28.767 2.949 ( -23.068 -6.652 -0.347) 24.011 4.137 ( -15.948 10.602 -1.025) 19.178 5.427 ( -6.321 -1.271 -0.107) 6.449 6.000 ( -6.275 2.215 1.510) 6.824 6.502 ( 7.338 0.021 0.824) 7.384 8.577 ( 1.089 -1.594 0.006) 1.931 8.841 ( -1.487 0.837 -0.404) 1.753 9.551 ( 14.217 -2.569 -0.036) 14.447 ======================= Grid point 445 (167/580) ======================= q-point: ( 0.33 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -0.000 31.023 -2.810) 31.150 2.685 ( 0.000 16.693 1.714) 16.780 4.112 ( -0.000 24.460 -2.031) 24.544 5.295 ( -0.000 3.701 -0.896) 3.808 6.029 ( 0.000 8.384 2.339) 8.704 6.556 ( 0.000 -7.190 0.514) 7.208 8.549 ( 0.000 -1.451 0.015) 1.451 8.843 ( -0.000 1.308 -0.572) 1.427 9.646 ( 0.000 -14.161 0.056) 14.161 ======================= Grid point 446 (168/580) ======================= q-point: ( 0.39 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 1.852 29.644 -3.158) 29.869 2.931 ( 10.141 14.101 1.242) 17.414 4.297 ( -2.634 18.008 -2.306) 18.345 5.359 ( 3.558 3.740 -0.768) 5.219 6.110 ( 0.207 5.989 2.548) 6.512 6.483 ( -1.680 -4.773 0.921) 5.143 8.541 ( 0.768 -1.850 -0.012) 2.004 8.851 ( -0.104 1.129 -0.551) 1.261 9.487 ( -2.442 -13.675 0.080) 13.891 ======================= Grid point 447 (169/580) ======================= q-point: ( 0.44 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 3.396 26.508 -3.263) 26.923 3.286 ( 15.889 11.161 0.698) 19.430 4.355 ( -6.163 10.831 -2.255) 12.664 5.482 ( 6.211 4.375 -0.713) 7.631 6.162 ( -0.198 2.873 2.751) 3.982 6.417 ( -2.389 -2.165 1.164) 3.428 8.531 ( 0.267 -2.334 -0.103) 2.352 8.865 ( 0.702 1.380 -0.427) 1.606 9.302 ( -4.159 -12.308 0.155) 12.992 ======================= Grid point 448 (170/580) ======================= q-point: ( 0.50 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( 4.842 21.870 -2.993) 22.599 3.657 ( 15.555 6.984 -0.034) 17.051 4.311 ( -7.078 6.817 -1.462) 9.935 5.642 ( 6.936 5.383 -0.786) 8.815 6.172 ( -0.975 -0.457 2.874) 3.070 6.366 ( -2.438 -0.857 1.049) 2.789 8.500 ( -0.928 -2.638 -0.212) 2.804 8.901 ( 1.743 1.806 -0.219) 2.520 9.113 ( -4.903 -10.183 0.218) 11.304 ======================= Grid point 449 (171/580) ======================= q-point: ( 0.56 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 5.662 16.037 -2.221) 17.151 3.864 ( 3.726 -1.501 -1.545) 4.304 4.335 ( 2.394 10.849 0.451) 11.119 5.805 ( 5.400 6.042 -0.923) 8.156 6.141 ( -1.518 -2.863 2.848) 4.314 6.317 ( -2.237 -1.719 0.595) 2.883 8.452 ( -1.467 -2.569 -0.248) 2.969 8.939 ( -2.818 -5.473 0.314) 6.164 8.959 ( 0.189 -0.075 -0.145) 0.250 ======================= Grid point 450 (172/580) ======================= q-point: ( 0.61 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( -1.431 -4.375 -1.087) 4.729 3.904 ( 4.219 10.241 -1.645) 11.198 4.544 ( 5.632 11.733 1.016) 13.055 5.920 ( 1.681 4.444 -0.692) 4.801 6.097 ( -0.743 -2.327 2.241) 3.315 6.259 ( -1.403 -3.618 0.013) 3.881 8.406 ( -0.999 -2.132 -0.214) 2.364 8.815 ( -3.038 -5.206 0.170) 6.030 9.003 ( 1.119 2.172 0.019) 2.443 ======================= Grid point 451 (173/580) ======================= q-point: ( 0.67 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.738 ( 0.788 -3.727 -0.774) 3.887 4.038 ( 1.796 5.546 -0.481) 5.849 4.699 ( -0.605 8.964 0.929) 9.032 5.941 ( -0.653 -0.052 0.466) 0.803 6.091 ( -0.763 1.534 0.535) 1.795 6.210 ( 0.595 -4.236 -0.366) 4.293 8.380 ( 0.151 -1.412 -0.162) 1.429 8.743 ( -0.578 -2.931 0.075) 2.989 9.031 ( -0.139 1.725 0.060) 1.731 ======================= Grid point 452 (174/580) ======================= q-point: (-0.28 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( 5.024 -1.189 -0.604) 5.198 4.057 ( -3.685 1.356 0.062) 3.927 4.688 ( -8.437 3.899 0.647) 9.317 5.935 ( 0.752 -0.772 0.655) 1.261 6.075 ( -3.588 1.788 -0.120) 4.011 6.204 ( 2.874 -2.511 -0.266) 3.825 8.384 ( 1.490 -0.578 -0.130) 1.604 8.740 ( 2.527 -1.103 0.046) 2.758 9.031 ( -1.421 0.896 0.051) 1.681 ======================= Grid point 453 (175/580) ======================= q-point: (-0.22 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( 5.826 0.153 -0.911) 5.899 3.945 ( -8.890 -0.220 -0.089) 8.893 4.511 ( -13.424 -0.500 0.254) 13.436 5.937 ( -2.049 -0.724 -0.093) 2.175 6.022 ( -1.820 0.562 0.649) 2.013 6.248 ( 3.179 0.280 0.157) 3.196 8.416 ( 2.546 0.074 -0.118) 2.550 8.807 ( 5.805 0.001 0.090) 5.806 9.002 ( -2.332 -0.052 0.001) 2.333 ======================= Grid point 454 (176/580) ======================= q-point: (-0.17 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.705 ( -16.028 0.340 -1.280) 16.083 3.925 ( -2.812 -6.110 -0.896) 6.786 4.312 ( -7.213 4.356 -0.302) 8.431 5.826 ( -7.453 -2.224 -0.481) 7.793 6.050 ( 2.277 0.630 1.521) 2.810 6.307 ( 1.983 2.171 0.622) 3.006 8.465 ( 2.948 0.158 -0.106) 2.955 8.932 ( 8.006 0.116 0.162) 8.009 8.956 ( -1.790 -0.687 -0.116) 1.921 ======================= Grid point 455 (177/580) ======================= q-point: (-0.11 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( -20.962 3.073 -2.425) 21.324 3.637 ( -16.245 -11.592 -0.805) 19.973 4.360 ( 0.206 9.991 -1.182) 10.063 5.667 ( -7.601 -3.179 -0.289) 8.244 6.091 ( 0.684 1.051 1.896) 2.274 6.362 ( 1.567 2.690 1.034) 3.281 8.511 ( 2.546 -0.580 -0.072) 2.612 8.905 ( -2.244 -0.506 -0.236) 2.312 9.104 ( 11.274 -0.842 0.122) 11.306 ======================= Grid point 456 (178/580) ======================= q-point: (-0.06 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( -24.425 6.723 -3.585) 25.586 3.223 ( -18.831 -9.415 -0.705) 21.066 4.421 ( -5.653 10.894 -1.605) 12.377 5.516 ( -6.407 -2.710 -0.127) 6.958 6.098 ( -2.252 1.782 2.064) 3.536 6.425 ( 2.962 1.801 1.305) 3.704 8.536 ( 1.671 -1.670 -0.033) 2.363 8.871 ( -1.442 0.321 -0.403) 1.531 9.293 ( 12.719 -2.583 0.040) 12.979 ======================= Grid point 464 (179/580) ======================= q-point: ( 0.39 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 0.000 11.954 1.145) 12.009 3.053 ( -0.000 28.771 -3.514) 28.985 4.473 ( -0.000 13.659 -2.413) 13.870 5.358 ( -0.000 3.069 -0.606) 3.128 6.167 ( 0.000 4.078 2.558) 4.814 6.466 ( 0.000 -2.312 1.234) 2.621 8.516 ( 0.000 -1.868 0.008) 1.869 8.858 ( -0.000 0.616 -0.574) 0.842 9.376 ( 0.000 -13.019 0.059) 13.019 ======================= Grid point 465 (180/580) ======================= q-point: ( 0.44 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 9.433 9.337 0.748) 13.294 3.319 ( 0.618 25.985 -3.560) 26.235 4.539 ( -4.280 8.390 -2.254) 9.684 5.423 ( 4.333 3.042 -0.494) 5.317 6.199 ( -0.452 1.474 2.557) 2.986 6.445 ( -1.584 0.091 1.380) 2.103 8.502 ( 0.468 -1.977 -0.025) 2.032 8.864 ( 0.378 0.549 -0.492) 0.829 9.238 ( -2.019 -11.487 0.080) 11.664 ======================= Grid point 466 (181/580) ======================= q-point: ( 0.50 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 14.004 6.209 0.026) 15.318 3.560 ( 1.619 21.233 -3.001) 21.505 4.493 ( -7.268 4.825 -1.664) 8.881 5.558 ( 7.569 3.683 -0.537) 8.435 6.193 ( -1.277 -1.193 2.521) 3.068 6.418 ( -2.931 1.152 1.196) 3.369 8.486 ( -0.188 -2.058 -0.091) 2.068 8.885 ( 1.515 0.813 -0.298) 1.745 9.089 ( -3.385 -9.232 0.111) 9.833 ======================= Grid point 467 (182/580) ======================= q-point: ( 0.56 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.704 ( 8.306 3.961 -1.146) 9.273 3.779 ( 4.716 12.824 -1.748) 13.775 4.428 ( -3.586 5.355 -0.610) 6.473 5.735 ( 8.323 4.451 -0.756) 9.469 6.149 ( -2.003 -3.173 2.435) 4.473 6.370 ( -4.137 0.392 0.748) 4.222 8.453 ( -1.272 -1.922 -0.121) 2.308 8.924 ( 1.072 -0.917 0.109) 1.415 8.953 ( -2.499 -4.610 -0.098) 5.245 ======================= Grid point 468 (183/580) ======================= q-point: ( 0.61 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( -0.023 -2.467 -0.622) 2.544 3.938 ( 2.658 9.280 -1.616) 9.788 4.525 ( 6.839 7.118 0.245) 9.874 5.902 ( 5.656 4.463 -1.140) 7.294 6.087 ( -1.354 -3.844 2.311) 4.685 6.290 ( -4.721 -1.173 0.244) 4.871 8.410 ( -1.610 -1.475 -0.085) 2.185 8.826 ( -3.606 -4.167 0.125) 5.512 8.988 ( 2.446 1.217 -0.051) 2.733 ======================= Grid point 469 (184/580) ======================= q-point: ( 0.67 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( -2.185 -2.085 -0.203) 3.027 4.048 ( 2.498 4.363 -0.669) 5.072 4.717 ( 6.687 4.617 0.257) 8.131 5.960 ( -1.420 0.413 -0.401) 1.532 6.084 ( 2.709 -0.268 0.970) 2.890 6.202 ( -3.310 -1.695 -0.105) 3.720 8.376 ( -0.977 -0.758 -0.030) 1.237 8.745 ( -2.330 -1.875 0.036) 2.991 9.033 ( 1.427 0.792 0.001) 1.632 ======================= Grid point 470 (185/580) ======================= q-point: (-0.28 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( 1.227 0.358 0.004) 1.279 4.095 ( 0.189 0.240 -0.016) 0.306 4.793 ( -0.956 -0.428 0.027) 1.048 5.930 ( -0.984 -0.373 -0.127) 1.060 6.113 ( 0.120 -0.016 0.326) 0.348 6.166 ( 0.046 0.098 -0.213) 0.238 8.366 ( 0.238 0.073 0.000) 0.249 8.714 ( -0.130 -0.035 -0.000) 0.135 9.048 ( -0.069 -0.029 -0.000) 0.075 ======================= Grid point 471 (186/580) ======================= q-point: (-0.22 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( 4.805 1.755 -0.178) 5.118 4.056 ( -4.031 -1.396 -0.080) 4.266 4.680 ( -8.433 -4.763 -0.245) 9.689 5.926 ( 0.616 -0.126 -0.321) 0.706 6.079 ( -3.228 -1.549 0.341) 3.596 6.209 ( 3.014 2.954 0.247) 4.227 8.385 ( 1.470 0.723 -0.006) 1.638 8.740 ( 2.564 1.071 0.038) 2.779 9.030 ( -1.432 -0.968 -0.028) 1.728 ======================= Grid point 472 (187/580) ======================= q-point: (-0.17 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.841 ( 1.313 -2.450 -0.645) 2.854 3.940 ( -7.673 -0.341 -0.917) 7.735 4.474 ( -8.761 -1.991 -0.419) 8.994 5.897 ( -4.070 -3.234 -0.745) 5.251 6.030 ( 0.424 -0.062 1.271) 1.341 6.301 ( 2.787 4.452 0.652) 5.293 8.425 ( 2.198 0.785 -0.034) 2.334 8.819 ( 5.273 1.186 0.113) 5.406 8.985 ( -2.180 -1.577 -0.086) 2.692 ======================= Grid point 473 (188/580) ======================= q-point: (-0.11 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( -11.188 -5.682 -0.375) 12.554 3.760 ( -12.371 -3.656 -2.665) 13.173 4.436 ( 0.586 7.734 -0.832) 7.801 5.750 ( -6.917 -4.931 -0.414) 8.505 6.074 ( 2.605 0.691 1.734) 3.204 6.382 ( 1.099 4.630 1.023) 4.867 8.467 ( 2.145 -0.041 -0.057) 2.146 8.931 ( -0.909 -1.080 -0.028) 1.412 8.939 ( 6.547 -0.037 -0.012) 6.547 ======================= Grid point 474 (189/580) ======================= q-point: (-0.06 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( -14.105 -10.357 0.109) 17.500 3.490 ( -18.810 5.548 -4.123) 20.040 4.548 ( 1.046 9.247 -1.556) 9.435 5.589 ( -6.202 -4.233 -0.184) 7.511 6.122 ( 1.361 0.762 2.170) 2.672 6.436 ( 0.034 3.831 1.376) 4.071 8.492 ( 1.601 -1.333 -0.055) 2.084 8.893 ( -1.311 -0.391 -0.335) 1.409 9.081 ( 9.615 -1.562 0.110) 9.742 ======================= Grid point 483 (190/580) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 0.000 7.494 0.533) 7.513 3.551 ( -0.000 23.499 -3.595) 23.772 4.637 ( -0.000 5.020 -2.015) 5.410 5.407 ( -0.000 2.170 -0.280) 2.188 6.216 ( 0.000 -0.407 2.330) 2.365 6.474 ( 0.000 1.864 1.424) 2.346 8.480 ( -0.000 -1.711 -0.013) 1.711 8.862 ( -0.000 0.147 -0.440) 0.464 9.150 ( 0.000 -9.807 0.037) 9.807 ======================= Grid point 484 (191/580) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 8.585 5.127 0.152) 10.000 3.747 ( -0.550 18.921 -3.184) 19.195 4.627 ( -4.539 2.560 -1.483) 5.418 5.472 ( 5.235 2.117 -0.213) 5.651 6.202 ( -0.885 -2.058 2.048) 3.036 6.483 ( -1.978 2.284 1.181) 3.244 8.467 ( 0.250 -1.481 -0.035) 1.502 8.868 ( 0.797 0.143 -0.271) 0.854 9.050 ( -1.674 -7.456 0.021) 7.642 ======================= Grid point 485 (192/580) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( 12.178 2.378 -0.222) 12.411 3.885 ( -0.332 12.787 -2.286) 12.994 4.547 ( -6.068 1.819 -0.803) 6.386 5.617 ( 8.888 2.539 -0.343) 9.250 6.158 ( -1.907 -2.968 1.665) 3.901 6.454 ( -4.013 1.387 0.746) 4.311 8.453 ( -0.480 -1.170 -0.032) 1.265 8.892 ( 1.795 -0.074 -0.016) 1.797 8.952 ( -2.562 -4.426 -0.064) 5.114 ======================= Grid point 486 (193/580) ======================= q-point: ( 0.61 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( 6.664 -0.018 -0.170) 6.666 3.980 ( 1.060 6.301 -1.313) 6.523 4.501 ( 0.096 2.085 -0.272) 2.105 5.802 ( 9.505 2.469 -0.567) 9.837 6.093 ( -2.648 -2.913 1.163) 4.105 6.379 ( -5.634 0.133 0.312) 5.644 8.427 ( -1.469 -0.670 0.031) 1.615 8.854 ( -3.311 -2.332 0.068) 4.050 8.949 ( 2.818 0.410 -0.089) 2.849 ======================= Grid point 487 (194/580) ======================= q-point: (-0.33 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.752 ( -1.414 0.358 0.491) 1.539 4.035 ( 1.840 0.691 -0.496) 2.027 4.595 ( 8.395 -0.147 -0.285) 8.401 5.962 ( 5.913 1.608 -0.933) 6.199 6.029 ( -1.294 -2.206 0.777) 2.673 6.278 ( -5.860 -0.101 0.029) 5.861 8.396 ( -1.675 0.054 0.112) 1.679 8.784 ( -3.332 -0.063 -0.042) 3.332 9.000 ( 2.668 0.017 -0.029) 2.669 ======================= Grid point 488 (195/580) ======================= q-point: (-0.28 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( -2.290 2.842 0.879) 3.754 4.057 ( 2.329 -3.394 0.280) 4.125 4.710 ( 6.601 -5.222 -0.535) 8.434 5.959 ( -2.306 0.027 -0.469) 2.354 6.074 ( 3.753 -1.199 -0.195) 3.945 6.202 ( -3.224 1.720 -0.088) 3.655 8.377 ( -0.986 0.885 0.158) 1.335 8.744 ( -2.307 1.771 -0.103) 2.910 9.032 ( 1.407 -0.807 -0.031) 1.623 ======================= Grid point 489 (196/580) ======================= q-point: (-0.22 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( 0.419 4.312 0.761) 4.398 4.048 ( 1.273 -5.003 0.565) 5.193 4.685 ( -0.619 -9.555 -0.658) 9.597 5.931 ( -1.043 0.256 -0.585) 1.223 6.085 ( -0.084 -2.599 -0.203) 2.609 6.213 ( 0.889 4.412 0.005) 4.501 8.383 ( 0.115 1.537 0.146) 1.548 8.742 ( -0.507 2.863 -0.087) 2.909 9.030 ( -0.158 -1.750 -0.037) 1.757 ======================= Grid point 490 (197/580) ======================= q-point: (-0.17 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.802 ( 0.872 0.642 0.193) 1.100 4.005 ( -1.472 -3.769 0.109) 4.048 4.541 ( -4.251 -7.183 -0.513) 8.363 5.908 ( -1.408 -2.792 -0.358) 3.147 6.038 ( -1.566 -1.259 -0.101) 2.012 6.303 ( 3.045 5.694 0.281) 6.464 8.409 ( 1.001 1.589 0.083) 1.879 8.781 ( 1.634 2.971 -0.008) 3.391 8.996 ( -1.336 -2.351 -0.041) 2.704 ======================= Grid point 491 (198/580) ======================= q-point: (-0.11 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( -5.446 -9.295 -0.125) 10.774 3.918 ( -5.858 -0.937 -1.291) 6.072 4.482 ( 0.596 3.593 -0.328) 3.657 5.798 ( -5.187 -6.356 -0.285) 8.209 6.044 ( 1.671 0.980 0.667) 2.049 6.408 ( 2.281 5.502 0.540) 5.981 8.441 ( 1.220 0.703 0.002) 1.408 8.852 ( 3.735 2.049 0.069) 4.261 8.946 ( -1.632 -2.100 -0.079) 2.660 ======================= Grid point 492 (199/580) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( -9.935 -11.828 -0.070) 15.447 3.786 ( -10.742 3.777 -2.496) 11.657 4.584 ( 3.290 7.441 -0.879) 8.183 5.641 ( -5.584 -5.724 -0.192) 7.999 6.094 ( 2.634 0.418 1.513) 3.066 6.483 ( 0.341 4.650 0.872) 4.744 8.459 ( 0.941 -0.757 -0.041) 1.208 8.906 ( -1.107 -1.004 -0.201) 1.508 8.944 ( 5.616 0.258 0.101) 5.623 ======================= Grid point 502 (200/580) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -0.000 3.522 -0.116) 3.524 3.910 ( -0.000 14.284 -2.818) 14.560 4.682 ( -0.000 1.242 -0.991) 1.589 5.439 ( 0.000 1.128 0.045) 1.129 6.193 ( 0.000 -2.458 1.473) 2.865 6.526 ( 0.000 2.093 0.931) 2.291 8.452 ( -0.000 -1.010 -0.048) 1.011 8.861 ( -0.000 -0.068 -0.112) 0.131 9.002 ( -0.000 -5.088 -0.029) 5.089 ======================= Grid point 503 (201/580) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( 8.008 1.581 -0.407) 8.173 4.000 ( -1.373 7.794 -1.944) 8.149 4.650 ( -4.347 0.741 -0.382) 4.427 5.501 ( 6.036 0.871 0.088) 6.099 6.163 ( -1.149 -2.087 0.775) 2.505 6.524 ( -2.383 0.931 0.530) 2.613 8.447 ( 0.162 -0.537 -0.042) 0.563 8.868 ( 0.929 -0.075 0.081) 0.936 8.952 ( -1.413 -2.416 -0.068) 2.799 ======================= Grid point 504 (202/580) ======================= q-point: (-0.39 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.553 ( 11.391 0.037 -0.392) 11.398 4.015 ( -1.060 0.943 -0.849) 1.653 4.565 ( -5.446 0.389 0.076) 5.461 5.646 ( 9.650 0.225 0.056) 9.653 6.120 ( -2.274 -0.884 -0.070) 2.441 6.468 ( -4.479 -0.312 0.143) 4.492 8.442 ( -0.549 0.022 0.048) 0.551 8.882 ( -0.368 -0.066 0.144) 0.401 8.918 ( -0.068 0.105 -0.096) 0.158 ======================= Grid point 505 (203/580) ======================= q-point: (-0.33 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.720 ( 7.093 0.400 0.346) 7.113 3.991 ( 0.967 -4.792 0.024) 4.889 4.503 ( -0.349 -1.742 -0.020) 1.776 5.810 ( 9.798 -1.770 0.258) 9.960 6.073 ( -2.935 1.072 -1.099) 3.312 6.375 ( -5.536 -0.577 -0.109) 5.567 8.429 ( -1.439 0.743 0.185) 1.629 8.852 ( -3.317 2.192 -0.092) 3.977 8.950 ( 2.753 -0.285 0.029) 2.767 ======================= Grid point 506 (204/580) ======================= q-point: (-0.28 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.797 ( 0.229 3.079 1.494) 3.430 3.958 ( 2.578 -8.121 0.650) 8.545 4.517 ( 6.288 -7.301 -0.659) 9.658 5.921 ( 5.961 -4.518 0.870) 7.530 6.046 ( -1.587 3.040 -2.286) 4.121 6.286 ( -4.519 0.892 -0.228) 4.611 8.413 ( -1.595 1.565 0.281) 2.253 8.823 ( -3.595 4.049 -0.198) 5.419 8.989 ( 2.375 -1.167 -0.002) 2.646 ======================= Grid point 507 (205/580) ======================= q-point: (-0.22 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( -1.688 4.428 1.754) 5.053 3.930 ( 3.782 -8.896 1.247) 9.747 4.526 ( 5.516 -12.065 -0.944) 13.299 5.930 ( 0.799 -3.956 0.493) 4.066 6.059 ( 0.365 1.210 -2.096) 2.448 6.256 ( -1.125 3.416 -0.315) 3.610 8.410 ( -1.026 2.218 0.290) 2.461 8.811 ( -2.975 5.121 -0.224) 5.927 9.002 ( 1.073 -2.140 -0.012) 2.394 ======================= Grid point 508 (206/580) ======================= q-point: (-0.17 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.826 ( -1.883 0.091 0.961) 2.116 3.919 ( 3.926 -8.021 1.519) 9.059 4.475 ( 2.256 -8.968 -0.503) 9.261 5.888 ( -0.613 -5.464 0.364) 5.510 6.056 ( -1.104 1.230 -1.812) 2.452 6.310 ( 2.319 4.970 -0.308) 5.492 8.423 ( -0.286 2.280 0.210) 2.307 8.822 ( -1.710 5.210 -0.165) 5.485 8.984 ( -0.279 -2.757 0.021) 2.771 ======================= Grid point 509 (207/580) ======================= q-point: (-0.11 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.727 ( -5.182 -9.308 0.162) 10.655 3.908 ( 2.780 -6.112 0.867) 6.770 4.480 ( 2.943 2.089 0.205) 3.615 5.796 ( -2.715 -7.696 0.248) 8.165 6.052 ( -0.680 2.296 -1.130) 2.648 6.411 ( 3.412 4.899 -0.212) 5.974 8.441 ( 0.046 1.396 0.084) 1.399 8.853 ( -0.146 4.280 -0.067) 4.283 8.946 ( -0.965 -2.506 0.054) 2.686 ======================= Grid point 510 (208/580) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( -7.244 -12.547 -0.000) 14.487 3.895 ( -0.690 -1.194 -0.000) 1.379 4.590 ( 3.790 6.565 -0.000) 7.580 5.661 ( -4.093 -7.090 -0.000) 8.186 6.072 ( 0.883 1.529 -0.000) 1.766 6.506 ( 2.312 4.005 -0.000) 4.625 8.447 ( -0.065 -0.112 -0.000) 0.130 8.898 ( 1.441 2.495 -0.000) 2.881 8.911 ( -0.785 -1.359 -0.000) 1.570 ======================= Grid point 522 (209/580) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( -0.000 -0.063 -0.763) 0.765 4.054 ( -0.000 1.128 -1.229) 1.668 4.695 ( 0.000 0.512 0.251) 0.570 5.451 ( 0.000 0.032 0.351) 0.353 6.160 ( -0.000 -0.769 -0.133) 0.780 6.549 ( 0.000 -0.389 0.181) 0.429 8.442 ( -0.000 0.011 -0.085) 0.085 8.860 ( 0.000 0.065 0.261) 0.269 8.952 ( -0.000 0.022 -0.060) 0.064 ======================= Grid point 523 (210/580) ======================= q-point: (-0.39 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 8.115 -1.668 -0.930) 8.337 4.014 ( -1.413 -5.772 -0.323) 5.952 4.660 ( -4.435 0.207 0.829) 4.516 5.504 ( 6.089 -0.718 0.433) 6.147 6.147 ( -1.197 0.651 -1.017) 1.700 6.518 ( -2.345 -1.646 -0.158) 2.870 8.447 ( 0.193 0.562 -0.041) 0.596 8.870 ( 0.869 0.201 0.344) 0.956 8.952 ( -1.409 2.427 -0.072) 2.808 ======================= Grid point 524 (211/580) ======================= q-point: (-0.33 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( 12.659 -2.401 -0.657) 12.901 3.910 ( -0.451 -11.256 0.516) 11.277 4.563 ( -6.490 -1.045 1.051) 6.657 5.625 ( 9.044 -2.318 0.520) 9.351 6.127 ( -2.075 1.835 -1.836) 3.323 6.444 ( -3.888 -1.944 -0.372) 4.363 8.455 ( -0.394 1.203 0.116) 1.272 8.895 ( 1.553 0.265 0.251) 1.595 8.952 ( -2.481 4.295 -0.120) 4.962 ======================= Grid point 525 (212/580) ======================= q-point: (-0.28 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( 10.132 -2.810 0.185) 10.516 3.806 ( 3.874 -13.001 1.251) 13.623 4.439 ( -4.743 -4.683 0.616) 6.694 5.748 ( 8.553 -4.359 0.684) 9.624 6.105 ( -2.248 2.513 -2.518) 4.209 6.359 ( -3.941 -0.788 -0.464) 4.045 8.457 ( -1.188 1.961 0.287) 2.310 8.923 ( 0.296 1.719 0.007) 1.744 8.953 ( -1.902 3.814 -0.110) 4.264 ======================= Grid point 526 (213/580) ======================= q-point: (-0.22 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.703 ( 5.482 -15.269 1.539) 16.296 3.893 ( 4.970 1.305 1.813) 5.449 4.327 ( 0.929 -10.243 -0.411) 10.294 5.820 ( 5.449 -6.119 0.815) 8.234 6.090 ( -1.502 2.610 -2.894) 4.176 6.306 ( -2.039 1.399 -0.562) 2.536 8.457 ( -1.441 2.597 0.357) 2.992 8.934 ( -3.165 5.903 -0.249) 6.702 8.960 ( 0.449 -0.335 0.013) 0.560 ======================= Grid point 527 (214/580) ======================= q-point: (-0.17 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( 8.155 -14.506 1.956) 16.755 3.901 ( -3.586 -4.718 1.760) 6.182 4.310 ( 7.019 -5.477 -0.169) 8.905 5.816 ( 1.776 -7.452 0.711) 7.694 6.088 ( -0.855 2.535 -2.769) 3.850 6.319 ( 1.054 3.154 -0.737) 3.406 8.462 ( -1.233 2.679 0.295) 2.964 8.936 ( -3.773 6.761 -0.256) 7.746 8.955 ( 0.095 -1.781 0.080) 1.785 ======================= Grid point 528 (215/580) ======================= q-point: (-0.11 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( 3.041 -11.963 0.561) 12.356 3.738 ( 0.939 -13.456 2.299) 13.683 4.429 ( 6.495 3.958 0.893) 7.658 5.746 ( -0.743 -8.352 0.485) 8.399 6.091 ( -1.034 2.740 -2.296) 3.721 6.391 ( 3.399 3.448 -0.878) 4.921 8.466 ( -1.062 1.854 0.150) 2.142 8.930 ( -0.237 -2.122 0.181) 2.143 8.940 ( -3.573 6.373 -0.179) 7.309 ======================= Grid point 541 (216/580) ======================= q-point: (-0.39 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -0.000 -3.637 -1.345) 3.878 3.937 ( 0.000 -12.514 0.188) 12.515 4.704 ( 0.000 -0.336 1.531) 1.568 5.444 ( 0.000 -1.060 0.631) 1.233 6.164 ( -0.000 1.408 -1.737) 2.236 6.514 ( -0.000 -2.762 -0.443) 2.797 8.452 ( -0.000 1.034 -0.104) 1.039 8.866 ( 0.000 0.218 0.519) 0.563 9.001 ( -0.000 5.061 -0.076) 5.062 ======================= Grid point 542 (217/580) ======================= q-point: (-0.33 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( 8.831 -5.234 -1.418) 10.364 3.781 ( -0.576 -17.592 0.667) 17.614 4.658 ( -4.737 -1.823 1.948) 5.436 5.480 ( 5.297 -2.028 0.718) 5.717 6.164 ( -0.973 1.389 -2.270) 2.833 6.467 ( -1.895 -2.781 -0.592) 3.417 8.467 ( 0.329 1.503 -0.032) 1.538 8.875 ( 0.689 -0.027 0.517) 0.862 9.048 ( -1.707 7.411 -0.129) 7.606 ======================= Grid point 543 (218/580) ======================= q-point: (-0.28 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( 14.585 -6.459 -1.243) 15.999 3.599 ( 1.625 -20.243 1.312) 20.351 4.525 ( -7.766 -4.210 1.969) 9.050 5.569 ( 7.653 -3.603 0.746) 8.492 6.147 ( -1.445 0.854 -2.637) 3.126 6.402 ( -2.799 -1.455 -0.608) 3.213 8.488 ( -0.049 2.062 0.147) 2.068 8.890 ( 1.332 -0.723 0.356) 1.556 9.086 ( -3.444 9.189 -0.217) 9.816 ======================= Grid point 544 (219/580) ======================= q-point: (-0.22 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 5.059 -21.019 1.233) 21.655 3.657 ( 16.319 -7.780 0.012) 18.079 4.339 ( -7.952 -5.937 1.703) 10.069 5.656 ( 7.010 -5.346 0.754) 8.848 6.121 ( -1.149 0.369 -2.856) 3.100 6.351 ( -2.343 0.650 -0.636) 2.513 8.505 ( -0.819 2.612 0.294) 2.753 8.905 ( 1.592 -1.709 0.197) 2.344 9.109 ( -4.953 10.169 -0.283) 11.314 ======================= Grid point 545 (220/580) ======================= q-point: (-0.17 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 9.372 -20.040 2.099) 22.223 3.782 ( 7.690 -14.753 0.323) 16.640 4.218 ( 0.251 -0.448 1.527) 1.611 5.694 ( 4.154 -7.067 0.702) 8.228 6.106 ( -0.109 0.521 -2.881) 2.929 6.338 ( -0.588 2.394 -0.815) 2.597 8.513 ( -1.398 2.707 0.292) 3.060 8.909 ( 1.251 -2.422 0.177) 2.732 9.115 ( -5.981 10.217 -0.277) 11.843 ======================= Grid point 546 (221/580) ======================= q-point: (-0.11 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( 13.099 -17.064 2.776) 21.690 3.631 ( -2.223 -19.764 0.518) 19.896 4.348 ( 8.639 4.889 1.621) 10.058 5.664 ( 1.100 -8.075 0.486) 8.164 6.111 ( 0.487 1.116 -2.624) 2.893 6.371 ( 1.665 2.840 -1.121) 3.478 8.510 ( -1.742 1.956 0.163) 2.625 8.903 ( 0.674 -2.273 0.277) 2.387 9.105 ( -6.382 9.308 -0.201) 11.287 ======================= Grid point 560 (222/580) ======================= q-point: (-0.33 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -0.000 -7.590 -1.809) 7.803 3.589 ( 0.000 -22.499 0.671) 22.509 4.676 ( 0.000 -4.539 2.428) 5.147 5.417 ( 0.000 -2.094 0.873) 2.269 6.173 ( -0.000 0.086 -2.503) 2.504 6.456 ( -0.000 -2.146 -0.652) 2.243 8.479 ( -0.000 1.740 -0.094) 1.742 8.871 ( 0.000 -0.094 0.618) 0.625 9.148 ( -0.000 9.786 -0.144) 9.787 ======================= Grid point 561 (223/580) ======================= q-point: (-0.28 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 9.622 -9.517 -1.857) 13.660 3.358 ( 0.800 -25.213 0.826) 25.239 4.581 ( -4.428 -8.187 2.505) 9.639 5.435 ( 4.332 -2.964 0.919) 5.329 6.153 ( -0.545 -1.525 -2.579) 3.045 6.428 ( -1.546 -0.151 -0.575) 1.656 8.503 ( 0.560 1.991 -0.015) 2.069 8.873 ( 0.272 -0.530 0.527) 0.795 9.235 ( -2.063 11.491 -0.190) 11.676 ======================= Grid point 562 (224/580) ======================= q-point: (-0.22 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 3.962 -25.408 0.535) 25.720 3.273 ( 16.041 -11.959 -0.854) 20.026 4.396 ( -6.351 -10.726 2.349) 12.685 5.496 ( 6.195 -4.306 0.860) 7.593 6.115 ( -0.382 -2.750 -2.563) 3.778 6.402 ( -2.408 2.213 -0.518) 3.311 8.533 ( 0.403 2.302 0.130) 2.341 8.872 ( 0.555 -1.336 0.353) 1.489 9.299 ( -4.221 12.346 -0.232) 13.050 ======================= Grid point 563 (225/580) ======================= q-point: (-0.17 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 8.570 -24.744 1.594) 26.235 3.421 ( 15.234 -15.972 -0.674) 22.083 4.215 ( -2.470 -8.455 2.161) 9.069 5.550 ( 5.320 -5.856 0.730) 7.946 6.081 ( 0.754 -2.957 -2.507) 3.949 6.390 ( -2.296 3.956 -0.623) 4.616 8.557 ( -0.532 2.371 0.198) 2.438 8.868 ( 0.921 -2.049 0.263) 2.261 9.331 ( -6.182 12.299 -0.220) 13.767 ======================= Grid point 564 (226/580) ======================= q-point: (-0.11 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 14.037 -21.794 2.695) 26.063 3.402 ( 4.879 -22.276 -0.029) 22.804 4.226 ( 8.769 -1.696 1.831) 9.117 5.557 ( 2.773 -7.103 0.476) 7.640 6.075 ( 2.315 -2.115 -2.342) 3.914 6.399 ( -1.316 4.449 -0.920) 4.730 8.559 ( -1.642 1.678 0.121) 2.351 8.867 ( 1.133 -1.928 0.329) 2.260 9.329 ( -7.695 11.393 -0.142) 13.749 ======================= Grid point 579 (227/580) ======================= q-point: (-0.28 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -0.000 -12.048 -2.131) 12.235 3.088 ( 0.000 -28.293 0.392) 28.296 4.517 ( 0.000 -13.851 2.502) 14.075 5.373 ( 0.000 -2.993 1.054) 3.174 6.123 ( -0.000 -3.921 -2.387) 4.591 6.451 ( -0.000 2.500 -0.394) 2.531 8.515 ( -0.000 1.896 -0.062) 1.897 8.868 ( 0.000 -0.651 0.527) 0.837 9.374 ( -0.000 13.048 -0.187) 13.049 ======================= Grid point 580 (228/580) ======================= q-point: (-0.22 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 2.089 -28.691 -0.016) 28.767 2.905 ( 10.471 -14.855 -1.687) 18.252 4.337 ( -2.630 -18.392 2.256) 18.715 5.375 ( 3.499 -3.672 1.042) 5.178 6.068 ( 0.100 -5.740 -2.173) 6.138 6.473 ( -1.755 5.082 -0.220) 5.381 8.541 ( 0.838 1.854 0.002) 2.035 8.859 ( -0.168 -1.147 0.412) 1.230 9.485 ( -2.471 13.724 -0.196) 13.946 ======================= Grid point 581 (229/580) ======================= q-point: (-0.17 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 6.516 -28.374 0.672) 29.120 2.984 ( 16.035 -17.034 -1.375) 23.434 4.116 ( -0.872 -19.128 1.953) 19.247 5.412 ( 4.839 -4.729 0.873) 6.822 6.011 ( 1.184 -6.480 -1.990) 6.882 6.489 ( -3.122 6.760 -0.219) 7.450 8.575 ( 0.786 1.771 0.079) 1.940 8.843 ( -0.041 -1.743 0.309) 1.771 9.555 ( -5.035 13.540 -0.171) 14.447 ======================= Grid point 582 (230/580) ======================= q-point: (-0.11 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 12.780 -25.599 1.870) 28.673 3.040 ( 11.635 -22.058 -0.559) 24.945 4.010 ( 8.500 -13.895 1.490) 16.357 5.437 ( 3.781 -5.863 0.544) 6.998 5.981 ( 3.312 -5.806 -1.780) 6.917 6.499 ( -3.722 7.242 -0.443) 8.154 8.593 ( -0.580 1.140 0.059) 1.280 8.832 ( 0.825 -1.681 0.331) 1.902 9.577 ( -7.398 12.602 -0.085) 14.613 ======================= Grid point 598 (231/580) ======================= q-point: (-0.22 -0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -0.000 -30.925 -0.293) 30.926 2.649 ( -0.000 -16.821 -2.317) 16.980 4.147 ( 0.000 -25.035 1.933) 25.109 5.313 ( 0.000 -3.646 1.141) 3.821 5.992 ( -0.000 -8.097 -1.837) 8.303 6.552 ( 0.000 7.587 0.088) 7.588 8.549 ( -0.000 1.469 -0.023) 1.469 8.851 ( 0.000 -1.322 0.364) 1.371 9.644 ( -0.000 14.197 -0.191) 14.198 ======================= Grid point 599 (232/580) ======================= q-point: (-0.17 -0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 3.631 -30.570 -0.378) 30.787 2.565 ( 10.951 -19.100 -2.046) 22.112 3.886 ( 0.668 -28.390 1.594) 28.442 5.305 ( 2.814 -4.080 1.045) 5.066 5.908 ( 1.003 -9.399 -1.575) 9.583 6.616 ( -2.270 9.011 0.199) 9.295 8.572 ( 1.053 1.156 0.014) 1.564 8.833 ( -0.444 -1.700 0.295) 1.781 9.757 ( -2.840 13.843 -0.174) 14.132 ======================= Grid point 600 (233/580) ======================= q-point: (-0.11 -0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 9.834 -28.239 0.531) 29.908 2.591 ( 14.625 -22.064 -1.212) 26.499 3.676 ( 7.670 -26.229 1.110) 27.350 5.322 ( 3.662 -4.766 0.703) 6.051 5.845 ( 3.277 -9.190 -1.301) 9.843 6.651 ( -4.216 9.330 0.059) 10.239 8.599 ( 0.812 0.596 0.027) 1.007 8.810 ( -0.051 -1.703 0.290) 1.729 9.815 ( -5.721 12.819 -0.098) 14.038 ======================= Grid point 617 (234/580) ======================= q-point: (-0.17 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -0.000 -30.984 -1.155) 31.005 2.259 ( -0.000 -21.539 -2.378) 21.670 3.569 ( 0.000 -34.534 1.307) 34.559 5.245 ( 0.000 -3.919 1.099) 4.071 5.791 ( -0.000 -11.258 -1.283) 11.331 6.732 ( 0.000 10.070 0.410) 10.078 8.570 ( 0.000 0.680 0.006) 0.680 8.821 ( 0.000 -1.900 0.267) 1.919 9.915 ( -0.000 13.328 -0.196) 13.330 ======================= Grid point 618 (235/580) ======================= q-point: (-0.11 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 5.545 -29.372 -0.988) 29.907 2.134 ( 11.249 -23.517 -1.933) 26.141 3.258 ( 5.394 -35.979 0.955) 36.394 5.230 ( 2.250 -4.054 0.882) 4.719 5.691 ( 2.201 -11.627 -1.004) 11.876 6.809 ( -2.733 10.104 0.359) 10.473 8.585 ( 1.048 0.214 0.019) 1.070 8.798 ( -0.368 -1.971 0.263) 2.022 10.014 ( -3.109 12.198 -0.169) 12.589 ======================= Grid point 636 (236/580) ======================= q-point: (-0.11 -0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -0.000 -28.647 -1.963) 28.714 1.781 ( -0.000 -25.795 -2.300) 25.897 2.823 ( 0.000 -41.778 0.914) 41.788 5.175 ( 0.000 -3.696 0.910) 3.806 5.548 ( -0.000 -12.577 -0.811) 12.603 6.934 ( 0.000 9.854 0.402) 9.862 8.576 ( 0.000 -0.092 0.019) 0.094 8.782 ( 0.000 -2.162 0.273) 2.179 10.155 ( -0.000 10.979 -0.219) 10.981 ======================= Grid point 695 (237/580) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.222 ( 0.000 -0.000 12.744) 12.744 0.222 ( 0.000 -0.000 12.744) 12.744 0.326 ( 0.000 -0.000 18.407) 18.407 5.048 ( -0.000 0.000 -0.605) 0.605 5.048 ( -0.000 0.000 -0.605) 0.605 7.265 ( -0.000 0.000 -0.648) 0.648 8.556 ( 0.000 -0.000 0.049) 0.049 8.556 ( 0.000 -0.000 0.049) 0.049 10.572 ( 0.000 -0.000 0.028) 0.028 ======================= Grid point 696 (238/580) ======================= q-point: ( 0.17 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 9.142 5.278 10.925) 15.192 0.650 ( 24.955 14.408 3.872) 29.074 1.054 ( 41.588 24.011 3.963) 48.185 5.067 ( 1.606 0.927 -0.514) 1.925 5.117 ( 6.034 3.484 -0.406) 6.979 7.222 ( -3.609 -2.084 -0.697) 4.226 8.560 ( 0.372 0.214 0.064) 0.434 8.661 ( 3.816 2.203 -3.311) 5.512 10.480 ( -5.089 -2.938 1.809) 6.149 ======================= Grid point 697 (239/580) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 16.604 9.586 2.993) 19.404 1.225 ( 24.543 14.170 1.868) 28.401 1.991 ( 39.825 22.993 1.678) 46.016 5.115 ( 2.728 1.575 -0.477) 3.186 5.303 ( 10.036 5.794 0.226) 11.590 7.104 ( -6.472 -3.737 -0.629) 7.500 8.570 ( 0.434 0.251 0.065) 0.506 8.719 ( 2.407 1.390 -1.641) 3.228 10.347 ( -7.233 -4.176 0.722) 8.383 ======================= Grid point 698 (240/580) ======================= q-point: ( 0.28 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 22.243 12.842 -1.577) 25.733 1.758 ( 21.959 12.678 1.259) 25.387 2.850 ( 35.430 20.456 0.295) 40.912 5.184 ( 3.381 1.952 -0.486) 3.934 5.552 ( 11.312 6.531 1.000) 13.100 6.935 ( -8.089 -4.670 -0.370) 9.348 8.577 ( 0.064 0.037 0.050) 0.089 8.767 ( 2.096 1.210 -0.957) 2.602 10.154 ( -9.809 -5.663 0.192) 11.328 ======================= Grid point 699 (241/580) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 25.231 14.567 -3.585) 29.354 2.220 ( 18.428 10.640 1.060) 21.306 3.583 ( 29.105 16.804 -0.905) 33.620 5.262 ( 3.527 2.037 -0.518) 4.106 5.804 ( 10.249 5.917 1.752) 11.963 6.748 ( -7.983 -4.609 0.119) 9.218 8.571 ( -0.637 -0.368 0.025) 0.736 8.808 ( 1.713 0.989 -0.694) 2.096 9.909 ( -11.689 -6.749 -0.023) 13.498 ======================= Grid point 700 (242/580) ======================= q-point: ( 0.39 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 25.734 14.857 -4.108) 29.997 2.595 ( 14.415 8.322 1.048) 16.678 4.148 ( 20.856 12.041 -1.962) 24.162 5.338 ( 3.238 1.870 -0.550) 3.780 6.013 ( 7.496 4.328 2.367) 8.973 6.591 ( -5.667 -3.272 0.768) 6.588 8.548 ( -1.366 -0.789 0.006) 1.578 8.840 ( 1.251 0.722 -0.625) 1.574 9.635 ( -12.273 -7.086 -0.025) 14.172 ======================= Grid point 701 (243/580) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 23.958 13.832 -3.669) 27.907 2.878 ( 10.307 5.950 1.125) 11.954 4.509 ( 11.577 6.684 -2.583) 13.615 5.403 ( 2.637 1.522 -0.570) 3.098 6.148 ( 3.594 2.075 2.728) 4.967 6.510 ( -1.509 -0.871 1.240) 2.139 8.512 ( -1.772 -1.023 0.008) 2.046 8.861 ( 0.830 0.479 -0.620) 1.141 9.366 ( -11.135 -6.429 0.058) 12.857 ======================= Grid point 702 (244/580) ======================= q-point: ( 0.50 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 6.439 3.718 1.228) 7.536 3.366 ( 19.758 11.407 -2.394) 22.939 4.674 ( 4.338 2.504 -2.431) 5.567 5.452 ( 1.848 1.067 -0.581) 2.211 6.189 ( -0.456 -0.263 2.732) 2.782 6.522 ( 1.785 1.031 1.047) 2.312 8.472 ( -1.632 -0.942 0.044) 1.885 8.875 ( 0.528 0.305 -0.585) 0.845 9.144 ( -8.288 -4.785 0.083) 9.571 ======================= Grid point 703 (245/580) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 2.998 1.731 1.321) 3.705 3.733 ( 12.494 7.213 -0.273) 14.429 4.725 ( 1.277 0.737 -1.760) 2.296 5.483 ( 0.967 0.558 -0.592) 1.263 6.158 ( -2.452 -1.416 2.219) 3.597 6.570 ( 1.665 0.962 0.235) 1.937 8.442 ( -0.961 -0.555 0.104) 1.115 8.883 ( 0.346 0.200 -0.478) 0.623 9.000 ( -4.351 -2.512 0.010) 5.024 ======================= Grid point 704 (246/580) ======================= q-point: (-0.39 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( -0.102 -0.059 1.404) 1.408 3.904 ( 1.896 1.094 2.294) 3.170 4.742 ( 0.844 0.487 -0.985) 1.385 5.493 ( 0.051 0.029 -0.614) 0.617 6.115 ( -1.268 -0.732 1.100) 1.832 6.582 ( -0.658 -0.380 -0.669) 1.012 8.432 ( 0.017 0.010 0.159) 0.161 8.888 ( 0.191 0.110 -0.343) 0.408 8.950 ( -0.029 -0.017 -0.048) 0.059 ======================= Grid point 705 (247/580) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( -3.184 -1.838 1.493) 3.969 3.823 ( -9.689 -5.594 4.119) 11.922 4.756 ( 0.247 0.142 -0.258) 0.385 5.482 ( -0.868 -0.501 -0.654) 1.197 6.113 ( 0.687 0.397 0.042) 0.794 6.538 ( -2.753 -1.589 -1.291) 3.431 8.444 ( 0.977 0.564 0.177) 1.142 8.889 ( 0.009 0.005 -0.206) 0.206 8.998 ( 4.321 2.495 -0.018) 4.989 ======================= Grid point 706 (248/580) ======================= q-point: (-0.28 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -6.595 -3.807 1.602) 7.782 3.509 ( -18.559 -10.715 4.605) 21.920 4.727 ( -3.567 -2.059 0.027) 4.119 5.450 ( -1.757 -1.015 -0.715) 2.152 6.125 ( -0.101 -0.058 -0.293) 0.315 6.471 ( -2.142 -1.237 -1.427) 2.856 8.474 ( 1.609 0.929 0.146) 1.864 8.886 ( -0.288 -0.166 -0.064) 0.339 9.143 ( 8.362 4.828 0.072) 9.656 ======================= Grid point 707 (249/580) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( -10.453 -6.035 1.726) 12.193 3.035 ( -23.890 -13.793 4.177) 27.900 4.558 ( -11.972 -6.912 -0.319) 13.828 5.399 ( -2.554 -1.475 -0.792) 3.054 6.089 ( -3.319 -1.916 -0.028) 3.833 6.462 ( 2.027 1.170 -1.127) 2.597 8.513 ( 1.718 0.992 0.085) 1.986 8.875 ( -0.706 -0.408 0.026) 0.816 9.369 ( 11.260 6.501 0.185) 13.003 ======================= Grid point 708 (250/580) ======================= q-point: (-0.17 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -26.459 -15.276 3.329) 30.733 2.612 ( -14.597 -8.428 1.858) 16.957 4.172 ( -21.807 -12.590 -0.838) 25.194 5.331 ( -3.152 -1.820 -0.867) 3.741 5.972 ( -6.952 -4.014 0.402) 8.038 6.559 ( 6.560 3.788 -0.718) 7.609 8.549 ( 1.307 0.755 0.024) 1.510 8.854 ( -1.183 -0.683 0.048) 1.367 9.640 ( 12.310 7.107 0.231) 14.216 ======================= Grid point 709 (251/580) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -26.752 -15.445 2.423) 30.985 2.240 ( -18.689 -10.790 2.023) 21.674 3.579 ( -30.002 -17.322 -1.073) 34.660 5.253 ( -3.411 -1.969 -0.915) 4.043 5.783 ( -9.715 -5.609 0.712) 11.240 6.736 ( 8.714 5.031 -0.468) 10.073 8.570 ( 0.596 0.344 -0.013) 0.688 8.822 ( -1.614 -0.932 -0.023) 1.864 9.914 ( 11.549 6.668 0.203) 13.337 ======================= Grid point 714 (252/580) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 0.000 10.922 11.215) 15.655 0.718 ( 0.000 28.667 5.830) 29.254 1.026 ( 0.000 47.207 3.256) 47.319 5.055 ( -0.000 1.386 -0.939) 1.674 5.125 ( -0.000 7.452 -0.171) 7.454 7.219 ( -0.000 -4.224 -0.785) 4.296 8.560 ( 0.000 0.399 0.052) 0.403 8.653 ( -0.000 4.684 -3.057) 5.593 10.485 ( 0.000 -5.978 1.692) 6.213 ======================= Grid point 715 (253/580) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 6.538 15.332 5.774) 17.639 1.130 ( 12.469 27.486 3.268) 30.358 1.722 ( 24.538 38.566 1.806) 45.746 5.090 ( 2.104 2.028 -0.867) 3.048 5.252 ( 4.809 9.647 0.250) 10.782 7.138 ( -3.311 -5.938 -0.773) 6.842 8.570 ( 0.422 0.630 0.057) 0.761 8.698 ( 1.433 2.668 -1.964) 3.609 10.392 ( -3.881 -6.605 0.978) 7.723 ======================= Grid point 716 (254/580) ======================= q-point: ( 0.28 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 13.656 18.690 0.468) 23.153 1.637 ( 15.163 24.633 1.988) 28.994 2.527 ( 29.318 29.401 0.538) 41.524 5.155 ( 2.865 2.855 -0.767) 4.116 5.464 ( 8.243 9.763 0.907) 12.810 6.993 ( -5.694 -6.999 -0.597) 9.042 8.583 ( 0.100 0.877 0.053) 0.884 8.741 ( 1.797 1.545 -1.158) 2.637 10.232 ( -6.870 -7.794 0.383) 10.397 ======================= Grid point 717 (255/580) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 19.062 19.977 -2.437) 27.720 2.118 ( 13.537 22.056 1.493) 25.922 3.270 ( 28.167 21.514 -0.640) 35.449 5.235 ( 2.972 3.586 -0.738) 4.716 5.709 ( 9.222 8.369 1.637) 12.561 6.815 ( -6.615 -7.178 -0.212) 9.763 8.587 ( -0.721 0.792 0.035) 1.072 8.782 ( 1.935 0.865 -0.769) 2.255 10.012 ( -9.300 -8.840 0.077) 12.831 ======================= Grid point 718 (256/580) ======================= q-point: ( 0.39 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 21.961 19.526 -3.477) 29.591 2.529 ( 10.287 19.425 1.325) 22.021 3.884 ( 23.586 13.902 -1.696) 27.430 5.318 ( 2.569 4.112 -0.738) 4.905 5.936 ( 8.060 6.091 2.260) 10.353 6.642 ( -5.567 -6.153 0.360) 8.305 8.572 ( -1.608 0.354 0.009) 1.647 8.818 ( 1.710 0.546 -0.620) 1.899 9.751 ( -10.713 -9.276 0.010) 14.171 ======================= Grid point 719 (257/580) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 22.420 17.739 -3.368) 28.786 2.852 ( 6.501 16.615 1.315) 17.890 4.321 ( 16.586 6.369 -2.437) 17.933 5.396 ( 1.771 4.460 -0.733) 4.854 6.104 ( 5.279 3.311 2.659) 6.775 6.524 ( -2.398 -3.868 0.914) 4.642 8.541 ( -2.179 -0.134 -0.010) 2.183 8.847 ( 1.229 0.492 -0.580) 1.445 9.478 ( -10.630 -8.810 0.077) 13.807 ======================= Grid point 720 (258/580) ======================= q-point: ( 0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 2.924 13.702 1.189) 14.061 3.141 ( 20.374 14.776 -2.262) 25.269 4.562 ( 9.346 0.190 -2.525) 9.683 5.460 ( 0.710 4.690 -0.716) 4.797 6.188 ( 1.489 0.343 2.758) 3.153 6.494 ( 1.461 -1.450 1.011) 2.293 8.500 ( -2.218 -0.352 -0.002) 2.246 8.867 ( 0.713 0.563 -0.553) 1.063 9.230 ( -8.800 -7.350 0.128) 11.466 ======================= Grid point 721 (259/580) ======================= q-point: ( 0.56 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -0.448 11.007 1.352) 11.098 3.574 ( 15.805 10.428 -0.704) 18.949 4.655 ( 4.872 -2.989 -2.005) 6.058 5.507 ( -0.507 4.853 -0.685) 4.928 6.183 ( -1.609 -1.874 2.529) 3.535 6.530 ( 3.006 -0.824 0.419) 3.145 8.463 ( -1.709 -0.181 0.039) 1.719 8.880 ( 0.314 0.650 -0.483) 0.868 9.046 ( -5.497 -5.142 0.073) 7.527 ======================= Grid point 722 (260/580) ======================= q-point: ( 0.61 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( -3.303 8.798 1.419) 9.504 3.853 ( 7.628 4.511 1.476) 8.985 4.684 ( 3.542 -3.743 -1.329) 5.321 5.533 ( -1.845 4.852 -0.634) 5.229 6.132 ( -1.968 -2.298 1.760) 3.500 6.560 ( 1.687 -1.890 -0.418) 2.568 8.441 ( -0.811 0.288 0.090) 0.865 8.888 ( 0.041 0.657 -0.381) 0.761 8.949 ( -1.414 -2.642 -0.018) 2.997 ======================= Grid point 723 (261/580) ======================= q-point: (-0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( -6.158 7.146 1.497) 9.552 3.909 ( -3.558 -2.260 3.347) 5.382 4.702 ( 3.383 -3.919 -0.703) 5.225 5.534 ( -3.159 4.304 -0.589) 5.372 6.102 ( 0.234 -1.104 0.709) 1.333 6.541 ( -0.686 -3.159 -1.046) 3.398 8.442 ( 0.205 0.860 0.118) 0.892 8.892 ( -0.158 0.515 -0.318) 0.625 8.948 ( 2.917 -0.156 0.005) 2.921 ======================= Grid point 724 (262/580) ======================= q-point: (-0.28 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( -9.472 5.709 1.595) 11.174 3.713 ( -14.325 -7.742 4.021) 16.773 4.706 ( 1.652 -5.038 -0.351) 5.314 5.507 ( -4.020 3.222 -0.637) 5.191 6.114 ( 1.168 -0.407 0.182) 1.251 6.480 ( -1.802 -3.319 -1.254) 3.979 8.465 ( 1.032 1.365 0.105) 1.714 8.890 ( -0.357 0.227 -0.185) 0.462 9.044 ( 7.230 2.127 0.050) 7.537 ======================= Grid point 725 (263/580) ======================= q-point: (-0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( -13.402 3.882 1.712) 14.058 3.319 ( -21.898 -10.596 3.642) 24.598 4.625 ( -4.542 -7.947 -0.554) 9.170 5.459 ( -4.503 2.069 -0.746) 5.012 6.111 ( -1.074 -1.297 0.308) 1.712 6.434 ( 0.491 -1.651 -1.032) 2.008 8.501 ( 1.396 1.682 0.060) 2.187 8.882 ( -0.626 -0.246 -0.084) 0.677 9.230 ( 10.939 3.914 0.147) 11.619 ======================= Grid point 726 (264/580) ======================= q-point: (-0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -25.281 -11.410 2.672) 27.865 2.875 ( -18.833 1.652 1.885) 18.999 4.366 ( -14.695 -11.556 -1.013) 18.722 5.392 ( -4.816 1.061 -0.843) 5.003 6.043 ( -4.902 -2.773 0.669) 5.671 6.477 ( 5.329 0.879 -0.642) 5.439 8.541 ( 1.169 1.739 0.011) 2.095 8.863 ( -0.932 -0.793 -0.046) 1.225 9.481 ( 13.126 4.739 0.210) 13.957 ======================= Grid point 727 (265/580) ======================= q-point: (-0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -28.323 -11.705 1.743) 30.696 2.548 ( -22.166 0.167 1.866) 22.245 3.898 ( -25.037 -13.717 -1.206) 28.574 5.313 ( -4.902 0.306 -0.896) 4.993 5.897 ( -8.580 -3.808 0.936) 9.434 6.618 ( 9.006 2.475 -0.395) 9.348 8.572 ( 0.470 1.508 -0.018) 1.580 8.835 ( -1.237 -1.229 -0.087) 1.746 9.756 ( 13.413 4.488 0.192) 14.145 ======================= Grid point 733 (266/580) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.000 19.621 4.344) 20.096 1.307 ( 0.000 28.076 3.742) 28.325 1.956 ( 0.000 45.607 1.009) 45.618 5.090 ( -0.000 2.740 -1.110) 2.956 5.321 ( 0.000 11.924 0.580) 11.938 7.096 ( -0.000 -7.655 -0.810) 7.698 8.570 ( 0.000 0.477 0.049) 0.479 8.713 ( -0.000 3.201 -1.641) 3.597 10.353 ( 0.000 -8.441 0.790) 8.478 ======================= Grid point 734 (267/580) ======================= q-point: ( 0.28 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 5.409 23.235 1.097) 23.882 1.684 ( 10.377 26.613 2.686) 28.691 2.503 ( 12.745 39.260 0.277) 41.277 5.137 ( 2.234 3.285 -1.049) 4.109 5.476 ( 3.582 12.359 1.043) 12.910 6.987 ( -2.914 -8.708 -0.687) 9.209 8.582 ( 0.771 0.482 0.041) 0.911 8.741 ( 0.291 2.567 -1.135) 2.822 10.235 ( -3.491 -9.754 0.420) 10.369 ======================= Grid point 735 (268/580) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 11.033 24.873 -1.581) 27.256 2.150 ( 12.505 25.462 1.878) 28.429 3.108 ( 18.077 29.155 -0.617) 34.310 5.218 ( 3.226 4.054 -0.953) 5.268 5.678 ( 5.890 10.877 1.633) 12.477 6.831 ( -4.764 -8.950 -0.372) 10.146 8.599 ( 0.402 0.561 0.032) 0.691 8.767 ( 0.741 1.648 -0.785) 1.970 10.050 ( -6.401 -10.759 0.144) 12.520 ======================= Grid point 736 (269/580) ======================= q-point: ( 0.39 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 15.516 24.300 -2.914) 28.979 2.594 ( 9.820 24.567 1.495) 26.499 3.659 ( 19.090 18.317 -1.549) 26.502 5.315 ( 3.125 5.021 -0.905) 5.983 5.885 ( 6.489 8.130 2.208) 10.634 6.661 ( -4.908 -8.100 0.120) 9.471 8.600 ( -0.876 0.332 -0.000) 0.936 8.796 ( 1.358 1.049 -0.599) 1.818 9.814 ( -8.482 -11.220 0.056) 14.066 ======================= Grid point 737 (270/580) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 18.028 22.061 -3.112) 28.659 2.962 ( 5.355 23.086 1.329) 23.736 4.090 ( 16.705 7.920 -2.246) 18.624 5.414 ( 2.299 5.983 -0.875) 6.469 6.058 ( 5.349 4.808 2.613) 7.652 6.522 ( -2.983 -6.009 0.645) 6.739 8.576 ( -1.934 -0.257 -0.065) 1.952 8.829 ( 1.444 1.025 -0.490) 1.838 9.552 ( -9.334 -10.869 0.114) 14.327 ======================= Grid point 738 (271/580) ======================= q-point: ( 0.50 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 18.281 18.597 -2.537) 26.201 3.232 ( 0.843 20.532 1.256) 20.588 4.364 ( 12.208 -0.346 -2.365) 12.440 5.503 ( 1.052 6.809 -0.826) 6.939 6.166 ( 2.714 1.331 2.742) 4.082 6.456 ( 0.386 -3.501 0.877) 3.629 8.534 ( -2.244 -0.756 -0.120) 2.371 8.860 ( 0.972 1.301 -0.406) 1.674 9.296 ( -8.602 -9.572 0.191) 12.870 ======================= Grid point 739 (272/580) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 2.775 16.006 -0.720) 16.261 3.425 ( 10.579 15.141 0.572) 18.480 4.500 ( 7.922 -4.555 -1.846) 9.323 5.576 ( -0.388 7.442 -0.735) 7.489 6.190 ( -0.450 -1.663 2.625) 3.140 6.462 ( 2.975 -2.400 0.497) 3.855 8.489 ( -1.855 -0.863 -0.133) 2.050 8.884 ( 0.323 1.606 -0.318) 1.669 9.085 ( -6.251 -7.474 0.170) 9.745 ======================= Grid point 740 (273/580) ======================= q-point: ( 0.61 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( -4.926 13.753 0.826) 14.632 3.760 ( 10.674 8.461 0.659) 13.637 4.555 ( 5.354 -5.362 -1.134) 7.662 5.630 ( -1.952 7.823 -0.573) 8.083 6.146 ( -2.169 -3.152 2.135) 4.382 6.491 ( 3.130 -3.200 -0.247) 4.483 8.457 ( -0.988 -0.564 -0.110) 1.143 8.900 ( -0.260 1.739 -0.226) 1.773 8.946 ( -2.730 -4.971 0.064) 5.672 ======================= Grid point 741 (274/580) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( -6.836 11.873 0.931) 13.732 3.926 ( 1.842 1.912 2.218) 3.459 4.581 ( 4.371 -5.519 -0.597) 7.066 5.656 ( -3.924 7.569 -0.326) 8.532 6.091 ( -0.868 -2.700 1.192) 3.076 6.493 ( 1.563 -4.416 -0.832) 4.757 8.446 ( 0.071 -0.003 -0.084) 0.110 8.895 ( 1.035 -2.111 -0.234) 2.363 8.910 ( -0.387 1.227 0.074) 1.289 ======================= Grid point 742 (275/580) ======================= q-point: (-0.28 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( -9.598 11.186 1.082) 14.779 3.862 ( -8.889 -3.909 2.923) 10.142 4.591 ( 3.871 -6.750 -0.351) 7.789 5.640 ( -5.822 6.254 -0.244) 8.548 6.082 ( 1.584 -1.302 0.522) 2.116 6.455 ( -0.183 -4.710 -1.021) 4.823 8.459 ( 1.043 0.651 -0.077) 1.232 8.906 ( -0.710 1.126 -0.252) 1.355 8.944 ( 5.325 -0.186 0.171) 5.331 ======================= Grid point 743 (276/580) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( -13.801 9.663 1.329) 16.900 3.583 ( -17.920 -6.518 2.519) 19.234 4.562 ( 1.256 -9.023 -0.607) 9.130 5.585 ( -6.549 4.615 -0.437) 8.024 6.101 ( 1.102 -1.075 0.621) 1.660 6.405 ( -0.112 -3.478 -0.808) 3.573 8.492 ( 1.661 1.242 -0.087) 2.076 8.897 ( -1.192 0.518 -0.091) 1.303 9.081 ( 9.675 1.541 0.132) 9.798 ======================= Grid point 744 (277/580) ======================= q-point: (-0.17 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -23.477 -7.413 1.753) 24.682 3.255 ( -19.193 7.678 1.275) 20.711 4.428 ( -5.897 -10.920 -1.157) 12.464 5.509 ( -6.645 3.063 -0.632) 7.344 6.083 ( -2.096 -1.784 1.020) 2.935 6.401 ( 3.086 -1.226 -0.393) 3.344 8.535 ( 1.701 1.609 -0.091) 2.343 8.876 ( -1.381 -0.288 -0.080) 1.413 9.295 ( 12.818 2.520 0.183) 13.064 ======================= Grid point 745 (278/580) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( -27.822 -7.892 0.563) 28.925 2.973 ( -22.955 5.666 1.306) 23.680 4.131 ( -16.245 -10.412 -1.415) 19.347 5.418 ( -6.457 1.715 -0.722) 6.720 5.997 ( -6.097 -2.219 1.272) 6.612 6.489 ( 7.508 0.555 -0.085) 7.529 8.576 ( 1.108 1.583 -0.071) 1.933 8.845 ( -1.467 -0.904 -0.144) 1.729 9.553 ( 14.263 2.440 0.165) 14.471 ======================= Grid point 752 (279/580) ======================= q-point: ( 0.28 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -0.000 26.476 -0.128) 26.477 1.849 ( 0.000 25.170 2.634) 25.308 2.808 ( -0.000 40.673 -0.162) 40.673 5.147 ( -0.000 3.628 -1.090) 3.788 5.578 ( 0.000 13.178 1.302) 13.242 6.920 ( -0.000 -9.636 -0.604) 9.654 8.576 ( 0.000 0.074 0.039) 0.084 8.764 ( -0.000 2.746 -0.943) 2.903 10.162 ( 0.000 -11.289 0.284) 11.292 ======================= Grid point 753 (280/580) ======================= q-point: ( 0.33 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 4.318 28.317 -1.764) 28.699 2.189 ( 10.312 23.225 2.018) 25.492 3.234 ( 5.390 34.862 -0.753) 35.284 5.204 ( 2.496 4.002 -0.996) 4.821 5.729 ( 2.298 12.199 1.693) 12.529 6.800 ( -2.502 -9.733 -0.326) 10.055 8.585 ( 1.038 -0.237 0.026) 1.065 8.784 ( -0.328 2.308 -0.730) 2.443 10.018 ( -3.196 -12.334 0.118) 12.742 ======================= Grid point 754 (281/580) ======================= q-point: ( 0.39 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 8.463 28.159 -2.875) 29.543 2.629 ( 13.742 21.947 1.498) 25.938 3.640 ( 7.478 25.163 -1.477) 26.292 5.300 ( 3.921 4.718 -0.916) 6.203 5.894 ( 3.529 9.728 2.153) 10.570 6.652 ( -3.783 -8.821 0.115) 9.598 8.599 ( 0.795 -0.666 -0.003) 1.037 8.798 ( -0.041 1.892 -0.584) 1.980 9.818 ( -5.773 -12.784 0.055) 14.027 ======================= Grid point 755 (282/580) ======================= q-point: ( 0.44 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 11.858 26.048 -3.184) 28.797 3.064 ( 11.010 21.872 1.221) 24.517 3.959 ( 8.270 13.163 -2.102) 15.687 5.417 ( 3.969 5.818 -0.891) 7.099 6.042 ( 3.627 6.298 2.542) 7.700 6.514 ( -3.226 -6.789 0.589) 7.540 8.591 ( -0.626 -1.295 -0.089) 1.441 8.821 ( 0.845 1.868 -0.445) 2.098 9.580 ( -7.380 -12.456 0.116) 14.479 ======================= Grid point 756 (283/580) ======================= q-point: ( 0.50 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 13.778 22.455 -2.784) 26.492 3.416 ( 4.386 21.726 0.974) 22.186 4.169 ( 8.923 1.856 -2.177) 9.370 5.538 ( 2.931 7.041 -0.872) 7.676 6.147 ( 2.468 2.486 2.709) 4.428 6.424 ( -1.024 -4.368 0.839) 4.564 8.554 ( -1.650 -1.868 -0.203) 2.501 8.858 ( 1.139 2.164 -0.289) 2.462 9.334 ( -7.670 -11.239 0.217) 13.609 ======================= Grid point 757 (284/580) ======================= q-point: ( 0.56 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 13.648 17.812 -1.877) 22.518 3.632 ( -2.375 18.302 0.513) 18.463 4.305 ( 9.067 -3.260 -1.373) 9.732 5.646 ( 1.296 8.014 -0.786) 8.156 6.185 ( 0.262 -1.026 2.634) 2.839 6.395 ( 1.518 -3.183 0.587) 3.575 8.504 ( -1.674 -2.112 -0.268) 2.709 8.896 ( 0.664 2.542 -0.152) 2.632 9.111 ( -6.439 -9.232 0.241) 11.258 ======================= Grid point 758 (285/580) ======================= q-point: ( 0.61 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 8.098 12.372 -0.990) 14.820 3.720 ( -2.014 11.942 0.457) 12.120 4.412 ( 6.491 -1.699 -0.282) 6.715 5.732 ( -0.459 8.439 -0.562) 8.470 6.156 ( -1.805 -3.137 2.301) 4.289 6.401 ( 2.831 -3.971 -0.095) 4.877 8.460 ( -0.939 -1.946 -0.277) 2.178 8.927 ( -0.212 2.595 -0.033) 2.604 8.945 ( -3.750 -6.595 0.147) 7.588 ======================= Grid point 759 (286/580) ======================= q-point: ( 0.67 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.721 ( -4.278 8.429 -0.286) 9.457 3.909 ( 5.034 6.100 0.974) 7.969 4.482 ( 2.632 -0.356 0.351) 2.679 5.791 ( -2.284 8.261 -0.125) 8.572 6.090 ( -2.210 -3.457 1.464) 4.356 6.404 ( 2.787 -5.277 -0.671) 6.006 8.436 ( 0.179 -1.431 -0.261) 1.466 8.854 ( -0.322 -4.303 0.042) 4.316 8.945 ( -0.926 2.697 0.037) 2.852 ======================= Grid point 760 (287/580) ======================= q-point: (-0.28 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( -4.718 8.757 -0.076) 9.947 3.958 ( -3.676 0.268 1.617) 4.025 4.493 ( 0.288 -2.553 0.466) 2.611 5.806 ( -5.243 7.244 0.307) 8.948 6.044 ( 0.500 -2.377 0.559) 2.492 6.388 ( 1.846 -5.513 -0.823) 5.872 8.438 ( 1.326 -0.698 -0.250) 1.519 8.851 ( 3.600 -2.044 -0.016) 4.140 8.949 ( -1.535 2.194 0.094) 2.680 ======================= Grid point 761 (288/580) ======================= q-point: (-0.22 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.707 ( -9.792 7.898 0.573) 12.593 3.812 ( -11.912 -0.478 1.004) 11.964 4.448 ( 0.283 -7.368 0.005) 7.374 5.757 ( -7.508 5.290 0.023) 9.185 6.060 ( 2.431 -1.177 0.728) 2.797 6.359 ( 0.933 -4.203 -0.566) 4.343 8.465 ( 2.213 0.075 -0.244) 2.227 8.926 ( 2.256 0.711 -0.242) 2.378 8.946 ( 3.443 0.428 0.365) 3.488 ======================= Grid point 762 (289/580) ======================= q-point: (-0.17 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( -20.405 -4.608 0.676) 20.930 3.655 ( -15.908 10.475 0.363) 19.051 4.363 ( -0.118 -10.001 -0.946) 10.046 5.666 ( -7.960 3.383 -0.379) 8.657 6.084 ( 0.762 -1.026 1.373) 1.876 6.346 ( 1.593 -2.007 -0.111) 2.565 8.509 ( 2.584 0.642 -0.221) 2.672 8.907 ( -2.185 0.467 -0.059) 2.235 9.105 ( 11.300 0.785 0.193) 11.329 ======================= Grid point 763 (290/580) ======================= q-point: (-0.11 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( -25.619 -4.279 -0.609) 25.981 3.416 ( -21.683 5.462 0.610) 22.368 4.232 ( -6.029 -6.421 -1.603) 8.953 5.555 ( -7.688 1.606 -0.546) 7.873 6.062 ( -2.826 -0.868 1.758) 3.439 6.386 ( 4.596 -0.174 0.307) 4.610 8.558 ( 2.269 0.717 -0.158) 2.385 8.870 ( -2.188 -0.209 -0.162) 2.204 9.329 ( 13.773 0.819 0.175) 13.798 ======================= Grid point 771 (291/580) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -0.000 30.197 -2.618) 30.311 2.318 ( 0.000 21.175 1.800) 21.252 3.536 ( -0.000 33.496 -1.059) 33.512 5.217 ( -0.000 3.954 -0.899) 4.054 5.835 ( 0.000 11.779 1.861) 11.925 6.725 ( -0.000 -9.557 -0.073) 9.558 8.571 ( 0.000 -0.683 0.026) 0.683 8.808 ( -0.000 2.101 -0.657) 2.202 9.919 ( 0.000 -13.399 0.041) 13.399 ======================= Grid point 772 (292/580) ======================= q-point: ( 0.39 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 3.137 30.398 -3.367) 30.744 2.612 ( 10.343 18.815 1.343) 21.513 3.843 ( 0.534 27.412 -1.513) 27.459 5.279 ( 2.932 4.139 -0.776) 5.132 5.960 ( 1.163 9.886 2.130) 10.180 6.618 ( -2.068 -8.382 0.338) 8.640 8.571 ( 1.006 -1.170 0.009) 1.543 8.820 ( -0.406 1.783 -0.585) 1.920 9.760 ( -2.839 -13.811 0.007) 14.100 ======================= Grid point 773 (293/580) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 5.953 28.731 -3.635) 29.565 3.016 ( 15.465 16.683 0.936) 22.768 4.062 ( -1.051 18.488 -1.919) 18.617 5.389 ( 4.924 4.796 -0.725) 6.912 6.073 ( 1.482 6.911 2.413) 7.469 6.503 ( -2.852 -6.213 0.771) 6.880 8.573 ( 0.670 -1.850 -0.047) 1.968 8.832 ( 0.064 1.828 -0.486) 1.893 9.558 ( -4.980 -13.430 0.066) 14.324 ======================= Grid point 774 (294/580) ======================= q-point: ( 0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 8.325 25.359 -3.330) 26.897 3.440 ( 14.756 15.292 0.614) 21.259 4.157 ( -2.342 8.713 -1.939) 9.228 5.529 ( 5.327 5.896 -0.759) 7.982 6.153 ( 1.044 3.272 2.583) 4.297 6.413 ( -2.171 -3.791 0.995) 4.481 8.552 ( -0.666 -2.496 -0.159) 2.588 8.860 ( 1.066 2.202 -0.313) 2.466 9.336 ( -6.103 -12.187 0.174) 13.631 ======================= Grid point 775 (295/580) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( 9.645 20.746 -2.522) 23.017 3.776 ( 6.519 12.462 -0.188) 14.066 4.183 ( 1.599 2.904 -0.914) 3.439 5.673 ( 4.194 7.020 -0.792) 8.216 6.182 ( -0.087 -0.397 2.578) 2.610 6.361 ( -0.739 -2.654 0.792) 2.866 8.505 ( -1.446 -2.789 -0.249) 3.152 8.905 ( 1.353 2.611 -0.127) 2.944 9.122 ( -5.963 -10.185 0.234) 11.805 ======================= Grid point 776 (296/580) ======================= q-point: ( 0.61 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( 9.129 15.344 -1.368) 17.906 3.857 ( -3.061 2.498 -1.374) 4.183 4.325 ( 6.951 7.987 0.811) 10.619 5.797 ( 2.091 7.423 -0.674) 7.741 6.160 ( -1.359 -2.781 2.368) 3.897 6.332 ( 0.578 -3.593 0.160) 3.642 8.454 ( -1.197 -2.676 -0.277) 2.945 8.943 ( -3.706 -6.409 0.282) 7.409 8.953 ( -0.006 1.542 -0.077) 1.544 ======================= Grid point 777 (297/580) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.801 ( -1.620 -0.940 -1.074) 2.159 3.887 ( 6.028 9.064 -0.382) 10.892 4.500 ( 1.949 9.654 1.232) 9.925 5.881 ( 0.082 6.269 -0.167) 6.271 6.105 ( -2.344 -2.675 1.616) 3.906 6.307 ( 1.726 -5.259 -0.471) 5.555 8.416 ( -0.216 -2.201 -0.273) 2.228 8.825 ( -1.864 -5.275 0.117) 5.596 8.985 ( -0.238 2.841 0.074) 2.852 ======================= Grid point 778 (298/580) ======================= q-point: (-0.28 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.787 ( 1.579 -0.448 -1.057) 1.952 4.007 ( 0.038 3.630 0.543) 3.671 4.567 ( -4.481 7.146 1.249) 8.526 5.925 ( -0.851 4.072 0.863) 4.248 6.044 ( -2.943 -0.764 0.204) 3.047 6.289 ( 2.673 -5.592 -0.647) 6.232 8.404 ( 1.060 -1.461 -0.272) 1.825 8.782 ( 1.514 -3.009 0.064) 3.369 8.998 ( -1.299 2.354 0.104) 2.691 ======================= Grid point 779 (299/580) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.836 ( 2.342 2.748 -1.132) 3.784 3.957 ( -7.242 -0.774 0.508) 7.301 4.495 ( -9.041 1.516 1.001) 9.222 5.922 ( -5.294 3.444 0.831) 6.370 6.013 ( 1.061 -0.607 0.126) 1.229 6.286 ( 2.679 -3.897 -0.353) 4.742 8.422 ( 2.231 -0.630 -0.280) 2.335 8.819 ( 5.217 -1.177 0.094) 5.349 8.988 ( -2.135 1.495 0.087) 2.608 ======================= Grid point 780 (300/580) ======================= q-point: (-0.17 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( -15.728 -1.904 -0.292) 15.846 3.920 ( -2.136 5.778 -1.192) 6.275 4.321 ( -7.911 -4.863 0.359) 9.293 5.830 ( -7.924 1.845 -0.283) 8.141 6.050 ( 2.585 -0.288 1.567) 3.036 6.300 ( 2.008 -1.387 0.138) 2.445 8.463 ( 2.965 0.010 -0.274) 2.978 8.931 ( 7.413 0.071 0.090) 7.414 8.959 ( -1.183 0.366 0.093) 1.242 ======================= Grid point 781 (301/580) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( -21.836 -1.384 -1.449) 21.928 3.785 ( -17.224 -0.562 -0.300) 17.236 4.230 ( 0.154 0.003 -1.256) 1.265 5.699 ( -8.199 0.034 -0.503) 8.215 6.084 ( 0.497 0.134 2.209) 2.268 6.332 ( 2.309 0.511 0.607) 2.442 8.515 ( 3.011 0.106 -0.224) 3.021 8.911 ( -2.666 -0.093 -0.143) 2.671 9.113 ( 11.857 -0.053 0.216) 11.859 ======================= Grid point 790 (302/580) ======================= q-point: ( 0.39 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -0.000 30.934 -3.952) 31.186 2.697 ( 0.000 16.604 1.077) 16.639 4.096 ( -0.000 24.122 -1.734) 24.184 5.289 ( -0.000 3.743 -0.594) 3.790 6.049 ( 0.000 8.550 2.195) 8.827 6.561 ( 0.000 -6.890 0.722) 6.928 8.549 ( 0.000 -1.455 0.008) 1.455 8.838 ( -0.000 1.316 -0.576) 1.436 9.646 ( 0.000 -14.141 -0.028) 14.141 ======================= Grid point 791 (303/580) ======================= q-point: ( 0.44 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 1.923 29.701 -4.220) 30.061 2.940 ( 10.060 13.998 0.706) 17.252 4.278 ( -2.639 17.794 -1.929) 18.092 5.354 ( 3.528 3.780 -0.473) 5.192 6.131 ( 0.259 6.109 2.300) 6.532 6.492 ( -1.680 -4.526 1.115) 4.955 8.541 ( 0.750 -1.858 -0.015) 2.004 8.846 ( -0.076 1.140 -0.526) 1.257 9.488 ( -2.416 -13.645 0.003) 13.858 ======================= Grid point 792 (304/580) ======================= q-point: ( 0.50 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 3.581 26.630 -4.030) 27.170 3.291 ( 15.787 11.045 0.377) 19.270 4.338 ( -6.075 10.854 -1.820) 12.571 5.477 ( 6.135 4.400 -0.489) 7.565 6.184 ( -0.120 2.937 2.365) 3.773 6.428 ( -2.448 -2.065 1.291) 3.453 8.530 ( 0.222 -2.347 -0.069) 2.359 8.862 ( 0.767 1.414 -0.395) 1.657 9.303 ( -4.116 -12.287 0.085) 12.959 ======================= Grid point 793 (305/580) ======================= q-point: ( 0.56 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( 5.170 22.043 -3.301) 22.881 3.656 ( 15.231 6.739 -0.114) 16.656 4.300 ( -6.676 7.135 -1.124) 9.836 5.636 ( 6.842 5.369 -0.627) 8.720 6.195 ( -0.897 -0.420 2.378) 2.576 6.375 ( -2.587 -0.929 1.073) 2.951 8.499 ( -0.975 -2.635 -0.131) 2.812 8.899 ( 1.817 1.856 -0.202) 2.605 9.115 ( -4.872 -10.197 0.149) 11.301 ======================= Grid point 794 (306/580) ======================= q-point: ( 0.61 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.651 ( 6.108 16.341 -2.108) 17.572 3.852 ( 3.210 -1.599 -1.172) 3.772 4.339 ( 3.033 10.963 0.330) 11.379 5.797 ( 5.378 5.958 -0.772) 8.064 6.163 ( -1.515 -2.856 2.316) 3.977 6.322 ( -2.458 -1.850 0.501) 3.117 8.450 ( -1.500 -2.537 -0.153) 2.951 8.941 ( -2.780 -5.434 0.302) 6.112 8.957 ( 0.209 -0.120 -0.199) 0.312 ======================= Grid point 795 (307/580) ======================= q-point: ( 0.67 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( -1.612 -4.449 -0.660) 4.778 3.891 ( 4.778 10.780 -1.392) 11.874 4.552 ( 5.834 11.516 0.809) 12.934 5.914 ( 2.015 4.469 -0.585) 4.937 6.115 ( -1.108 -2.569 1.832) 3.344 6.258 ( -1.624 -3.670 -0.128) 4.016 8.404 ( -1.026 -2.079 -0.146) 2.323 8.816 ( -3.056 -5.243 0.118) 6.070 9.003 ( 1.156 2.173 0.016) 2.461 ======================= Grid point 796 (308/580) ======================= q-point: ( 0.72 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( 0.689 -3.447 -0.723) 3.588 4.035 ( 2.128 5.603 -0.199) 5.997 4.707 ( -0.473 8.653 0.838) 8.706 5.944 ( -0.275 0.008 0.359) 0.452 6.096 ( -1.183 1.178 0.527) 1.751 6.206 ( 0.505 -4.141 -0.438) 4.194 8.379 ( 0.120 -1.349 -0.152) 1.363 8.744 ( -0.584 -2.956 0.064) 3.014 9.031 ( -0.120 1.704 0.058) 1.709 ======================= Grid point 797 (309/580) ======================= q-point: (-0.22 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.755 ( 4.824 -0.936 -0.926) 5.001 4.057 ( -3.595 1.207 0.101) 3.794 4.694 ( -8.365 3.508 0.706) 9.098 5.941 ( 0.967 -1.232 0.720) 1.723 6.074 ( -3.749 2.006 -0.032) 4.252 6.202 ( 2.934 -2.296 -0.187) 3.730 8.382 ( 1.456 -0.513 -0.181) 1.554 8.741 ( 2.544 -1.111 0.086) 2.777 9.031 ( -1.415 0.862 0.053) 1.658 ======================= Grid point 798 (310/580) ======================= q-point: (-0.17 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.852 ( 5.395 0.339 -1.534) 5.619 3.943 ( -8.885 -0.500 -0.362) 8.906 4.514 ( -13.383 -0.910 0.506) 13.423 5.936 ( -2.527 -1.209 -0.187) 2.808 6.030 ( -1.125 0.919 1.225) 1.900 6.250 ( 3.262 0.516 0.284) 3.315 8.415 ( 2.519 0.140 -0.215) 2.532 8.808 ( 5.832 -0.002 0.164) 5.834 9.002 ( -2.345 -0.096 0.003) 2.347 ======================= Grid point 799 (311/580) ======================= q-point: (-0.11 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( -16.287 0.007 -1.678) 16.373 3.914 ( -2.664 -5.872 -1.443) 6.608 4.310 ( -7.614 3.882 -0.111) 8.547 5.821 ( -7.363 -2.237 -0.613) 7.720 6.066 ( 2.410 0.604 2.281) 3.373 6.313 ( 2.069 2.372 0.737) 3.233 8.464 ( 2.943 0.220 -0.219) 2.959 8.934 ( 7.936 0.130 0.217) 7.940 8.955 ( -1.750 -0.765 -0.097) 1.912 ======================= Grid point 809 (312/580) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 0.000 11.895 0.403) 11.902 3.019 ( -0.000 28.916 -4.560) 29.274 4.455 ( -0.000 13.547 -1.953) 13.687 5.354 ( -0.000 3.111 -0.246) 3.121 6.187 ( 0.000 4.145 2.212) 4.698 6.477 ( 0.000 -2.144 1.450) 2.588 8.516 ( -0.000 -1.871 -0.022) 1.871 8.853 ( -0.000 0.634 -0.500) 0.807 9.376 ( 0.000 -12.993 -0.021) 12.993 ======================= Grid point 810 (313/580) ======================= q-point: ( 0.50 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 9.294 9.340 -0.050) 13.176 3.285 ( 0.835 26.184 -4.327) 26.552 4.522 ( -4.220 8.456 -1.746) 9.610 5.420 ( 4.266 3.073 -0.162) 5.260 6.219 ( -0.407 1.476 2.120) 2.615 6.458 ( -1.638 0.094 1.550) 2.257 8.502 ( 0.454 -1.981 -0.041) 2.033 8.860 ( 0.408 0.594 -0.395) 0.822 9.238 ( -1.993 -11.475 0.008) 11.647 ======================= Grid point 811 (314/580) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( 13.180 6.885 -0.889) 14.897 3.534 ( 2.605 20.860 -3.108) 21.250 4.480 ( -7.092 5.032 -1.248) 8.786 5.554 ( 7.435 3.685 -0.292) 8.304 6.212 ( -1.192 -1.261 2.031) 2.671 6.429 ( -3.056 1.002 1.284) 3.463 8.486 ( -0.211 -2.053 -0.044) 2.064 8.882 ( 1.568 0.883 -0.232) 1.814 9.090 ( -3.357 -9.253 0.042) 9.843 ======================= Grid point 812 (315/580) ======================= q-point: ( 0.61 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( 7.481 5.967 -1.514) 9.688 3.765 ( 5.625 11.270 -1.619) 12.699 4.423 ( -3.204 5.523 -0.557) 6.410 5.729 ( 8.155 4.406 -0.588) 9.288 6.168 ( -1.879 -3.339 1.925) 4.288 6.376 ( -4.308 0.211 0.772) 4.382 8.453 ( -1.294 -1.892 -0.015) 2.293 8.925 ( 1.477 -0.417 0.123) 1.540 8.952 ( -2.843 -5.100 -0.167) 5.841 ======================= Grid point 813 (316/580) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.775 ( -0.024 -2.178 -0.057) 2.179 3.923 ( 2.862 9.713 -1.803) 10.286 4.526 ( 7.104 6.979 -0.070) 9.959 5.893 ( 5.555 4.273 -0.963) 7.075 6.105 ( -1.267 -4.015 1.782) 4.572 6.292 ( -4.900 -1.271 0.254) 5.068 8.410 ( -1.637 -1.423 0.024) 2.169 8.827 ( -3.616 -4.219 0.066) 5.557 8.988 ( 2.488 1.235 -0.070) 2.779 ======================= Grid point 814 (317/580) ======================= q-point: ( 0.72 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( -2.349 -1.737 0.144) 2.925 4.043 ( 2.785 4.711 -0.664) 5.513 4.718 ( 6.861 4.326 0.010) 8.111 5.955 ( -0.868 0.447 -0.555) 1.123 6.092 ( 2.216 -0.732 0.901) 2.502 6.201 ( -3.453 -1.665 -0.103) 3.835 8.376 ( -1.016 -0.694 0.035) 1.231 8.745 ( -2.325 -1.921 0.001) 3.016 9.032 ( 1.448 0.780 -0.016) 1.645 ======================= Grid point 815 (318/580) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( 0.957 0.694 0.004) 1.182 4.095 ( 0.237 0.410 -0.016) 0.474 4.794 ( -0.818 -0.784 0.027) 1.134 5.929 ( -0.803 -0.692 -0.125) 1.067 6.116 ( 0.053 -0.038 0.350) 0.356 6.164 ( 0.086 0.181 -0.238) 0.312 8.366 ( 0.187 0.141 0.000) 0.234 8.714 ( -0.100 -0.069 -0.000) 0.122 9.048 ( -0.058 -0.053 -0.000) 0.079 ======================= Grid point 816 (319/580) ======================= q-point: (-0.17 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( 4.431 2.045 -0.477) 4.904 4.055 ( -4.278 -1.383 -0.218) 4.501 4.679 ( -8.344 -5.092 0.056) 9.775 5.925 ( 0.684 -0.459 0.018) 0.824 6.082 ( -3.016 -1.498 0.295) 3.381 6.211 ( 3.169 3.081 0.201) 4.424 8.384 ( 1.418 0.789 -0.068) 1.624 8.741 ( 2.613 1.047 0.067) 2.816 9.030 ( -1.436 -0.994 -0.007) 1.746 ======================= Grid point 817 (320/580) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( 1.086 -2.025 -0.899) 2.468 3.931 ( -8.221 -0.577 -1.247) 8.335 4.472 ( -8.797 -2.252 0.030) 9.080 5.892 ( -4.164 -3.248 -0.514) 5.306 6.042 ( 0.931 -0.223 1.560) 1.831 6.306 ( 2.948 4.515 0.529) 5.418 8.424 ( 2.161 0.844 -0.134) 2.324 8.820 ( 5.316 1.160 0.150) 5.443 8.984 ( -2.212 -1.602 -0.058) 2.732 ======================= Grid point 828 (321/580) ======================= q-point: ( 0.50 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( -0.000 7.440 -0.248) 7.445 3.516 ( -0.000 23.920 -4.523) 24.344 4.622 ( -0.000 5.208 -1.464) 5.410 5.406 ( 0.000 2.205 0.094) 2.207 6.234 ( 0.000 -0.494 1.867) 1.931 6.487 ( 0.000 1.715 1.567) 2.323 8.480 ( -0.000 -1.713 -0.067) 1.715 8.859 ( -0.000 0.221 -0.280) 0.357 9.150 ( 0.000 -9.805 -0.024) 9.805 ======================= Grid point 829 (322/580) ======================= q-point: ( 0.56 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 8.556 5.090 -0.551) 9.971 3.716 ( -0.352 19.497 -3.970) 19.900 4.617 ( -4.491 2.835 -0.993) 5.403 5.471 ( 5.122 2.141 0.112) 5.553 6.218 ( -0.837 -2.281 1.588) 2.902 6.494 ( -2.042 2.026 1.278) 3.147 8.467 ( 0.259 -1.479 -0.064) 1.503 8.866 ( 0.807 0.244 -0.112) 0.851 9.050 ( -1.664 -7.476 -0.031) 7.659 ======================= Grid point 830 (323/580) ======================= q-point: ( 0.61 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.529 ( 12.186 2.435 -0.630) 12.443 3.863 ( -0.030 13.428 -2.847) 13.727 4.541 ( -6.007 2.084 -0.541) 6.382 5.615 ( 8.696 2.574 -0.142) 9.070 6.171 ( -1.806 -3.379 1.240) 4.027 6.460 ( -4.108 1.119 0.827) 4.337 8.453 ( -0.461 -1.152 0.018) 1.241 8.893 ( 1.875 0.082 0.083) 1.879 8.951 ( -2.635 -4.532 -0.127) 5.244 ======================= Grid point 831 (324/580) ======================= q-point: ( 0.67 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( 6.893 0.209 -0.033) 6.896 3.966 ( 1.202 6.919 -1.756) 7.239 4.498 ( 0.110 2.192 -0.401) 2.231 5.797 ( 9.236 2.621 -0.531) 9.616 6.102 ( -2.437 -3.561 0.854) 4.399 6.382 ( -5.722 -0.066 0.410) 5.737 8.428 ( -1.461 -0.632 0.134) 1.597 8.854 ( -3.353 -2.397 0.041) 4.122 8.948 ( 2.850 0.474 -0.102) 2.891 ======================= Grid point 832 (325/580) ======================= q-point: (-0.28 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.758 ( -1.367 0.683 0.902) 1.775 4.029 ( 2.031 1.283 -0.856) 2.550 4.592 ( 8.412 -0.262 -0.585) 8.436 5.952 ( 5.153 2.168 -1.233) 5.724 6.036 ( -0.514 -3.285 0.863) 3.435 6.278 ( -5.917 -0.206 0.129) 5.922 8.397 ( -1.694 0.105 0.206) 1.709 8.784 ( -3.336 -0.119 -0.074) 3.339 9.000 ( 2.671 0.032 -0.057) 2.672 ======================= Grid point 833 (326/580) ======================= q-point: (-0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( -2.538 3.204 1.072) 4.225 4.058 ( 2.442 -2.956 0.059) 3.834 4.705 ( 6.707 -5.429 -0.620) 8.651 5.954 ( -2.290 0.181 -0.734) 2.412 6.073 ( 3.922 -1.802 0.040) 4.316 6.202 ( -3.272 1.673 -0.071) 3.676 8.379 ( -1.032 0.940 0.197) 1.410 8.743 ( -2.282 1.720 -0.117) 2.860 9.032 ( 1.413 -0.808 -0.042) 1.628 ======================= Grid point 834 (327/580) ======================= q-point: (-0.17 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( 0.015 4.602 0.667) 4.650 4.052 ( 1.093 -4.673 0.407) 4.816 4.681 ( -0.480 -9.729 -0.373) 9.748 5.927 ( -0.967 0.312 -0.367) 1.080 6.084 ( 0.100 -3.051 -0.204) 3.059 6.212 ( 1.021 4.403 -0.126) 4.521 8.384 ( 0.053 1.588 0.116) 1.593 8.741 ( -0.454 2.824 -0.083) 2.861 9.030 ( -0.155 -1.750 -0.015) 1.757 ======================= Grid point 835 (328/580) ======================= q-point: (-0.11 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.803 ( 0.485 0.841 -0.000) 0.971 4.005 ( -2.032 -3.519 -0.000) 4.064 4.538 ( -4.168 -7.219 -0.000) 8.336 5.906 ( -1.521 -2.635 -0.000) 3.042 6.038 ( -0.989 -1.714 -0.000) 1.979 6.304 ( 3.241 5.613 -0.000) 6.481 8.409 ( 0.941 1.630 -0.000) 1.883 8.781 ( 1.696 2.938 -0.000) 3.392 8.996 ( -1.352 -2.343 -0.000) 2.705 ======================= Grid point 848 (329/580) ======================= q-point: ( 0.56 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( -0.000 3.465 -0.872) 3.573 3.882 ( -0.000 15.085 -3.724) 15.538 4.675 ( -0.000 1.584 -0.519) 1.667 5.441 ( 0.000 1.158 0.397) 1.224 6.203 ( 0.000 -2.862 1.063) 3.053 6.535 ( 0.000 1.763 1.032) 2.043 8.452 ( -0.000 -1.008 -0.120) 1.016 8.861 ( 0.000 0.050 0.104) 0.115 9.001 ( -0.000 -5.106 -0.066) 5.106 ======================= Grid point 849 (330/580) ======================= q-point: ( 0.61 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( 8.088 1.545 -1.039) 8.299 3.980 ( -1.195 8.709 -2.816) 9.231 4.648 ( -4.368 1.110 -0.044) 4.507 5.503 ( 5.902 0.920 0.360) 5.984 6.169 ( -1.112 -2.677 0.448) 2.933 6.529 ( -2.415 0.597 0.661) 2.574 8.446 ( 0.203 -0.529 -0.079) 0.572 8.869 ( 0.914 0.022 0.274) 0.955 8.951 ( -1.433 -2.429 -0.114) 2.823 ======================= Grid point 850 (331/580) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( 11.677 0.064 -0.733) 11.700 4.004 ( -0.861 1.788 -1.602) 2.551 4.566 ( -5.599 0.730 0.178) 5.649 5.647 ( 9.489 0.402 0.130) 9.499 6.118 ( -2.219 -1.642 -0.237) 2.770 6.470 ( -4.504 -0.593 0.321) 4.554 8.443 ( -0.485 0.042 0.086) 0.494 8.884 ( -0.543 -0.126 0.267) 0.618 8.917 ( 0.026 0.201 -0.175) 0.268 ======================= Grid point 851 (332/580) ======================= q-point: (-0.28 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( 7.700 0.489 0.347) 7.723 3.989 ( 1.030 -4.066 -0.596) 4.237 4.502 ( -0.734 -1.526 -0.175) 1.702 5.811 ( 9.731 -1.370 0.032) 9.827 6.064 ( -2.918 0.165 -0.949) 3.073 6.375 ( -5.539 -0.788 0.089) 5.595 8.430 ( -1.402 0.772 0.261) 1.622 8.852 ( -3.366 2.138 -0.081) 3.988 8.950 ( 2.728 -0.241 -0.009) 2.739 ======================= Grid point 852 (333/580) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( 0.505 3.308 1.651) 3.731 3.961 ( 2.649 -7.530 0.117) 7.983 4.511 ( 6.066 -7.296 -0.807) 9.523 5.926 ( 6.085 -4.210 0.368) 7.409 6.029 ( -1.653 2.342 -1.746) 3.356 6.284 ( -4.519 0.722 -0.099) 4.577 8.416 ( -1.607 1.597 0.330) 2.289 8.821 ( -3.600 3.996 -0.193) 5.382 8.989 ( 2.356 -1.141 -0.033) 2.618 ======================= Grid point 853 (334/580) ======================= q-point: (-0.17 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.838 ( -2.015 4.590 1.798) 5.326 3.939 ( 3.834 -8.316 0.794) 9.191 4.519 ( 5.642 -12.110 -0.746) 13.381 5.934 ( 0.396 -3.438 0.319) 3.475 6.043 ( 0.959 0.373 -1.713) 1.999 6.253 ( -1.108 3.264 -0.346) 3.464 8.413 ( -1.075 2.243 0.274) 2.502 8.809 ( -2.943 5.082 -0.211) 5.876 9.002 ( 1.073 -2.112 -0.007) 2.369 ======================= Grid point 867 (335/580) ======================= q-point: (-0.39 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( -0.000 -0.118 -1.430) 1.435 4.039 ( -0.000 2.132 -2.318) 3.149 4.698 ( 0.000 0.953 0.533) 1.092 5.456 ( 0.000 0.060 0.655) 0.658 6.158 ( -0.000 -1.440 -0.345) 1.480 6.551 ( 0.000 -0.736 0.382) 0.830 8.441 ( -0.000 0.020 -0.159) 0.160 8.864 ( 0.000 0.130 0.479) 0.496 8.951 ( -0.000 0.037 -0.101) 0.107 ======================= Grid point 868 (336/580) ======================= q-point: (-0.33 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( 8.287 -1.711 -1.464) 8.588 4.007 ( -1.267 -4.888 -1.465) 5.257 4.668 ( -4.531 0.662 0.974) 4.682 5.509 ( 5.997 -0.645 0.627) 6.064 6.139 ( -1.198 -0.008 -1.078) 1.611 6.517 ( -2.343 -1.952 0.125) 3.052 8.446 ( 0.261 0.576 -0.080) 0.637 8.874 ( 0.804 0.229 0.507) 0.977 8.951 ( -1.430 2.440 -0.126) 2.831 ======================= Grid point 869 (337/580) ======================= q-point: (-0.28 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 13.077 -2.474 -0.995) 13.346 3.910 ( -0.247 -10.549 -0.509) 10.564 4.572 ( -6.799 -0.625 1.026) 6.904 5.630 ( 8.973 -2.174 0.502) 9.246 6.112 ( -2.103 1.270 -1.687) 2.980 6.442 ( -3.873 -2.182 -0.039) 4.445 8.456 ( -0.299 1.217 0.135) 1.260 8.897 ( 1.428 0.283 0.345) 1.496 8.950 ( -2.492 4.282 -0.201) 4.958 ======================= Grid point 870 (338/580) ======================= q-point: (-0.22 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( 10.881 -3.226 -0.204) 11.351 3.814 ( 4.074 -12.196 0.630) 12.874 4.444 ( -5.389 -4.238 0.502) 6.874 5.753 ( 8.568 -4.219 0.474) 9.562 6.085 ( -2.314 2.101 -2.129) 3.782 6.356 ( -3.937 -0.976 -0.164) 4.060 8.460 ( -1.134 1.967 0.317) 2.293 8.923 ( -0.051 2.018 0.092) 2.021 8.952 ( -1.654 3.511 -0.218) 3.887 ======================= Grid point 871 (339/580) ======================= q-point: (-0.17 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( 5.767 -14.899 0.927) 16.003 3.908 ( 5.560 1.188 1.625) 5.913 4.324 ( 0.258 -9.782 -0.364) 9.792 5.826 ( 5.495 -6.069 0.584) 8.208 6.067 ( -1.510 2.369 -2.387) 3.686 6.302 ( -2.080 1.224 -0.389) 2.444 8.460 ( -1.450 2.591 0.342) 2.989 8.932 ( -3.402 6.184 -0.177) 7.060 8.960 ( 0.666 -0.594 -0.047) 0.894 ======================= Grid point 886 (340/580) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( -0.000 -3.681 -1.868) 4.128 3.932 ( -0.000 -11.745 -1.225) 11.809 4.717 ( 0.000 0.111 1.589) 1.593 5.451 ( 0.000 -1.029 0.865) 1.344 6.150 ( -0.000 0.902 -1.675) 1.902 6.512 ( -0.000 -3.031 -0.045) 3.032 8.451 ( -0.000 1.053 -0.165) 1.066 8.871 ( 0.000 0.239 0.639) 0.683 9.001 ( -0.000 5.051 -0.109) 5.052 ======================= Grid point 887 (341/580) ======================= q-point: (-0.28 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 9.024 -5.288 -1.816) 10.616 3.780 ( -0.409 -16.998 -0.780) 17.021 4.674 ( -4.860 -1.451 1.861) 5.403 5.487 ( 5.231 -1.975 0.843) 5.655 6.146 ( -0.993 1.043 -2.051) 2.506 6.464 ( -1.886 -2.977 -0.118) 3.526 8.467 ( 0.406 1.520 -0.064) 1.575 8.880 ( 0.608 -0.024 0.552) 0.822 9.047 ( -1.727 7.390 -0.156) 7.591 ======================= Grid point 888 (342/580) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.429 ( 14.794 -6.726 -1.506) 16.320 3.605 ( 2.084 -19.629 0.040) 19.740 4.541 ( -8.026 -3.876 1.758) 9.084 5.575 ( 7.584 -3.529 0.706) 8.395 6.126 ( -1.493 0.645 -2.229) 2.759 6.399 ( -2.807 -1.595 -0.149) 3.232 8.490 ( 0.050 2.062 0.146) 2.068 8.893 ( 1.225 -0.715 0.319) 1.454 9.084 ( -3.471 9.173 -0.227) 9.811 ======================= Grid point 889 (343/580) ======================= q-point: (-0.17 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 5.580 -20.455 0.201) 21.203 3.657 ( 16.661 -8.224 -0.103) 18.581 4.353 ( -8.321 -5.484 1.458) 10.072 5.662 ( 6.981 -5.285 0.592) 8.776 6.099 ( -1.222 0.260 -2.279) 2.599 6.347 ( -2.407 0.519 -0.284) 2.478 8.507 ( -0.770 2.587 0.277) 2.714 8.906 ( 1.533 -1.677 0.143) 2.276 9.107 ( -4.967 10.172 -0.259) 11.323 ======================= Grid point 905 (344/580) ======================= q-point: (-0.28 -0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( -0.000 -7.621 -2.147) 7.918 3.587 ( -0.000 -22.040 -0.984) 22.062 4.696 ( 0.000 -4.304 2.197) 4.833 5.425 ( 0.000 -2.063 1.017) 2.300 6.153 ( -0.000 -0.084 -2.168) 2.170 6.453 ( -0.000 -2.266 -0.090) 2.267 8.478 ( -0.000 1.766 -0.134) 1.771 8.877 ( 0.000 -0.119 0.594) 0.606 9.147 ( -0.000 9.764 -0.166) 9.766 ======================= Grid point 906 (345/580) ======================= q-point: (-0.22 -0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 9.745 -9.596 -2.066) 13.832 3.358 ( 1.080 -24.818 -0.798) 24.854 4.601 ( -4.500 -8.072 2.145) 9.488 5.443 ( 4.263 -2.924 0.969) 5.259 6.133 ( -0.576 -1.560 -2.098) 2.677 6.426 ( -1.566 -0.218 -0.026) 1.581 8.502 ( 0.626 2.008 -0.035) 2.103 8.877 ( 0.209 -0.558 0.441) 0.742 9.234 ( -2.077 11.481 -0.206) 11.669 ======================= Grid point 907 (346/580) ======================= q-point: (-0.17 -0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 4.666 -24.583 -0.782) 25.034 3.265 ( 16.049 -12.525 -0.997) 20.382 4.415 ( -6.435 -10.652 1.905) 12.590 5.503 ( 6.104 -4.264 0.786) 7.487 6.096 ( -0.456 -2.714 -1.939) 3.367 6.399 ( -2.487 2.157 -0.070) 3.293 8.534 ( 0.477 2.288 0.118) 2.340 8.875 ( 0.490 -1.332 0.238) 1.439 9.297 ( -4.232 12.358 -0.224) 13.064 ======================= Grid point 924 (347/580) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -0.000 -12.073 -2.260) 12.282 3.084 ( -0.000 -28.023 -1.336) 28.055 4.537 ( 0.000 -13.895 2.049) 14.046 5.382 ( 0.000 -2.968 1.092) 3.162 6.105 ( -0.000 -3.856 -1.824) 4.266 6.450 ( 0.000 2.502 0.143) 2.506 8.515 ( -0.000 1.922 -0.079) 1.924 8.872 ( 0.000 -0.697 0.395) 0.802 9.372 ( -0.000 13.046 -0.215) 13.047 ======================= Grid point 925 (348/580) ======================= q-point: (-0.17 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 2.433 -27.920 -1.516) 28.067 2.890 ( 10.615 -15.413 -1.804) 18.802 4.354 ( -2.639 -18.496 1.769) 18.767 5.384 ( 3.422 -3.651 0.999) 5.102 6.052 ( 0.063 -5.656 -1.537) 5.861 6.473 ( -1.823 5.111 0.218) 5.431 8.541 ( 0.881 1.866 -0.005) 2.063 8.862 ( -0.197 -1.172 0.250) 1.215 9.483 ( -2.470 13.736 -0.217) 13.958 ======================= Grid point 943 (349/580) ======================= q-point: (-0.17 -0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -0.000 -30.762 -1.914) 30.822 2.630 ( -0.000 -16.851 -2.218) 16.996 4.162 ( 0.000 -25.178 1.498) 25.223 5.323 ( 0.000 -3.637 1.065) 3.790 5.979 ( -0.000 -8.025 -1.210) 8.115 6.554 ( 0.000 7.637 0.422) 7.649 8.549 ( -0.000 1.488 -0.025) 1.488 8.853 ( 0.000 -1.341 0.173) 1.353 9.642 ( -0.000 14.209 -0.225) 14.211 ======================= Grid point 1040 (350/580) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 0.000 -0.000 12.077) 12.077 0.328 ( 0.000 -0.000 12.077) 12.077 0.477 ( 0.000 -0.000 16.991) 16.991 5.042 ( -0.000 0.000 -0.861) 0.861 5.042 ( -0.000 0.000 -0.861) 0.861 7.259 ( -0.000 0.000 -0.874) 0.874 8.556 ( 0.000 -0.000 0.076) 0.076 8.556 ( 0.000 -0.000 0.076) 0.076 10.572 ( 0.000 -0.000 0.037) 0.037 ======================= Grid point 1041 (351/580) ======================= q-point: ( 0.22 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 5.990 3.458 12.023) 13.871 0.690 ( 23.149 13.365 5.503) 27.291 1.090 ( 39.972 23.078 4.273) 46.353 5.061 ( 1.661 0.959 -0.820) 2.086 5.113 ( 6.302 3.638 -0.566) 7.299 7.215 ( -3.581 -2.067 -0.891) 4.230 8.561 ( 0.371 0.214 0.084) 0.436 8.636 ( 4.099 2.367 -2.508) 5.357 10.494 ( -5.298 -3.059 1.380) 6.271 ======================= Grid point 1042 (352/580) ======================= q-point: ( 0.28 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 13.926 8.040 4.367) 16.663 1.246 ( 23.961 13.834 2.979) 27.827 2.005 ( 39.191 22.627 1.478) 45.277 5.110 ( 2.770 1.599 -0.818) 3.302 5.306 ( 10.341 5.970 0.341) 11.945 7.098 ( -6.390 -3.689 -0.796) 7.421 8.571 ( 0.428 0.247 0.074) 0.500 8.705 ( 2.785 1.608 -1.669) 3.623 10.353 ( -7.507 -4.334 0.751) 8.701 ======================= Grid point 1043 (353/580) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 20.927 12.082 -0.673) 24.174 1.773 ( 21.688 12.522 2.122) 25.133 2.851 ( 34.986 20.199 -0.078) 40.398 5.178 ( 3.415 1.972 -0.840) 4.032 5.562 ( 11.588 6.690 1.253) 13.439 6.931 ( -7.930 -4.578 -0.532) 9.172 8.578 ( 0.055 0.032 0.051) 0.081 8.758 ( 2.269 1.310 -0.989) 2.800 10.156 ( -9.948 -5.744 0.244) 11.490 ======================= Grid point 1044 (354/580) ======================= q-point: ( 0.39 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 24.723 14.274 -2.656) 28.670 2.232 ( 18.286 10.558 1.796) 21.191 3.574 ( 28.732 16.588 -1.267) 33.201 5.256 ( 3.561 2.056 -0.860) 4.201 5.820 ( 10.468 6.043 1.977) 12.247 6.749 ( -7.743 -4.471 -0.079) 8.941 8.571 ( -0.646 -0.373 0.025) 0.746 8.802 ( 1.771 1.023 -0.677) 2.154 9.909 ( -11.729 -6.772 0.043) 13.544 ======================= Grid point 1045 (355/580) ======================= q-point: ( 0.44 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 25.644 14.806 -2.902) 29.753 2.607 ( 14.338 8.278 1.708) 16.643 4.131 ( 20.576 11.879 -2.165) 23.857 5.332 ( 3.274 1.890 -0.864) 3.877 6.034 ( 7.643 4.413 2.438) 9.156 6.596 ( -5.408 -3.122 0.479) 6.263 8.548 ( -1.369 -0.790 0.016) 1.581 8.834 ( 1.255 0.724 -0.584) 1.562 9.635 ( -12.258 -7.077 0.052) 14.155 ======================= Grid point 1046 (356/580) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 24.142 13.938 -2.169) 27.961 2.890 ( 10.259 5.923 1.730) 11.971 4.487 ( 11.515 6.648 -2.570) 13.542 5.397 ( 2.673 1.543 -0.852) 3.201 6.171 ( 3.651 2.108 2.602) 4.954 6.519 ( -1.403 -0.810 0.831) 1.820 8.512 ( -1.764 -1.019 0.038) 2.038 8.856 ( 0.825 0.476 -0.582) 1.116 9.367 ( -11.121 -6.421 0.116) 12.842 ======================= Grid point 1047 (357/580) ======================= q-point: ( 0.56 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 6.400 3.695 1.787) 7.603 3.352 ( 20.201 11.663 -0.747) 23.338 4.654 ( 4.511 2.605 -2.332) 5.707 5.446 ( 1.881 1.086 -0.835) 2.326 6.212 ( -0.505 -0.292 2.527) 2.593 6.529 ( 1.621 0.936 0.553) 1.951 8.473 ( -1.616 -0.933 0.094) 1.868 8.870 ( 0.545 0.315 -0.576) 0.853 9.145 ( -8.310 -4.798 0.097) 9.596 ======================= Grid point 1048 (358/580) ======================= q-point: ( 0.61 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 2.958 1.708 1.843) 3.882 3.737 ( 13.176 7.607 1.192) 15.261 4.709 ( 1.530 0.883 -1.773) 2.503 5.477 ( 0.993 0.573 -0.826) 1.413 6.177 ( -2.722 -1.571 2.122) 3.792 6.570 ( 1.393 0.804 -0.191) 1.620 8.443 ( -0.944 -0.545 0.165) 1.103 8.879 ( 0.389 0.225 -0.530) 0.695 9.000 ( -4.386 -2.532 -0.002) 5.064 ======================= Grid point 1049 (359/580) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( -0.137 -0.079 1.896) 1.903 3.928 ( 2.547 1.471 3.108) 4.279 4.733 ( 1.120 0.647 -1.229) 1.784 5.486 ( 0.069 0.040 -0.836) 0.840 6.126 ( -1.693 -0.978 1.319) 2.358 6.576 ( -0.884 -0.510 -0.850) 1.328 8.433 ( 0.023 0.013 0.215) 0.216 8.884 ( 0.237 0.137 -0.502) 0.571 8.949 ( -0.023 -0.013 -0.022) 0.034 ======================= Grid point 1050 (360/580) ======================= q-point: (-0.28 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( -3.211 -1.854 1.959) 4.193 3.858 ( -9.413 -5.435 4.029) 11.592 4.751 ( 0.471 0.272 -0.832) 0.994 5.475 ( -0.860 -0.496 -0.871) 1.320 6.116 ( 0.406 0.234 0.705) 0.846 6.527 ( -2.862 -1.652 -1.148) 3.498 8.445 ( 0.966 0.558 0.213) 1.135 8.887 ( 0.089 0.051 -0.424) 0.437 8.998 ( 4.337 2.504 0.034) 5.008 ======================= Grid point 1051 (361/580) ======================= q-point: (-0.22 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -6.611 -3.817 2.035) 7.900 3.545 ( -18.593 -10.735 3.782) 21.800 4.723 ( -3.521 -2.033 -0.892) 4.162 5.443 ( -1.757 -1.014 -0.928) 2.231 6.127 ( -0.179 -0.103 0.697) 0.727 6.461 ( -2.113 -1.220 -1.030) 2.649 8.476 ( 1.584 0.915 0.161) 1.837 8.885 ( -0.214 -0.124 -0.297) 0.386 9.144 ( 8.399 4.849 0.123) 9.699 ======================= Grid point 1052 (362/580) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( -10.462 -6.040 2.119) 12.265 3.066 ( -24.055 -13.888 2.920) 27.930 4.551 ( -12.026 -6.943 -1.288) 13.946 5.391 ( -2.557 -1.476 -1.000) 3.117 6.093 ( -3.311 -1.912 0.983) 3.947 6.454 ( 2.117 1.222 -0.674) 2.536 8.514 ( 1.691 0.976 0.087) 1.955 8.874 ( -0.654 -0.377 -0.203) 0.782 9.370 ( 11.284 6.515 0.213) 13.032 ======================= Grid point 1059 (363/580) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 7.818 11.491) 13.898 0.770 ( 0.000 26.949 6.184) 27.649 1.058 ( 0.000 44.997 4.128) 45.186 5.046 ( -0.000 1.341 -1.067) 1.713 5.122 ( -0.000 7.865 -0.464) 7.878 7.212 ( -0.000 -4.203 -0.938) 4.307 8.561 ( 0.000 0.391 0.080) 0.399 8.630 ( -0.000 4.740 -2.203) 5.227 10.498 ( 0.000 -6.057 1.229) 6.181 ======================= Grid point 1060 (364/580) ======================= q-point: ( 0.28 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 4.953 12.526 6.453) 14.936 1.161 ( 11.753 26.889 3.857) 29.598 1.738 ( 24.220 37.687 1.901) 44.838 5.082 ( 2.209 1.979 -1.024) 3.138 5.253 ( 4.939 10.040 0.154) 11.190 7.130 ( -3.269 -5.891 -0.887) 6.795 8.570 ( 0.423 0.618 0.075) 0.753 8.681 ( 1.635 3.046 -1.811) 3.903 10.400 ( -4.039 -6.864 0.897) 8.015 ======================= Grid point 1061 (365/580) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 12.270 17.280 1.086) 21.221 1.657 ( 14.831 24.346 2.611) 28.627 2.531 ( 28.956 28.951 0.299) 40.948 5.147 ( 2.932 2.832 -0.990) 4.195 5.472 ( 8.455 10.056 1.010) 13.177 6.988 ( -5.594 -6.904 -0.698) 8.913 8.583 ( 0.096 0.867 0.057) 0.874 8.731 ( 1.961 1.749 -1.143) 2.866 10.235 ( -7.006 -7.938 0.395) 10.595 ======================= Grid point 1062 (366/580) ======================= q-point: ( 0.39 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 18.393 19.434 -1.715) 26.813 2.133 ( 13.390 21.871 2.080) 25.728 3.263 ( 27.831 21.210 -0.927) 35.004 5.227 ( 3.016 3.585 -0.988) 4.788 5.724 ( 9.420 8.575 1.764) 12.860 6.812 ( -6.446 -7.027 -0.345) 9.542 8.587 ( -0.728 0.784 0.030) 1.070 8.776 ( 2.013 0.948 -0.729) 2.342 10.013 ( -9.361 -8.887 0.117) 12.908 ======================= Grid point 1063 (367/580) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 21.785 19.353 -2.434) 29.242 2.543 ( 10.233 19.281 1.873) 21.908 3.869 ( 23.306 13.687 -1.851) 27.091 5.311 ( 2.607 4.125 -0.981) 4.977 5.955 ( 8.201 6.233 2.262) 10.546 6.644 ( -5.352 -5.972 0.134) 8.020 8.572 ( -1.611 0.340 0.004) 1.646 8.813 ( 1.726 0.576 -0.548) 1.900 9.751 ( -10.715 -9.265 0.071) 14.165 ======================= Grid point 1064 (368/580) ======================= q-point: ( 0.50 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 22.542 17.717 -1.997) 28.740 2.866 ( 6.507 16.486 1.828) 17.818 4.300 ( 16.440 6.299 -2.361) 17.763 5.388 ( 1.807 4.483 -0.954) 4.927 6.126 ( 5.340 3.393 2.459) 6.788 6.530 ( -2.239 -3.742 0.547) 4.395 8.540 ( -2.165 -0.161 -0.005) 2.171 8.842 ( 1.210 0.519 -0.494) 1.406 9.479 ( -10.620 -8.782 0.135) 13.781 ======================= Grid point 1065 (369/580) ======================= q-point: ( 0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 4.690 13.392 1.138) 14.235 3.130 ( 19.011 15.012 -0.166) 24.224 4.541 ( 9.394 0.314 -2.287) 9.674 5.453 ( 0.740 4.728 -0.907) 4.871 6.210 ( 1.487 0.378 2.409) 2.856 6.501 ( 1.405 -1.487 0.524) 2.112 8.500 ( -2.182 -0.392 0.018) 2.217 8.862 ( 0.686 0.615 -0.479) 1.038 9.232 ( -8.820 -7.338 0.154) 11.475 ======================= Grid point 1066 (370/580) ======================= q-point: ( 0.61 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( -0.345 10.774 1.732) 10.918 3.574 ( 16.356 10.634 0.841) 19.527 4.638 ( 5.008 -2.756 -1.803) 5.994 5.500 ( -0.491 4.918 -0.846) 5.014 6.204 ( -1.732 -1.926 2.193) 3.394 6.531 ( 2.787 -0.971 -0.056) 2.952 8.463 ( -1.656 -0.233 0.069) 1.674 8.876 ( 0.295 0.730 -0.454) 0.909 9.047 ( -5.546 -5.148 0.068) 7.568 ======================= Grid point 1067 (371/580) ======================= q-point: ( 0.67 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( -3.203 8.571 1.774) 9.320 3.870 ( 8.297 4.675 2.485) 9.842 4.672 ( 3.668 -3.495 -1.312) 5.234 5.527 ( -1.855 4.968 -0.773) 5.359 6.147 ( -2.272 -2.486 1.634) 3.744 6.555 ( 1.481 -2.018 -0.681) 2.594 8.442 ( -0.758 0.222 0.118) 0.798 8.884 ( 0.014 0.738 -0.452) 0.866 8.948 ( -1.430 -2.627 0.003) 2.991 ======================= Grid point 1068 (372/580) ======================= q-point: (-0.28 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( -6.053 6.936 1.827) 9.386 3.938 ( -3.110 -2.315 3.445) 5.187 4.695 ( 3.494 -3.701 -0.981) 5.184 5.528 ( -3.225 4.460 -0.731) 5.552 6.110 ( -0.029 -1.304 1.037) 1.666 6.533 ( -0.804 -3.208 -0.982) 3.450 8.443 ( 0.246 0.784 0.133) 0.832 8.888 ( -0.135 0.597 -0.485) 0.781 8.948 ( 2.903 -0.121 0.072) 2.906 ======================= Grid point 1069 (373/580) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -9.368 5.524 1.905) 11.041 3.744 ( -14.187 -8.019 3.268) 16.621 4.700 ( 1.651 -4.934 -1.030) 5.304 5.501 ( -4.117 3.349 -0.796) 5.366 6.119 ( 1.098 -0.487 0.986) 1.554 6.471 ( -1.814 -3.274 -0.890) 3.847 8.466 ( 1.058 1.287 0.104) 1.669 8.888 ( -0.322 0.325 -0.376) 0.592 9.045 ( 7.246 2.147 0.110) 7.558 ======================= Grid point 1070 (374/580) ======================= q-point: (-0.17 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -13.302 3.746 2.014) 13.965 3.345 ( -21.917 -11.014 2.348) 24.641 4.616 ( -4.623 -7.938 -1.467) 9.302 5.451 ( -4.583 2.158 -0.908) 5.146 6.118 ( -1.074 -1.301 1.311) 2.137 6.428 ( 0.541 -1.548 -0.535) 1.725 8.502 ( 1.409 1.616 0.051) 2.145 8.880 ( -0.599 -0.173 -0.288) 0.687 9.232 ( 10.967 3.926 0.190) 11.650 ======================= Grid point 1078 (375/580) ======================= q-point: ( 0.28 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 16.925 4.365) 17.479 1.338 ( 0.000 27.439 3.558) 27.668 1.967 ( 0.000 44.818 1.388) 44.839 5.081 ( -0.000 2.733 -1.080) 2.938 5.326 ( 0.000 12.331 0.401) 12.338 7.089 ( -0.000 -7.586 -0.861) 7.634 8.570 ( 0.000 0.466 0.074) 0.471 8.699 ( -0.000 3.565 -1.544) 3.885 10.359 ( 0.000 -8.699 0.714) 8.728 ======================= Grid point 1079 (376/580) ======================= q-point: ( 0.33 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 4.812 21.509 0.932) 22.060 1.707 ( 10.121 26.253 2.597) 28.256 2.506 ( 12.565 38.704 0.401) 40.695 5.128 ( 2.268 3.290 -1.013) 4.122 5.485 ( 3.700 12.701 0.961) 13.264 6.981 ( -2.866 -8.591 -0.700) 9.084 8.582 ( 0.768 0.470 0.058) 0.902 8.731 ( 0.369 2.810 -1.109) 3.043 10.238 ( -3.555 -9.928 0.382) 10.552 ======================= Grid point 1080 (377/580) ======================= q-point: ( 0.39 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 10.570 24.056 -1.541) 26.321 2.166 ( 12.384 25.222 1.994) 28.169 3.103 ( 17.807 28.773 -0.670) 33.844 5.210 ( 3.240 4.072 -0.980) 5.296 5.692 ( 6.057 11.127 1.608) 12.771 6.828 ( -4.664 -8.773 -0.396) 9.943 8.599 ( 0.397 0.550 0.035) 0.679 8.760 ( 0.804 1.764 -0.751) 2.079 10.051 ( -6.443 -10.833 0.135) 12.605 ======================= Grid point 1081 (378/580) ======================= q-point: ( 0.44 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 15.397 23.962 -2.434) 28.586 2.608 ( 9.794 24.367 1.737) 26.319 3.646 ( 18.838 18.050 -1.577) 26.138 5.307 ( 3.130 5.048 -0.979) 6.020 5.904 ( 6.628 8.308 2.109) 10.835 6.662 ( -4.769 -7.881 0.016) 9.212 8.600 ( -0.890 0.308 -0.010) 0.941 8.791 ( 1.395 1.101 -0.526) 1.853 9.814 ( -8.480 -11.219 0.075) 14.064 ======================= Grid point 1082 (379/580) ======================= q-point: ( 0.50 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 18.179 21.918 -2.180) 28.559 2.975 ( 5.376 22.878 1.623) 23.557 4.071 ( 16.565 7.812 -2.099) 18.434 5.406 ( 2.313 6.015 -0.963) 6.516 6.080 ( 5.415 4.926 2.338) 7.685 6.527 ( -2.863 -5.823 0.400) 6.501 8.575 ( -1.937 -0.306 -0.076) 1.962 8.825 ( 1.449 1.075 -0.386) 1.845 9.553 ( -9.313 -10.835 0.143) 14.288 ======================= Grid point 1083 (380/580) ======================= q-point: ( 0.56 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 18.595 18.525 -1.286) 26.280 3.244 ( 0.943 20.263 1.555) 20.345 4.346 ( 12.222 -0.199 -2.035) 12.392 5.495 ( 1.078 6.854 -0.902) 6.997 6.188 ( 2.712 1.402 2.291) 3.818 6.461 ( 0.370 -3.458 0.483) 3.511 8.533 ( -2.221 -0.824 -0.124) 2.372 8.857 ( 0.950 1.376 -0.294) 1.698 9.298 ( -8.605 -9.546 0.202) 12.854 ======================= Grid point 1084 (381/580) ======================= q-point: ( 0.61 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( 7.287 15.033 -0.226) 16.708 3.435 ( 6.719 15.706 1.674) 17.165 4.486 ( 7.992 -4.188 -1.483) 9.144 5.570 ( -0.357 7.522 -0.781) 7.571 6.211 ( -0.502 -1.638 2.120) 2.725 6.464 ( 2.788 -2.512 0.039) 3.753 8.488 ( -1.805 -0.941 -0.132) 2.040 8.882 ( 0.287 1.707 -0.228) 1.746 9.086 ( -6.295 -7.471 0.158) 9.771 ======================= Grid point 1085 (382/580) ======================= q-point: ( 0.67 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( -4.626 13.275 1.012) 14.094 3.770 ( 11.203 8.445 1.710) 14.133 4.547 ( 5.345 -4.924 -0.891) 7.322 5.625 ( -1.924 7.977 -0.580) 8.226 6.163 ( -2.368 -3.266 1.718) 4.384 6.488 ( 2.943 -3.319 -0.563) 4.472 8.456 ( -0.925 -0.650 -0.116) 1.137 8.898 ( -0.321 1.837 -0.210) 1.876 8.947 ( -2.763 -4.953 0.075) 5.672 ======================= Grid point 1086 (383/580) ======================= q-point: (-0.28 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( -6.556 11.440 1.079) 13.230 3.946 ( 2.323 1.700 2.505) 3.816 4.576 ( 4.282 -5.126 -0.570) 6.704 5.653 ( -3.958 7.810 -0.343) 8.763 6.101 ( -1.095 -2.921 1.131) 3.318 6.486 ( 1.465 -4.453 -0.852) 4.765 8.445 ( 0.133 -0.096 -0.104) 0.194 8.893 ( 0.717 -1.641 -0.340) 1.822 8.911 ( -0.133 0.889 0.168) 0.914 ======================= Grid point 1087 (384/580) ======================= q-point: (-0.22 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( -9.317 10.830 1.220) 14.338 3.885 ( -8.671 -4.352 2.333) 9.979 4.587 ( 3.690 -6.506 -0.678) 7.511 5.637 ( -5.987 6.452 -0.353) 8.809 6.088 ( 1.572 -1.419 1.046) 2.362 6.448 ( -0.187 -4.644 -0.738) 4.706 8.458 ( 1.098 0.558 -0.111) 1.237 8.904 ( -0.546 1.189 -0.363) 1.357 8.946 ( 5.140 -0.113 0.241) 5.147 ======================= Grid point 1088 (385/580) ======================= q-point: (-0.17 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( -13.535 9.532 1.529) 16.625 3.599 ( -17.899 -7.241 1.292) 19.351 4.554 ( 1.016 -8.950 -1.288) 9.099 5.581 ( -6.708 4.729 -0.595) 8.229 6.110 ( 1.171 -1.061 1.534) 2.203 6.400 ( -0.063 -3.341 -0.347) 3.360 8.491 ( 1.708 1.163 -0.124) 2.070 8.896 ( -1.198 0.608 -0.229) 1.363 9.082 ( 9.680 1.556 0.197) 9.806 ======================= Grid point 1097 (386/580) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -0.000 25.117 -0.741) 25.128 1.870 ( 0.000 24.857 2.135) 24.948 2.808 ( -0.000 40.155 0.096) 40.155 5.139 ( -0.000 3.655 -0.902) 3.765 5.589 ( 0.000 13.500 1.157) 13.549 6.915 ( -0.000 -9.473 -0.544) 9.488 8.576 ( 0.000 0.062 0.057) 0.084 8.756 ( -0.000 2.937 -0.928) 3.080 10.164 ( 0.000 -11.431 0.224) 11.433 ======================= Grid point 1098 (387/580) ======================= q-point: ( 0.39 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 4.199 27.515 -2.346) 27.932 2.204 ( 10.235 23.001 1.576) 25.225 3.229 ( 5.244 34.440 -0.539) 34.841 5.196 ( 2.484 4.040 -0.797) 4.809 5.743 ( 2.393 12.459 1.541) 12.780 6.798 ( -2.460 -9.512 -0.246) 9.828 8.585 ( 1.032 -0.248 0.040) 1.062 8.777 ( -0.297 2.414 -0.714) 2.535 10.019 ( -3.206 -12.408 0.064) 12.815 ======================= Grid point 1099 (388/580) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 8.488 27.757 -3.074) 29.188 2.641 ( 13.758 21.742 1.251) 25.760 3.628 ( 7.254 24.868 -1.258) 25.935 5.292 ( 3.879 4.765 -0.773) 6.193 5.912 ( 3.658 9.917 1.942) 10.747 6.653 ( -3.714 -8.558 0.140) 9.331 8.599 ( 0.779 -0.686 0.009) 1.038 8.793 ( -0.003 1.940 -0.544) 2.015 9.818 ( -5.755 -12.791 0.022) 14.026 ======================= Grid point 1100 (389/580) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 12.091 25.840 -2.871) 28.673 3.074 ( 11.086 21.645 1.151) 24.346 3.942 ( 8.100 13.037 -1.793) 15.453 5.410 ( 3.923 5.863 -0.803) 7.100 6.063 ( 3.717 6.428 2.186) 7.740 6.518 ( -3.175 -6.552 0.490) 7.297 8.591 ( -0.663 -1.334 -0.077) 1.491 8.818 ( 0.894 1.909 -0.373) 2.141 9.581 ( -7.342 -12.428 0.098) 14.435 ======================= Grid point 1101 (390/580) ======================= q-point: ( 0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 14.171 22.320 -2.025) 26.516 3.425 ( 4.417 21.398 1.028) 21.873 4.152 ( 8.968 2.011 -1.763) 9.359 5.531 ( 2.918 7.079 -0.805) 7.699 6.168 ( 2.482 2.573 2.175) 4.185 6.430 ( -1.066 -4.253 0.591) 4.424 8.553 ( -1.673 -1.914 -0.182) 2.549 8.856 ( 1.171 2.217 -0.201) 2.515 9.335 ( -7.645 -11.213 0.193) 13.573 ======================= Grid point 1102 (391/580) ======================= q-point: ( 0.61 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 14.114 17.705 -0.867) 22.658 3.637 ( -2.263 17.653 0.634) 17.809 4.295 ( 9.200 -2.658 -0.959) 9.625 5.640 ( 1.332 8.063 -0.709) 8.203 6.205 ( 0.234 -0.955 2.006) 2.234 6.399 ( 1.322 -3.238 0.230) 3.505 8.502 ( -1.673 -2.152 -0.243) 2.737 8.895 ( 0.672 2.607 -0.069) 2.693 9.113 ( -6.454 -9.229 0.203) 11.264 ======================= Grid point 1103 (392/580) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( 7.760 12.281 -0.172) 14.529 3.726 ( -0.837 11.115 0.722) 11.169 4.411 ( 6.421 -0.930 0.005) 6.488 5.728 ( -0.375 8.556 -0.452) 8.576 6.173 ( -1.943 -3.178 1.685) 4.088 6.399 ( 2.617 -4.071 -0.405) 4.856 8.458 ( -0.922 -1.980 -0.265) 2.200 8.927 ( -0.231 2.688 -0.004) 2.698 8.946 ( -3.785 -6.629 0.140) 7.635 ======================= Grid point 1104 (393/580) ======================= q-point: ( 0.72 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( -3.892 7.871 -0.276) 8.785 3.920 ( 5.495 5.736 1.511) 8.086 4.485 ( 2.393 0.268 0.486) 2.457 5.790 ( -2.195 8.526 -0.001) 8.804 6.100 ( -2.437 -3.705 1.035) 4.554 6.398 ( 2.690 -5.300 -0.744) 5.990 8.434 ( 0.201 -1.465 -0.277) 1.504 8.854 ( -0.368 -4.283 0.029) 4.299 8.946 ( -0.936 2.744 0.065) 2.900 ======================= Grid point 1105 (394/580) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( -4.265 8.217 -0.188) 9.260 3.971 ( -3.481 -0.210 1.429) 3.769 4.497 ( -0.096 -2.100 0.420) 2.143 5.809 ( -5.416 7.534 0.251) 9.282 6.050 ( 0.580 -2.631 0.735) 2.793 6.381 ( 1.861 -5.424 -0.629) 5.769 8.435 ( 1.351 -0.733 -0.293) 1.564 8.851 ( 3.562 -1.992 0.020) 4.082 8.949 ( -1.530 2.221 0.075) 2.698 ======================= Grid point 1106 (395/580) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( -9.058 7.969 0.464) 12.073 3.817 ( -12.125 -1.624 0.152) 12.234 4.447 ( -0.288 -7.095 -0.288) 7.107 5.756 ( -7.746 5.335 -0.218) 9.408 6.069 ( 2.662 -1.130 1.510) 3.263 6.356 ( 1.004 -4.035 -0.202) 4.163 8.462 ( 2.243 0.045 -0.302) 2.263 8.924 ( 2.103 0.822 -0.176) 2.265 8.949 ( 3.575 0.383 0.308) 3.609 ======================= Grid point 1116 (396/580) ======================= q-point: ( 0.39 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -0.000 29.635 -3.404) 29.830 2.330 ( 0.000 21.008 1.120) 21.038 3.528 ( -0.000 33.080 -0.752) 33.089 5.210 ( -0.000 3.999 -0.586) 4.041 5.850 ( 0.000 12.016 1.638) 12.127 6.725 ( 0.000 -9.285 0.062) 9.285 8.571 ( 0.000 -0.694 0.034) 0.695 8.802 ( -0.000 2.167 -0.638) 2.259 9.919 ( 0.000 -13.442 -0.032) 13.442 ======================= Grid point 1117 (397/580) ======================= q-point: ( 0.44 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 3.225 30.081 -3.996) 30.516 2.621 ( 10.327 18.679 0.724) 21.356 3.831 ( 0.450 27.072 -1.138) 27.100 5.274 ( 2.891 4.188 -0.465) 5.110 5.977 ( 1.230 10.073 1.832) 10.312 6.621 ( -2.049 -8.077 0.452) 8.346 8.572 ( 0.999 -1.183 0.017) 1.548 8.816 ( -0.386 1.812 -0.551) 1.932 9.760 ( -2.819 -13.812 -0.061) 14.097 ======================= Grid point 1118 (398/580) ======================= q-point: ( 0.50 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 6.216 28.558 -3.874) 29.482 3.022 ( 15.509 16.523 0.499) 22.667 4.047 ( -1.147 18.316 -1.445) 18.408 5.384 ( 4.841 4.841 -0.475) 6.862 6.091 ( 1.566 7.036 1.989) 7.477 6.510 ( -2.856 -5.938 0.789) 6.636 8.573 ( 0.639 -1.871 -0.021) 1.977 8.828 ( 0.114 1.852 -0.437) 1.906 9.558 ( -4.934 -13.405 0.007) 14.284 ======================= Grid point 1119 (399/580) ======================= q-point: ( 0.56 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 8.755 25.246 -3.107) 26.901 3.444 ( 14.815 15.017 0.373) 21.098 4.143 ( -2.333 8.833 -1.407) 9.243 5.523 ( 5.242 5.923 -0.560) 7.929 6.172 ( 1.095 3.352 1.993) 4.050 6.421 ( -2.254 -3.635 0.888) 4.369 8.551 ( -0.717 -2.513 -0.103) 2.615 8.858 ( 1.137 2.233 -0.262) 2.519 9.338 ( -6.056 -12.166 0.114) 13.590 ======================= Grid point 1120 (400/580) ======================= q-point: ( 0.61 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( 10.176 20.659 -1.934) 23.111 3.774 ( 6.295 11.727 -0.141) 13.310 4.177 ( 2.007 3.607 -0.558) 4.165 5.667 ( 4.170 7.021 -0.606) 8.188 6.202 ( -0.079 -0.306 1.863) 1.890 6.366 ( -0.949 -2.664 0.580) 2.887 8.504 ( -1.488 -2.787 -0.176) 3.164 8.904 ( 1.409 2.643 -0.086) 2.997 9.124 ( -5.945 -10.191 0.166) 11.799 ======================= Grid point 1121 (401/580) ======================= q-point: ( 0.67 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( 9.658 15.301 -0.664) 18.106 3.847 ( -2.939 1.942 -0.928) 3.643 4.331 ( 7.065 8.488 0.742) 11.068 5.792 ( 2.187 7.435 -0.470) 7.764 6.177 ( -1.451 -2.743 1.627) 3.504 6.332 ( 0.305 -3.667 -0.073) 3.681 8.452 ( -1.228 -2.656 -0.214) 2.934 8.945 ( -4.007 -6.911 0.221) 7.992 8.952 ( 0.316 2.044 -0.052) 2.069 ======================= Grid point 1122 (402/580) ======================= q-point: ( 0.72 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.792 ( -1.646 -0.951 -1.103) 2.197 3.888 ( 6.614 8.755 0.517) 10.985 4.510 ( 1.982 9.771 1.100) 10.031 5.881 ( 0.328 6.452 0.032) 6.460 6.116 ( -2.632 -2.894 0.967) 4.030 6.303 ( 1.572 -5.266 -0.550) 5.523 8.414 ( -0.245 -2.173 -0.245) 2.200 8.826 ( -1.887 -5.284 0.084) 5.612 8.986 ( -0.219 2.845 0.087) 2.855 ======================= Grid point 1123 (403/580) ======================= q-point: (-0.22 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.777 ( 1.575 -0.522 -1.214) 2.056 4.013 ( 0.281 3.294 0.861) 3.416 4.577 ( -4.511 7.138 1.130) 8.520 5.933 ( -0.614 4.568 0.995) 4.716 6.045 ( -3.178 -1.326 -0.087) 3.444 6.284 ( 2.679 -5.478 -0.516) 6.120 8.402 ( 1.033 -1.434 -0.288) 1.790 8.782 ( 1.512 -2.998 0.082) 3.358 8.999 ( -1.297 2.348 0.098) 2.684 ======================= Grid point 1124 (404/580) ======================= q-point: (-0.17 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.824 ( 2.544 2.453 -1.537) 3.854 3.961 ( -7.472 -1.115 0.287) 7.560 4.503 ( -9.203 1.512 0.933) 9.373 5.927 ( -6.112 3.397 0.288) 6.999 6.017 ( 2.006 -0.571 0.944) 2.289 6.284 ( 2.763 -3.701 -0.113) 4.620 8.419 ( 2.214 -0.603 -0.330) 2.318 8.820 ( 5.231 -1.150 0.156) 5.358 8.988 ( -2.144 1.477 0.063) 2.605 ======================= Grid point 1135 (405/580) ======================= q-point: ( 0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -0.000 30.760 -4.644) 31.109 2.703 ( 0.000 16.512 0.305) 16.515 4.083 ( -0.000 23.807 -1.266) 23.841 5.285 ( -0.000 3.789 -0.212) 3.795 6.066 ( 0.000 8.705 1.815) 8.892 6.568 ( 0.000 -6.570 0.852) 6.625 8.549 ( 0.000 -1.467 0.000) 1.467 8.833 ( -0.000 1.332 -0.519) 1.429 9.645 ( -0.000 -14.125 -0.107) 14.125 ======================= Grid point 1136 (406/580) ======================= q-point: ( 0.50 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 2.088 29.622 -4.742) 30.072 2.943 ( 10.078 13.936 0.026) 17.198 4.264 ( -2.645 17.601 -1.366) 17.851 5.352 ( 3.461 3.820 -0.113) 5.156 6.149 ( 0.300 6.207 1.811) 6.473 6.502 ( -1.706 -4.256 1.185) 4.736 8.541 ( 0.746 -1.872 -0.015) 2.015 8.842 ( -0.056 1.161 -0.449) 1.246 9.487 ( -2.386 -13.618 -0.074) 13.825 ======================= Grid point 1137 (407/580) ======================= q-point: ( 0.56 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 3.966 26.588 -4.215) 27.211 3.292 ( 15.787 10.990 -0.093) 19.236 4.325 ( -6.009 10.853 -1.227) 12.466 5.474 ( 6.014 4.418 -0.191) 7.465 6.202 ( -0.065 2.992 1.744) 3.464 6.438 ( -2.545 -1.932 1.268) 3.438 8.530 ( 0.199 -2.356 -0.027) 2.365 8.858 ( 0.816 1.450 -0.329) 1.696 9.304 ( -4.071 -12.269 0.009) 12.927 ======================= Grid point 1138 (408/580) ======================= q-point: ( 0.61 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 5.708 22.061 -3.113) 22.999 3.655 ( 15.066 6.594 -0.253) 16.448 4.292 ( -6.379 7.320 -0.740) 9.738 5.632 ( 6.724 5.344 -0.370) 8.597 6.212 ( -0.840 -0.352 1.635) 1.871 6.383 ( -2.782 -0.961 0.978) 3.101 8.498 ( -1.012 -2.621 -0.041) 2.810 8.898 ( 1.880 1.896 -0.172) 2.675 9.116 ( -4.839 -10.210 0.070) 11.299 ======================= Grid point 1139 (409/580) ======================= q-point: ( 0.67 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 6.698 16.516 -1.676) 17.901 3.844 ( 2.860 -1.677 -0.694) 3.387 4.340 ( 3.531 10.958 0.093) 11.513 5.792 ( 5.354 5.868 -0.505) 7.960 6.179 ( -1.510 -2.792 1.487) 3.505 6.325 ( -2.722 -1.931 0.404) 3.362 8.449 ( -1.542 -2.498 -0.050) 2.937 8.944 ( -2.930 -5.662 0.256) 6.381 8.955 ( 0.420 0.094 -0.229) 0.488 ======================= Grid point 1140 (410/580) ======================= q-point: ( 0.72 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.786 ( -2.013 -4.483 -0.292) 4.923 3.881 ( 5.529 11.049 -0.808) 12.382 4.557 ( 6.100 11.299 0.450) 12.849 5.910 ( 2.278 4.417 -0.335) 4.981 6.127 ( -1.352 -2.649 1.052) 3.155 6.257 ( -1.861 -3.674 -0.136) 4.121 8.403 ( -1.077 -2.027 -0.074) 2.296 8.817 ( -3.060 -5.271 0.060) 6.096 9.003 ( 1.198 2.163 0.010) 2.473 ======================= Grid point 1141 (411/580) ======================= q-point: ( 0.78 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( 0.429 -3.193 -0.615) 3.279 4.035 ( 2.439 5.467 0.158) 5.989 4.713 ( -0.268 8.390 0.607) 8.416 5.947 ( 0.122 -0.034 0.382) 0.403 6.099 ( -1.535 1.061 0.167) 1.873 6.203 ( 0.450 -4.056 -0.324) 4.094 8.377 ( 0.062 -1.294 -0.128) 1.302 8.744 ( -0.570 -2.972 0.050) 3.027 9.032 ( -0.097 1.682 0.049) 1.686 ======================= Grid point 1142 (412/580) ======================= q-point: (-0.17 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( 4.472 -0.729 -1.094) 4.662 4.058 ( -3.613 0.955 0.074) 3.738 4.699 ( -8.239 3.229 0.685) 8.876 5.948 ( 1.190 -1.621 0.774) 2.155 6.074 ( -3.772 2.257 -0.051) 4.396 6.201 ( 3.025 -2.121 -0.049) 3.695 8.381 ( 1.399 -0.459 -0.205) 1.487 8.742 ( 2.581 -1.116 0.111) 2.814 9.032 ( -1.410 0.835 0.049) 1.640 ======================= Grid point 1154 (413/580) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -0.000 28.974 -5.081) 29.416 2.981 ( -0.000 11.837 -0.390) 11.844 4.441 ( -0.000 13.445 -1.307) 13.508 5.354 ( 0.000 3.148 0.148) 3.152 6.204 ( 0.000 4.195 1.646) 4.506 6.490 ( 0.000 -1.956 1.500) 2.465 8.516 ( -0.000 -1.884 -0.049) 1.885 8.850 ( -0.000 0.671 -0.379) 0.771 9.376 ( -0.000 -12.964 -0.096) 12.964 ======================= Grid point 1155 (414/580) ======================= q-point: ( 0.56 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 8.962 9.661 -0.931) 13.210 3.247 ( 1.423 25.967 -4.501) 26.393 4.509 ( -4.184 8.495 -1.081) 9.530 5.420 ( 4.168 3.094 0.195) 5.194 6.234 ( -0.375 1.493 1.474) 2.131 6.471 ( -1.706 0.118 1.541) 2.302 8.502 ( 0.466 -1.991 -0.052) 2.046 8.857 ( 0.416 0.655 -0.266) 0.821 9.238 ( -1.969 -11.457 -0.060) 11.625 ======================= Grid point 1156 (415/580) ======================= q-point: ( 0.61 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 11.559 8.857 -1.803) 14.674 3.508 ( 4.688 19.093 -2.737) 19.849 4.472 ( -7.005 5.153 -0.733) 8.727 5.553 ( 7.268 3.665 0.004) 8.140 6.226 ( -1.127 -1.273 1.311) 2.146 6.440 ( -3.198 0.883 1.240) 3.542 8.486 ( -0.200 -2.046 0.006) 2.056 8.881 ( 1.585 0.957 -0.154) 1.858 9.090 ( -3.333 -9.267 -0.022) 9.848 ======================= Grid point 1157 (416/580) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( 6.942 8.399 -1.595) 11.012 3.752 ( 6.652 9.184 -1.378) 11.424 4.419 ( -3.036 5.574 -0.490) 6.366 5.725 ( 7.983 4.320 -0.325) 9.083 6.181 ( -1.786 -3.404 1.136) 4.009 6.383 ( -4.492 0.076 0.765) 4.557 8.453 ( -1.303 -1.860 0.084) 2.272 8.926 ( 1.870 0.123 0.104) 1.877 8.950 ( -3.202 -5.628 -0.197) 6.478 ======================= Grid point 1158 (417/580) ======================= q-point: ( 0.72 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.777 ( 0.011 -1.973 0.483) 2.031 3.908 ( 3.202 10.005 -1.688) 10.639 4.524 ( 7.317 6.840 -0.443) 10.026 5.886 ( 5.489 4.042 -0.664) 6.849 6.117 ( -1.212 -4.051 0.943) 4.332 6.295 ( -5.086 -1.328 0.345) 5.268 8.411 ( -1.673 -1.372 0.121) 2.167 8.827 ( -3.624 -4.258 0.008) 5.591 8.987 ( 2.526 1.244 -0.084) 2.817 ======================= Grid point 1159 (418/580) ======================= q-point: ( 0.78 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.721 ( -2.630 -1.441 0.425) 3.029 4.038 ( 3.151 4.877 -0.479) 5.826 4.717 ( 7.103 4.101 -0.298) 8.208 5.951 ( -0.424 0.327 -0.496) 0.729 6.098 ( 1.889 -0.909 0.428) 2.140 6.201 ( -3.614 -1.643 0.077) 3.971 8.376 ( -1.077 -0.637 0.089) 1.255 8.745 ( -2.310 -1.957 -0.029) 3.028 9.032 ( 1.475 0.768 -0.034) 1.663 ======================= Grid point 1160 (419/580) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( 0.566 0.980 -0.000) 1.131 4.095 ( 0.269 0.466 -0.000) 0.538 4.794 ( -0.587 -1.016 -0.000) 1.174 5.928 ( -0.532 -0.921 -0.000) 1.064 6.117 ( -0.019 -0.033 -0.000) 0.038 6.163 ( 0.122 0.211 -0.000) 0.244 8.366 ( 0.113 0.196 -0.000) 0.226 8.714 ( -0.057 -0.099 -0.000) 0.114 9.048 ( -0.040 -0.070 -0.000) 0.080 ======================= Grid point 1174 (420/580) ======================= q-point: ( 0.56 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( -0.000 7.392 -0.999) 7.459 3.476 ( -0.000 24.220 -4.919) 24.714 4.612 ( -0.000 5.345 -0.773) 5.401 5.409 ( 0.000 2.232 0.455) 2.278 6.247 ( 0.000 -0.533 1.204) 1.317 6.500 ( 0.000 1.588 1.536) 2.209 8.479 ( -0.000 -1.726 -0.113) 1.730 8.857 ( -0.000 0.314 -0.103) 0.331 9.149 ( -0.000 -9.792 -0.073) 9.792 ======================= Grid point 1175 (421/580) ======================= q-point: ( 0.61 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( 8.604 5.071 -1.176) 10.056 3.680 ( -0.064 19.916 -4.293) 20.374 4.611 ( -4.490 3.026 -0.399) 5.429 5.474 ( 4.981 2.147 0.426) 5.441 6.229 ( -0.800 -2.417 0.914) 2.705 6.504 ( -2.109 1.808 1.255) 3.048 8.466 ( 0.300 -1.483 -0.086) 1.516 8.866 ( 0.785 0.356 0.041) 0.863 9.049 ( -1.658 -7.486 -0.066) 7.668 ======================= Grid point 1176 (422/580) ======================= q-point: ( 0.67 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( 12.377 2.516 -0.934) 12.665 3.838 ( 0.388 13.891 -3.094) 14.236 4.538 ( -6.073 2.248 -0.208) 6.480 5.615 ( 8.470 2.558 0.097) 8.848 6.179 ( -1.724 -3.647 0.582) 4.076 6.468 ( -4.204 0.906 0.869) 4.387 8.454 ( -0.404 -1.137 0.061) 1.208 8.894 ( 1.914 0.260 0.150) 1.937 8.950 ( -2.717 -4.651 -0.152) 5.389 ======================= Grid point 1177 (423/580) ======================= q-point: ( 0.72 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( 7.378 0.405 0.104) 7.390 3.951 ( 1.429 7.367 -1.946) 7.752 4.494 ( -0.058 2.250 -0.499) 2.305 5.793 ( 8.958 2.630 -0.381) 9.344 6.107 ( -2.249 -3.947 0.293) 4.552 6.386 ( -5.812 -0.223 0.547) 5.842 8.429 ( -1.439 -0.598 0.214) 1.573 8.855 ( -3.411 -2.444 0.013) 4.197 8.947 ( 2.871 0.524 -0.101) 2.920 ======================= Grid point 1178 (424/580) ======================= q-point: (-0.22 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.767 ( -1.305 0.941 1.161) 1.984 4.021 ( 2.332 1.698 -0.986) 3.049 4.585 ( 8.430 -0.326 -0.885) 8.482 5.942 ( 4.626 2.094 -1.161) 5.209 6.042 ( 0.040 -3.582 0.519) 3.619 6.280 ( -5.996 -0.316 0.312) 6.012 8.399 ( -1.723 0.148 0.266) 1.749 8.783 ( -3.343 -0.163 -0.087) 3.348 8.999 ( 2.676 0.044 -0.081) 2.678 ======================= Grid point 1193 (425/580) ======================= q-point: ( 0.61 0.61 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( -0.000 3.419 -1.519) 3.741 3.848 ( -0.000 15.697 -4.185) 16.245 4.673 ( 0.000 1.823 0.040) 1.824 5.446 ( 0.000 1.178 0.696) 1.368 6.210 ( 0.000 -3.146 0.453) 3.178 6.544 ( 0.000 1.492 1.055) 1.827 8.450 ( -0.000 -1.015 -0.177) 1.030 8.862 ( 0.000 0.181 0.287) 0.339 9.001 ( -0.000 -5.121 -0.077) 5.122 ======================= Grid point 1194 (426/580) ======================= q-point: ( 0.67 0.61 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.356 ( 8.250 1.519 -1.537) 8.529 3.953 ( -0.941 9.412 -3.359) 10.038 4.649 ( -4.438 1.369 0.355) 4.658 5.507 ( 5.729 0.943 0.593) 5.836 6.170 ( -1.078 -3.100 -0.052) 3.283 6.535 ( -2.447 0.334 0.772) 2.588 8.446 ( 0.276 -0.526 -0.108) 0.604 8.872 ( 0.871 0.135 0.413) 0.973 8.950 ( -1.464 -2.458 -0.124) 2.863 ======================= Grid point 1195 (427/580) ======================= q-point: (-0.28 -0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( 12.110 0.073 -0.978) 12.149 3.988 ( -0.544 2.441 -2.171) 3.312 4.568 ( -5.852 0.986 0.312) 5.943 5.648 ( 9.259 0.502 0.220) 9.275 6.115 ( -2.144 -2.178 -0.527) 3.102 6.474 ( -4.536 -0.812 0.534) 4.639 8.443 ( -0.388 0.057 0.109) 0.407 8.887 ( -0.835 -0.173 0.352) 0.922 8.915 ( 0.197 0.278 -0.219) 0.405 ======================= Grid point 1196 (428/580) ======================= q-point: (-0.22 -0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( 8.459 0.490 0.288) 8.478 3.982 ( 1.214 -3.480 -1.090) 3.844 4.500 ( -1.214 -1.311 -0.317) 1.815 5.810 ( 9.528 -1.070 -0.143) 9.589 6.057 ( -2.785 -0.500 -0.837) 2.951 6.377 ( -5.572 -0.969 0.356) 5.667 8.433 ( -1.357 0.793 0.298) 1.600 8.851 ( -3.434 2.103 -0.055) 4.027 8.950 ( 2.708 -0.217 -0.046) 2.717 ======================= Grid point 1212 (429/580) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( -0.000 -0.159 -1.920) 1.926 4.016 ( -0.000 2.893 -3.132) 4.264 4.704 ( 0.000 1.272 0.837) 1.523 5.462 ( 0.000 0.081 0.872) 0.876 6.154 ( -0.000 -1.933 -0.656) 2.042 6.555 ( 0.000 -1.000 0.598) 1.165 8.439 ( -0.000 0.027 -0.214) 0.216 8.868 ( 0.000 0.193 0.621) 0.650 8.951 ( -0.000 0.036 -0.109) 0.115 ======================= Grid point 1213 (430/580) ======================= q-point: (-0.28 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( 8.514 -1.747 -1.814) 8.879 3.990 ( -1.034 -4.222 -2.440) 4.984 4.677 ( -4.657 1.007 1.074) 4.884 5.515 ( 5.845 -0.591 0.749) 5.922 6.129 ( -1.182 -0.492 -1.142) 1.715 6.520 ( -2.349 -2.179 0.454) 3.236 8.446 ( 0.353 0.589 -0.111) 0.695 8.878 ( 0.728 0.235 0.594) 0.968 8.950 ( -1.464 2.451 -0.147) 2.859 ======================= Grid point 1214 (431/580) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( 13.553 -2.565 -1.191) 13.845 3.901 ( 0.108 -10.001 -1.493) 10.112 4.580 ( -7.139 -0.272 0.903) 7.201 5.634 ( 8.809 -2.048 0.442) 9.054 6.099 ( -2.082 0.847 -1.428) 2.662 6.443 ( -3.888 -2.368 0.356) 4.566 8.457 ( -0.185 1.226 0.132) 1.247 8.900 ( 1.336 0.237 0.390) 1.412 8.948 ( -2.552 4.313 -0.248) 5.017 ======================= Grid point 1231 (432/580) ======================= q-point: (-0.28 -0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( -0.000 -3.710 -2.161) 4.293 3.916 ( -0.000 -11.173 -2.491) 11.448 4.731 ( 0.000 0.447 1.502) 1.567 5.459 ( 0.000 -1.007 0.987) 1.410 6.136 ( -0.000 0.533 -1.505) 1.597 6.514 ( 0.000 -3.223 0.406) 3.248 8.449 ( -0.000 1.075 -0.207) 1.095 8.877 ( 0.000 0.224 0.666) 0.702 9.000 ( -0.000 5.040 -0.113) 5.041 ======================= Grid point 1232 (433/580) ======================= q-point: (-0.22 -0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( 9.243 -5.329 -1.984) 10.852 3.768 ( -0.154 -16.548 -2.143) 16.687 4.689 ( -4.984 -1.169 1.550) 5.349 5.494 ( 5.111 -1.927 0.868) 5.530 6.130 ( -0.992 0.794 -1.621) 2.059 6.465 ( -1.898 -3.122 0.404) 3.676 8.466 ( 0.496 1.540 -0.089) 1.620 8.884 ( 0.523 -0.056 0.505) 0.729 9.046 ( -1.747 7.370 -0.149) 7.576 ======================= Grid point 1250 (434/580) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( -0.000 -7.636 -2.225) 7.954 3.572 ( -0.000 -21.682 -2.526) 21.828 4.712 ( 0.000 -4.133 1.668) 4.457 5.434 ( 0.000 -2.040 1.034) 2.287 6.137 ( -0.000 -0.194 -1.551) 1.563 6.454 ( 0.000 -2.366 0.499) 2.418 8.477 ( -0.000 1.798 -0.157) 1.804 8.881 ( 0.000 -0.173 0.483) 0.513 9.145 ( -0.000 9.735 -0.158) 9.736 ======================= Grid point 1385 (435/580) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 0.000 -0.000 11.044) 11.044 0.427 ( 0.000 -0.000 11.044) 11.044 0.614 ( 0.000 -0.000 15.059) 15.059 5.033 ( -0.000 0.000 -1.044) 1.044 5.033 ( -0.000 0.000 -1.044) 1.044 7.251 ( -0.000 0.000 -0.997) 0.997 8.557 ( 0.000 -0.000 0.099) 0.099 8.557 ( 0.000 -0.000 0.099) 0.099 10.573 ( 0.000 -0.000 0.041) 0.041 ======================= Grid point 1386 (436/580) ======================= q-point: ( 0.28 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 3.701 2.137 11.735) 12.489 0.741 ( 21.372 12.339 6.348) 25.482 1.125 ( 38.235 22.075 3.991) 44.330 5.053 ( 1.689 0.975 -1.052) 2.216 5.107 ( 6.630 3.828 -0.658) 7.684 7.207 ( -3.553 -2.052 -0.979) 4.218 8.562 ( 0.367 0.212 0.098) 0.434 8.618 ( 3.831 2.212 -1.682) 4.732 10.503 ( -5.205 -3.005 0.949) 6.084 ======================= Grid point 1387 (437/580) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 11.301 6.525 5.116) 14.017 1.275 ( 23.326 13.467 3.724) 27.191 2.016 ( 38.517 22.238 1.107) 44.490 5.102 ( 2.794 1.613 -1.079) 3.402 5.309 ( 10.720 6.189 0.397) 12.384 7.090 ( -6.316 -3.647 -0.869) 7.345 8.572 ( 0.419 0.242 0.078) 0.490 8.692 ( 3.050 1.761 -1.466) 3.814 10.359 ( -7.717 -4.455 0.677) 8.936 ======================= Grid point 1388 (438/580) ======================= q-point: ( 0.39 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 19.600 11.316 0.300) 22.634 1.794 ( 21.396 12.353 2.730) 24.856 2.849 ( 34.542 19.943 -0.411) 39.888 5.170 ( 3.441 1.987 -1.103) 4.123 5.573 ( 11.884 6.861 1.340) 13.788 6.926 ( -7.791 -4.498 -0.632) 9.018 8.578 ( 0.044 0.026 0.047) 0.069 8.750 ( 2.432 1.404 -0.893) 2.947 10.158 ( -10.071 -5.815 0.265) 11.632 ======================= Grid point 1389 (439/580) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 24.273 14.014 -1.397) 28.063 2.250 ( 18.139 10.473 2.316) 21.073 3.562 ( 28.393 16.393 -1.440) 32.817 5.247 ( 3.591 2.073 -1.104) 4.291 5.837 ( 10.666 6.158 1.944) 12.469 6.747 ( -7.540 -4.353 -0.267) 8.711 8.572 ( -0.652 -0.376 0.022) 0.753 8.797 ( 1.829 1.056 -0.575) 2.189 9.910 ( -11.760 -6.789 0.103) 13.579 ======================= Grid point 1390 (440/580) ======================= q-point: ( 0.50 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 25.621 14.792 -1.327) 29.614 2.624 ( 14.263 8.235 2.162) 16.610 4.112 ( 20.352 11.750 -2.088) 23.593 5.323 ( 3.308 1.910 -1.079) 3.970 6.054 ( 7.750 4.474 2.203) 9.216 6.599 ( -5.198 -3.001 0.137) 6.004 8.548 ( -1.365 -0.788 0.024) 1.577 8.830 ( 1.252 0.723 -0.470) 1.521 9.636 ( -12.244 -7.069 0.124) 14.139 ======================= Grid point 1391 (441/580) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 24.359 14.064 -0.388) 28.130 2.907 ( 10.217 5.899 2.128) 11.988 4.466 ( 11.481 6.628 -2.262) 13.448 5.389 ( 2.707 1.563 -1.037) 3.294 6.191 ( 3.686 2.128 2.174) 4.779 6.524 ( -1.330 -0.768 0.327) 1.570 8.512 ( -1.749 -1.010 0.063) 2.020 8.852 ( 0.805 0.465 -0.474) 1.044 9.368 ( -11.120 -6.420 0.163) 12.841 ======================= Grid point 1392 (442/580) ======================= q-point: ( 0.61 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 6.370 3.678 2.134) 7.659 3.353 ( 20.597 11.892 1.005) 23.805 4.636 ( 4.637 2.677 -1.975) 5.707 5.439 ( 1.910 1.103 -0.995) 2.420 6.232 ( -0.514 -0.297 2.023) 2.108 6.532 ( 1.469 0.848 0.005) 1.696 8.474 ( -1.593 -0.920 0.133) 1.844 8.865 ( 0.536 0.310 -0.504) 0.798 9.145 ( -8.345 -4.818 0.109) 9.637 ======================= Grid point 1393 (443/580) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 2.933 1.693 2.148) 4.010 3.753 ( 13.671 7.893 2.523) 15.986 4.695 ( 1.681 0.970 -1.555) 2.487 5.469 ( 1.014 0.586 -0.967) 1.519 6.193 ( -2.874 -1.659 1.709) 3.732 6.566 ( 1.198 0.692 -0.561) 1.493 8.445 ( -0.925 -0.534 0.207) 1.088 8.874 ( 0.390 0.225 -0.539) 0.703 9.000 ( -4.417 -2.550 0.007) 5.100 ======================= Grid point 1394 (444/580) ======================= q-point: (-0.28 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -0.156 -0.090 2.165) 2.172 3.956 ( 2.885 1.666 3.552) 4.870 4.722 ( 1.257 0.726 -1.259) 1.921 5.479 ( 0.079 0.045 -0.964) 0.968 6.137 ( -1.911 -1.103 1.264) 2.543 6.568 ( -1.000 -0.578 -0.886) 1.456 8.435 ( 0.026 0.015 0.244) 0.246 8.879 ( 0.241 0.139 -0.621) 0.680 8.949 ( -0.003 -0.002 0.030) 0.030 ======================= Grid point 1395 (445/580) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( -3.220 -1.859 2.192) 4.316 3.891 ( -9.411 -5.433 3.465) 11.406 4.742 ( 0.521 0.301 -1.254) 1.391 5.467 ( -0.861 -0.497 -0.987) 1.401 6.125 ( 0.326 0.188 1.195) 1.252 6.519 ( -2.873 -1.659 -0.833) 3.421 8.447 ( 0.950 0.548 0.224) 1.119 8.882 ( 0.153 0.088 -0.589) 0.615 8.999 ( 4.353 2.513 0.084) 5.027 ======================= Grid point 1404 (446/580) ======================= q-point: ( 0.28 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 0.000 5.370 10.849) 12.105 0.821 ( 0.000 25.255 5.864) 25.927 1.095 ( 0.000 42.776 4.289) 42.991 5.037 ( -0.000 1.334 -1.084) 1.719 5.117 ( -0.000 8.268 -0.691) 8.297 7.203 ( -0.000 -4.175 -0.979) 4.289 8.561 ( 0.000 0.384 0.102) 0.397 8.615 ( -0.000 4.343 -1.452) 4.579 10.506 ( 0.000 -5.897 0.827) 5.955 ======================= Grid point 1405 (447/580) ======================= q-point: ( 0.33 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 3.672 9.756 6.394) 12.229 1.194 ( 11.365 26.060 3.986) 28.708 1.754 ( 23.671 36.940 1.732) 43.907 5.073 ( 2.221 1.989 -1.068) 3.167 5.254 ( 5.175 10.439 0.039) 11.651 7.123 ( -3.238 -5.836 -0.896) 6.734 8.571 ( 0.418 0.608 0.086) 0.743 8.667 ( 1.737 3.224 -1.471) 3.947 10.407 ( -4.132 -7.026 0.728) 8.183 ======================= Grid point 1406 (448/580) ======================= q-point: ( 0.39 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 11.121 15.676 1.551) 19.282 1.680 ( 14.641 23.924 2.906) 28.199 2.532 ( 28.518 28.583 0.042) 40.377 5.138 ( 2.926 2.862 -1.100) 4.239 5.481 ( 8.729 10.334 0.988) 13.563 6.982 ( -5.521 -6.805 -0.717) 8.792 8.584 ( 0.087 0.857 0.054) 0.864 8.722 ( 2.105 1.910 -0.993) 3.011 10.238 ( -7.112 -8.066 0.361) 10.760 ======================= Grid point 1407 (449/580) ======================= q-point: ( 0.44 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 17.954 18.747 -0.788) 25.969 2.152 ( 13.316 21.616 2.401) 25.502 3.255 ( 27.498 20.964 -1.071) 34.595 5.218 ( 3.015 3.624 -1.122) 4.846 5.739 ( 9.621 8.753 1.666) 13.113 6.809 ( -6.324 -6.881 -0.434) 9.356 8.587 ( -0.736 0.773 0.020) 1.068 8.770 ( 2.094 1.020 -0.603) 2.406 10.014 ( -9.403 -8.934 0.143) 12.971 ======================= Grid point 1408 (450/580) ======================= q-point: ( 0.50 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 21.803 19.072 -1.077) 28.988 2.560 ( 10.223 19.102 2.178) 21.774 3.853 ( 23.072 13.527 -1.764) 26.804 5.302 ( 2.616 4.167 -1.108) 5.043 5.973 ( 8.310 6.341 1.981) 10.638 6.644 ( -5.205 -5.804 -0.100) 7.796 8.572 ( -1.608 0.322 -0.003) 1.640 8.809 ( 1.741 0.602 -0.411) 1.888 9.752 ( -10.706 -9.260 0.125) 14.155 ======================= Grid point 1409 (451/580) ======================= q-point: ( 0.56 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 22.798 17.591 -0.349) 28.798 2.883 ( 6.544 16.341 2.097) 17.727 4.281 ( 16.340 6.268 -2.017) 17.617 5.380 ( 1.822 4.531 -1.061) 4.997 6.145 ( 5.368 3.447 1.978) 6.679 6.533 ( -2.148 -3.624 0.125) 4.214 8.540 ( -2.141 -0.192 0.000) 2.149 8.839 ( 1.182 0.543 -0.353) 1.348 9.480 ( -10.610 -8.766 0.180) 13.764 ======================= Grid point 1410 (452/580) ======================= q-point: ( 0.61 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 8.617 13.144 1.261) 15.767 3.137 ( 15.559 15.058 1.650) 21.715 4.524 ( 9.428 0.433 -1.814) 9.611 5.445 ( 0.752 4.789 -0.991) 4.948 6.228 ( 1.492 0.413 1.804) 2.377 6.503 ( 1.323 -1.507 -0.018) 2.006 8.500 ( -2.135 -0.439 0.036) 2.180 8.859 ( 0.638 0.661 -0.356) 0.985 9.233 ( -8.848 -7.340 0.168) 11.498 ======================= Grid point 1411 (453/580) ======================= q-point: ( 0.67 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( -0.212 10.518 1.922) 10.695 3.588 ( 16.812 10.687 2.271) 20.051 4.624 ( 5.064 -2.565 -1.402) 5.847 5.492 ( -0.494 5.010 -0.906) 5.115 6.220 ( -1.789 -1.941 1.579) 3.075 6.529 ( 2.619 -1.067 -0.500) 2.872 8.464 ( -1.595 -0.297 0.090) 1.625 8.872 ( 0.238 0.800 -0.388) 0.920 9.047 ( -5.594 -5.159 0.071) 7.611 ======================= Grid point 1412 (454/580) ======================= q-point: ( 0.72 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( -3.074 8.326 1.923) 9.081 3.895 ( 8.709 4.618 3.188) 10.360 4.662 ( 3.677 -3.305 -1.105) 5.066 5.520 ( -1.892 5.112 -0.816) 5.511 6.159 ( -2.404 -2.579 1.231) 3.734 6.549 ( 1.378 -2.075 -0.821) 2.623 8.443 ( -0.699 0.142 0.130) 0.725 8.880 ( -0.068 0.793 -0.494) 0.937 8.949 ( -1.428 -2.593 0.049) 2.961 ======================= Grid point 1413 (455/580) ======================= q-point: (-0.22 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( -5.918 6.712 1.939) 9.156 3.966 ( -2.967 -2.577 3.129) 5.024 4.686 ( 3.430 -3.566 -1.094) 5.067 5.521 ( -3.319 4.621 -0.786) 5.744 6.119 ( -0.053 -1.362 1.158) 1.789 6.525 ( -0.812 -3.195 -0.766) 3.384 8.445 ( 0.291 0.693 0.130) 0.763 8.883 ( -0.136 0.675 -0.586) 0.904 8.949 ( 2.881 -0.079 0.127) 2.885 ======================= Grid point 1423 (456/580) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 0.000 14.151 3.986) 14.701 1.366 ( 0.000 26.777 2.971) 26.941 1.979 ( 0.000 44.045 1.540) 44.072 5.072 ( -0.000 2.762 -0.920) 2.911 5.328 ( 0.000 12.770 0.184) 12.772 7.082 ( -0.000 -7.501 -0.810) 7.545 8.571 ( 0.000 0.454 0.090) 0.463 8.687 ( -0.000 3.775 -1.292) 3.990 10.365 ( 0.000 -8.889 0.570) 8.907 ======================= Grid point 1424 (457/580) ======================= q-point: ( 0.39 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 4.411 19.614 0.685) 20.115 1.728 ( 10.103 25.801 2.186) 27.795 2.510 ( 12.261 38.226 0.460) 40.147 5.120 ( 2.230 3.339 -0.853) 4.104 5.492 ( 3.867 13.045 0.776) 13.628 6.976 ( -2.838 -8.460 -0.628) 8.945 8.583 ( 0.760 0.459 0.067) 0.891 8.722 ( 0.440 2.988 -0.963) 3.170 10.241 ( -3.599 -10.083 0.304) 10.711 ======================= Grid point 1425 (458/580) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 10.409 23.069 -1.313) 25.343 2.183 ( 12.461 24.879 1.840) 27.886 3.097 ( 17.461 28.490 -0.629) 33.420 5.202 ( 3.175 4.139 -0.886) 5.291 5.705 ( 6.248 11.350 1.395) 13.031 6.825 ( -4.608 -8.589 -0.369) 9.754 8.600 ( 0.384 0.542 0.034) 0.665 8.754 ( 0.878 1.852 -0.633) 2.145 10.052 ( -6.463 -10.907 0.112) 12.679 ======================= Grid point 1426 (459/580) ======================= q-point: ( 0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 15.574 23.459 -1.637) 28.205 2.623 ( 9.897 24.096 1.732) 26.107 3.633 ( 18.580 17.871 -1.406) 25.818 5.299 ( 3.075 5.118 -0.932) 6.043 5.920 ( 6.752 8.447 1.758) 10.956 6.662 ( -4.699 -7.667 -0.079) 8.993 8.600 ( -0.908 0.289 -0.018) 0.953 8.787 ( 1.445 1.136 -0.395) 1.880 9.815 ( -8.459 -11.228 0.086) 14.059 ======================= Grid point 1427 (460/580) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 18.560 21.615 -0.940) 28.505 2.989 ( 5.471 22.630 1.681) 23.343 4.055 ( 16.456 7.764 -1.721) 18.277 5.397 ( 2.285 6.083 -0.930) 6.565 6.098 ( 5.450 5.007 1.801) 7.617 6.529 ( -2.826 -5.641 0.119) 6.310 8.575 ( -1.940 -0.351 -0.078) 1.973 8.822 ( 1.461 1.112 -0.243) 1.852 9.554 ( -9.284 -10.819 0.157) 14.257 ======================= Grid point 1428 (461/580) ======================= q-point: ( 0.61 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 19.049 18.293 0.183) 26.411 3.258 ( 1.081 19.973 1.613) 20.068 4.330 ( 12.247 -0.044 -1.512) 12.340 5.488 ( 1.073 6.933 -0.863) 7.069 6.205 ( 2.702 1.456 1.612) 3.467 6.464 ( 0.293 -3.395 0.036) 3.408 8.532 ( -2.196 -0.889 -0.113) 2.372 8.855 ( 0.927 1.437 -0.157) 1.717 9.300 ( -8.608 -9.539 0.195) 12.850 ======================= Grid point 1429 (462/580) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( 8.280 14.568 0.894) 16.781 3.451 ( 6.406 15.574 1.979) 16.956 4.475 ( 8.023 -3.864 -0.987) 8.960 5.563 ( -0.349 7.640 -0.721) 7.682 6.226 ( -0.525 -1.600 1.379) 2.177 6.463 ( 2.609 -2.571 -0.406) 3.685 8.487 ( -1.758 -1.021 -0.117) 2.036 8.880 ( 0.236 1.792 -0.126) 1.811 9.087 ( -6.334 -7.477 0.138) 9.800 ======================= Grid point 1430 (463/580) ======================= q-point: ( 0.72 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( -4.339 12.779 1.115) 13.541 3.788 ( 11.588 8.219 2.511) 14.428 4.541 ( 5.264 -4.546 -0.551) 6.977 5.620 ( -1.924 8.170 -0.495) 8.408 6.175 ( -2.457 -3.322 1.042) 4.262 6.482 ( 2.835 -3.362 -0.769) 4.465 8.455 ( -0.866 -0.745 -0.110) 1.147 8.897 ( -0.432 1.884 -0.200) 1.943 8.948 ( -2.762 -4.899 0.107) 5.625 ======================= Grid point 1431 (464/580) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( -6.261 10.973 1.098) 12.682 3.968 ( 2.509 1.291 2.486) 3.761 4.572 ( 4.074 -4.798 -0.457) 6.311 5.650 ( -4.046 8.055 -0.301) 9.019 6.109 ( -1.081 -3.006 0.869) 3.311 6.479 ( 1.468 -4.424 -0.735) 4.719 8.444 ( 0.193 -0.202 -0.114) 0.302 8.890 ( 0.450 -1.182 -0.381) 1.321 8.913 ( 0.050 0.563 0.219) 0.606 ======================= Grid point 1442 (465/580) ======================= q-point: ( 0.39 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -0.000 23.634 -1.253) 23.667 1.885 ( 0.000 24.542 1.376) 24.580 2.810 ( 0.000 39.668 0.313) 39.670 5.132 ( -0.000 3.706 -0.594) 3.753 5.597 ( 0.000 13.831 0.890) 13.859 6.911 ( -0.000 -9.295 -0.416) 9.304 8.577 ( 0.000 0.048 0.067) 0.083 8.748 ( -0.000 3.082 -0.815) 3.188 10.166 ( 0.000 -11.564 0.141) 11.565 ======================= Grid point 1443 (466/580) ======================= q-point: ( 0.44 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 4.253 26.607 -2.656) 27.075 2.215 ( 10.303 22.751 0.924) 24.992 3.225 ( 5.062 34.079 -0.273) 34.454 5.190 ( 2.419 4.103 -0.491) 4.789 5.755 ( 2.499 12.708 1.219) 13.009 6.796 ( -2.445 -9.284 -0.131) 9.601 8.586 ( 1.027 -0.260 0.048) 1.060 8.772 ( -0.262 2.493 -0.621) 2.582 10.019 ( -3.202 -12.482 0.005) 12.886 ======================= Grid point 1444 (467/580) ======================= q-point: ( 0.50 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 8.785 27.226 -2.889) 28.754 2.649 ( 13.936 21.490 0.812) 25.625 3.619 ( 7.003 24.659 -0.895) 25.650 5.287 ( 3.773 4.838 -0.529) 6.158 5.926 ( 3.776 10.078 1.512) 10.868 6.655 ( -3.701 -8.299 0.160) 9.089 8.599 ( 0.759 -0.699 0.019) 1.032 8.789 ( 0.048 1.969 -0.448) 2.020 9.818 ( -5.721 -12.808 -0.011) 14.027 ======================= Grid point 1445 (468/580) ======================= q-point: ( 0.56 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 12.592 25.476 -2.168) 28.501 3.083 ( 11.298 21.372 0.895) 24.191 3.929 ( 7.914 12.988 -1.297) 15.264 5.404 ( 3.827 5.933 -0.608) 7.086 6.079 ( 3.778 6.523 1.595) 7.705 6.522 ( -3.197 -6.317 0.346) 7.089 8.590 ( -0.704 -1.358 -0.056) 1.530 8.815 ( 0.957 1.929 -0.266) 2.170 9.582 ( -7.292 -12.416 0.070) 14.399 ======================= Grid point 1446 (469/580) ======================= q-point: ( 0.61 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 14.766 22.019 -0.963) 26.529 3.433 ( 4.540 21.056 0.913) 21.559 4.140 ( 8.998 2.176 -1.204) 9.335 5.524 ( 2.869 7.142 -0.629) 7.723 6.183 ( 2.476 2.635 1.434) 3.890 6.433 ( -1.179 -4.118 0.278) 4.292 8.551 ( -1.703 -1.943 -0.142) 2.587 8.854 ( 1.213 2.245 -0.099) 2.554 9.337 ( -7.615 -11.205 0.150) 13.549 ======================= Grid point 1447 (470/580) ======================= q-point: ( 0.67 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 14.677 17.419 0.314) 22.780 3.643 ( -2.129 17.062 0.636) 17.206 4.289 ( 9.318 -2.157 -0.511) 9.578 5.634 ( 1.342 8.143 -0.527) 8.270 6.218 ( 0.217 -0.885 1.179) 1.490 6.399 ( 1.095 -3.241 -0.146) 3.424 8.500 ( -1.684 -2.180 -0.194) 2.762 8.895 ( 0.683 2.644 0.010) 2.731 9.115 ( -6.462 -9.237 0.149) 11.274 ======================= Grid point 1448 (471/580) ======================= q-point: ( 0.72 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( 7.035 11.828 0.657) 13.778 3.733 ( 0.619 10.553 0.927) 10.612 4.412 ( 6.361 -0.322 0.236) 6.373 5.725 ( -0.309 8.705 -0.249) 8.714 6.184 ( -2.032 -3.191 0.824) 3.872 6.395 ( 2.448 -4.094 -0.619) 4.810 8.456 ( -0.921 -2.011 -0.228) 2.224 8.927 ( -0.340 2.583 -0.018) 2.605 8.947 ( -3.720 -6.487 0.160) 7.480 ======================= Grid point 1449 (472/580) ======================= q-point: ( 0.78 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.717 ( -3.559 7.227 -0.213) 8.059 3.934 ( 5.706 5.333 1.856) 8.028 4.490 ( 2.164 0.762 0.535) 2.356 5.791 ( -2.158 8.802 0.182) 9.065 6.107 ( -2.477 -3.857 0.397) 4.601 6.392 ( 2.669 -5.255 -0.683) 5.933 8.431 ( 0.208 -1.504 -0.262) 1.541 8.855 ( -0.400 -4.240 0.011) 4.259 8.947 ( -0.955 2.763 0.088) 2.924 ======================= Grid point 1461 (473/580) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -0.000 29.007 -3.811) 29.257 2.336 ( 0.000 20.849 0.294) 20.851 3.523 ( -0.000 32.714 -0.377) 32.716 5.207 ( -0.000 4.053 -0.191) 4.058 5.863 ( 0.000 12.242 1.236) 12.305 6.726 ( 0.000 -9.013 0.200) 9.015 8.571 ( 0.000 -0.709 0.035) 0.710 8.797 ( -0.000 2.217 -0.552) 2.285 9.918 ( -0.000 -13.487 -0.099) 13.487 ======================= Grid point 1462 (474/580) ======================= q-point: ( 0.50 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 3.447 29.685 -4.155) 30.172 2.624 ( 10.409 18.545 -0.006) 21.266 3.824 ( 0.368 26.790 -0.651) 26.800 5.272 ( 2.812 4.242 -0.088) 5.090 5.990 ( 1.288 10.239 1.334) 10.406 6.626 ( -2.061 -7.782 0.527) 8.068 8.572 ( 0.999 -1.197 0.022) 1.560 8.811 ( -0.367 1.834 -0.461) 1.927 9.759 ( -2.791 -13.819 -0.120) 14.099 ======================= Grid point 1463 (475/580) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 6.689 28.269 -3.614) 29.273 3.024 ( 15.668 16.366 -0.042) 22.656 4.038 ( -1.241 18.187 -0.838) 18.249 5.381 ( 4.712 4.892 -0.155) 6.794 6.106 ( 1.625 7.133 1.357) 7.441 6.517 ( -2.913 -5.672 0.728) 6.417 8.573 ( 0.619 -1.885 0.007) 1.984 8.825 ( 0.162 1.867 -0.348) 1.906 9.558 ( -4.882 -13.391 -0.050) 14.254 ======================= Grid point 1464 (476/580) ======================= q-point: ( 0.61 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 9.391 24.990 -2.451) 26.808 3.446 ( 14.987 14.771 0.042) 21.043 4.134 ( -2.351 8.927 -0.777) 9.264 5.519 ( 5.126 5.957 -0.279) 7.864 6.186 ( 1.116 3.408 1.219) 3.788 6.428 ( -2.392 -3.461 0.679) 4.262 8.550 ( -0.762 -2.516 -0.039) 2.629 8.856 ( 1.207 2.245 -0.190) 2.556 9.338 ( -6.007 -12.157 0.044) 13.560 ======================= Grid point 1465 (477/580) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 10.847 20.413 -1.048) 23.140 3.773 ( 6.219 11.195 -0.078) 12.807 4.174 ( 2.299 4.063 -0.256) 4.676 5.663 ( 4.128 7.035 -0.328) 8.163 6.214 ( -0.081 -0.225 0.975) 1.004 6.370 ( -1.198 -2.619 0.305) 2.896 8.502 ( -1.536 -2.772 -0.090) 3.170 8.904 ( 1.468 2.651 -0.043) 3.030 9.125 ( -5.923 -10.202 0.086) 11.797 ======================= Grid point 1466 (478/580) ======================= q-point: ( 0.72 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( 10.185 15.050 0.167) 18.173 3.841 ( -2.863 1.603 -0.403) 3.306 4.337 ( 7.243 8.744 0.523) 11.367 5.789 ( 2.268 7.463 -0.175) 7.802 6.187 ( -1.523 -2.693 0.648) 3.161 6.331 ( 0.041 -3.660 -0.235) 3.668 8.450 ( -1.275 -2.632 -0.137) 2.927 8.946 ( -4.268 -7.234 0.039) 8.400 8.952 ( 0.611 2.349 0.076) 2.429 ======================= Grid point 1467 (479/580) ======================= q-point: ( 0.78 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.783 ( -1.650 -0.921 -0.901) 2.093 3.896 ( 6.947 8.265 1.250) 10.869 4.518 ( 2.090 9.804 0.813) 10.057 5.882 ( 0.555 6.613 0.326) 6.644 6.120 ( -2.827 -3.011 0.052) 4.131 6.298 ( 1.465 -5.205 -0.481) 5.429 8.412 ( -0.292 -2.150 -0.195) 2.179 8.827 ( -1.890 -5.282 0.043) 5.610 8.986 ( -0.202 2.835 0.090) 2.844 ======================= Grid point 1480 (480/580) ======================= q-point: ( 0.50 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -0.000 30.523 -4.805) 30.899 2.702 ( -0.000 16.430 -0.511) 16.438 4.075 ( -0.000 23.547 -0.678) 23.557 5.285 ( 0.000 3.832 0.201) 3.838 6.079 ( 0.000 8.838 1.241) 8.924 6.576 ( 0.000 -6.267 0.898) 6.330 8.549 ( -0.000 -1.484 -0.009) 1.484 8.829 ( -0.000 1.353 -0.410) 1.414 9.644 ( -0.000 -14.113 -0.172) 14.114 ======================= Grid point 1481 (481/580) ======================= q-point: ( 0.56 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 2.349 29.458 -4.677) 29.920 2.940 ( 10.179 13.883 -0.692) 17.229 4.256 ( -2.653 17.442 -0.682) 17.656 5.352 ( 3.369 3.853 0.267) 5.125 6.161 ( 0.327 6.282 1.138) 6.393 6.512 ( -1.755 -3.999 1.129) 4.511 8.541 ( 0.757 -1.889 -0.015) 2.035 8.838 ( -0.047 1.189 -0.329) 1.235 9.486 ( -2.354 -13.594 -0.140) 13.797 ======================= Grid point 1482 (482/580) ======================= q-point: ( 0.61 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 4.494 26.438 -3.826) 27.089 3.289 ( 15.909 10.954 -0.616) 19.325 4.317 ( -5.979 10.823 -0.547) 12.377 5.473 ( 5.868 4.429 0.141) 7.353 6.214 ( -0.037 3.033 0.962) 3.182 6.449 ( -2.672 -1.784 1.098) 3.395 8.530 ( 0.201 -2.360 0.017) 2.369 8.856 ( 0.844 1.483 -0.235) 1.722 9.303 ( -4.028 -12.253 -0.063) 12.898 ======================= Grid point 1483 (483/580) ======================= q-point: ( 0.67 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( 6.374 21.946 -2.471) 22.986 3.652 ( 15.114 6.541 -0.413) 16.474 4.288 ( -6.242 7.355 -0.340) 9.652 5.630 ( 6.597 5.312 -0.057) 8.470 6.222 ( -0.815 -0.287 0.733) 1.133 6.391 ( -2.993 -0.934 0.780) 3.231 8.498 ( -1.037 -2.600 0.048) 2.799 8.897 ( 1.925 1.920 -0.131) 2.722 9.116 ( -4.808 -10.219 -0.010) 11.294 ======================= Grid point 1484 (484/580) ======================= q-point: ( 0.72 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.623 ( 7.340 16.520 -0.992) 18.105 3.840 ( 2.723 -1.710 -0.154) 3.219 4.340 ( 3.848 10.848 -0.218) 11.512 5.789 ( 5.335 5.780 -0.169) 7.867 6.188 ( -1.522 -2.717 0.448) 3.146 6.328 ( -2.982 -1.920 0.327) 3.562 8.449 ( -1.591 -2.458 0.048) 2.928 8.946 ( -3.433 -6.390 0.158) 7.256 8.953 ( 0.982 0.802 -0.206) 1.285 ======================= Grid point 1485 (485/580) ======================= q-point: ( 0.78 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( -2.502 -4.334 0.000) 5.005 3.878 ( 6.290 10.894 -0.000) 12.579 4.559 ( 6.409 11.100 -0.000) 12.817 5.909 ( 2.494 4.320 -0.000) 4.988 6.132 ( -1.512 -2.619 -0.000) 3.024 6.257 ( -2.080 -3.603 -0.000) 4.161 8.403 ( -1.143 -1.981 -0.000) 2.287 8.817 ( -3.052 -5.287 -0.000) 6.105 9.003 ( 1.238 2.145 -0.000) 2.477 ======================= Grid point 1500 (486/580) ======================= q-point: ( 0.56 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -0.000 28.939 -5.001) 29.367 2.974 ( -0.000 11.789 -1.137) 11.844 4.433 ( -0.000 13.362 -0.549) 13.373 5.357 ( 0.000 3.175 0.523) 3.218 6.215 ( 0.000 4.231 0.921) 4.330 6.502 ( 0.000 -1.776 1.383) 2.251 8.515 ( -0.000 -1.906 -0.071) 1.907 8.847 ( -0.000 0.723 -0.224) 0.757 9.375 ( -0.000 -12.932 -0.156) 12.933 ======================= Grid point 1501 (487/580) ======================= q-point: ( 0.61 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 8.147 10.879 -1.797) 13.709 3.211 ( 2.639 24.746 -4.034) 25.211 4.503 ( -4.178 8.506 -0.331) 9.482 5.423 ( 4.055 3.103 0.529) 5.133 6.243 ( -0.357 1.512 0.686) 1.698 6.484 ( -1.781 0.163 1.356) 2.244 8.501 ( 0.500 -2.007 -0.057) 2.069 8.856 ( 0.402 0.724 -0.117) 0.836 9.237 ( -1.949 -11.431 -0.115) 11.597 ======================= Grid point 1502 (488/580) ======================= q-point: ( 0.67 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( 9.701 11.592 -2.208) 15.276 3.487 ( 7.259 16.438 -2.316) 18.118 4.468 ( -7.024 5.187 -0.164) 8.733 5.554 ( 7.091 3.628 0.304) 7.971 6.234 ( -1.094 -1.260 0.438) 1.725 6.450 ( -3.337 0.827 1.072) 3.601 8.486 ( -0.158 -2.039 0.052) 2.046 8.880 ( 1.566 1.024 -0.068) 1.872 9.089 ( -3.315 -9.267 -0.073) 9.843 ======================= Grid point 1503 (489/580) ======================= q-point: ( 0.72 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.666 ( 6.730 10.524 -1.294) 12.559 3.741 ( 7.712 7.259 -1.137) 10.652 4.415 ( -3.120 5.512 -0.393) 6.345 5.724 ( 7.824 4.209 -0.026) 8.885 6.186 ( -1.743 -3.401 0.168) 3.825 6.389 ( -4.654 0.022 0.727) 4.710 8.454 ( -1.298 -1.829 0.167) 2.249 8.926 ( 2.204 0.633 0.061) 2.294 8.949 ( -3.531 -6.120 -0.189) 7.068 ======================= Grid point 1520 (490/580) ======================= q-point: ( 0.61 0.61 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( -0.000 7.356 -1.625) 7.533 3.434 ( -0.000 24.363 -4.717) 24.815 4.609 ( -0.000 5.430 -0.017) 5.431 5.414 ( 0.000 2.246 0.755) 2.370 6.254 ( 0.000 -0.548 0.401) 0.679 6.513 ( 0.000 1.509 1.341) 2.019 8.478 ( -0.000 -1.748 -0.146) 1.754 8.857 ( 0.000 0.414 0.074) 0.420 9.148 ( -0.000 -9.767 -0.105) 9.768 ======================= Grid point 1521 (491/580) ======================= q-point: ( 0.67 0.61 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 8.734 5.067 -1.641) 10.230 3.644 ( 0.268 20.133 -4.102) 20.548 4.610 ( -4.538 3.134 0.240) 5.520 5.478 ( 4.834 2.137 0.684) 5.330 6.233 ( -0.779 -2.491 0.091) 2.612 6.515 ( -2.169 1.671 1.117) 2.956 8.466 ( 0.367 -1.494 -0.098) 1.542 8.867 ( 0.734 0.464 0.179) 0.887 9.049 ( -1.657 -7.483 -0.079) 7.665 ======================= Grid point 1523 (492/580) ======================= q-point: (-0.28 -0.39 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( 12.739 2.591 -1.098) 13.046 3.812 ( 0.862 14.134 -2.983) 14.471 4.537 ( -6.268 2.314 0.168) 6.683 5.617 ( 8.242 2.501 0.324) 8.620 6.180 ( -1.671 -3.779 -0.226) 4.138 6.475 ( -4.281 0.782 0.862) 4.437 8.454 ( -0.317 -1.126 0.092) 1.174 8.895 ( 1.905 0.433 0.186) 1.962 8.949 ( -2.797 -4.763 -0.141) 5.525 ======================= Grid point 1541 (493/580) ======================= q-point: (-0.33 -0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -0.000 3.388 -1.978) 3.923 3.812 ( -0.000 16.040 -4.126) 16.563 4.676 ( 0.000 1.963 0.622) 2.059 5.452 ( 0.000 1.188 0.903) 1.492 6.211 ( -0.000 -3.313 -0.293) 3.326 6.553 ( 0.000 1.322 0.995) 1.654 8.449 ( -0.000 -1.028 -0.213) 1.050 8.865 ( 0.000 0.304 0.422) 0.520 9.000 ( -0.000 -5.129 -0.062) 5.130 ======================= Grid point 1542 (494/580) ======================= q-point: (-0.28 -0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( 8.479 1.503 -1.843) 8.806 3.924 ( -0.648 9.811 -3.492) 10.434 4.654 ( -4.553 1.510 0.762) 4.857 5.513 ( 5.545 0.941 0.753) 5.674 6.167 ( -1.050 -3.334 -0.655) 3.557 6.542 ( -2.472 0.178 0.840) 2.617 8.445 ( 0.370 -0.527 -0.126) 0.657 8.876 ( 0.804 0.247 0.486) 0.971 8.949 ( -1.498 -2.497 -0.098) 2.913 ======================= Grid point 1561 (495/580) ======================= q-point: (-0.28 -0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( -0.000 -0.180 -2.174) 2.181 3.987 ( -0.000 3.313 -3.563) 4.865 4.712 ( 0.000 1.443 1.106) 1.818 5.470 ( 0.000 0.091 0.978) 0.982 6.147 ( -0.000 -2.198 -1.003) 2.416 6.561 ( 0.000 -1.147 0.786) 1.391 8.437 ( -0.000 0.030 -0.244) 0.246 8.874 ( 0.000 0.246 0.668) 0.712 8.950 ( -0.000 0.021 -0.081) 0.084 ======================= Grid point 1734 (496/580) ======================= q-point: ( 0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 0.000 -0.000 9.591) 9.591 0.515 ( 0.000 -0.000 9.591) 9.591 0.732 ( 0.000 -0.000 12.662) 12.662 5.024 ( -0.000 0.000 -1.114) 1.114 5.024 ( -0.000 0.000 -1.114) 1.114 7.242 ( -0.000 0.000 -1.000) 1.000 8.558 ( 0.000 -0.000 0.113) 0.113 8.558 ( 0.000 -0.000 0.113) 0.113 10.573 ( 0.000 -0.000 0.040) 0.040 ======================= Grid point 1735 (497/580) ======================= q-point: ( 0.33 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 2.038 1.177 10.495) 10.755 0.796 ( 19.882 11.479 6.368) 23.824 1.156 ( 36.642 21.155 3.213) 42.432 5.044 ( 1.689 0.975 -1.164) 2.271 5.102 ( 6.970 4.024 -0.642) 8.073 7.199 ( -3.531 -2.039 -0.948) 4.186 8.563 ( 0.360 0.208 0.101) 0.427 8.607 ( 3.427 1.978 -1.057) 4.096 10.510 ( -5.031 -2.905 0.625) 5.843 ======================= Grid point 1736 (498/580) ======================= q-point: ( 0.39 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 9.066 5.234 5.121) 11.654 1.308 ( 22.727 13.121 3.989) 26.544 2.023 ( 37.893 21.877 0.641) 43.760 5.092 ( 2.798 1.616 -1.211) 3.451 5.313 ( 11.119 6.419 0.417) 12.846 7.083 ( -6.260 -3.614 -0.836) 7.277 8.572 ( 0.408 0.236 0.071) 0.477 8.681 ( 3.199 1.847 -1.141) 3.866 10.365 ( -7.852 -4.534 0.551) 9.084 ======================= Grid point 1737 (499/580) ======================= q-point: ( 0.44 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 18.454 10.654 1.160) 21.340 1.818 ( 21.122 12.195 2.992) 24.572 2.844 ( 34.153 19.718 -0.654) 39.442 5.160 ( 3.454 1.994 -1.232) 4.174 5.584 ( 12.162 7.021 1.260) 14.099 6.920 ( -7.689 -4.439 -0.652) 8.902 8.578 ( 0.034 0.020 0.036) 0.053 8.743 ( 2.569 1.483 -0.700) 3.048 10.161 ( -10.165 -5.869 0.258) 11.741 ======================= Grid point 1738 (500/580) ======================= q-point: ( 0.50 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 23.950 13.827 0.011) 27.655 2.271 ( 18.007 10.396 2.547) 20.948 3.550 ( 28.127 16.239 -1.413) 32.509 5.238 ( 3.614 2.087 -1.214) 4.347 5.852 ( 10.821 6.247 1.666) 12.605 6.744 ( -7.398 -4.271 -0.412) 8.552 8.572 ( -0.655 -0.378 0.016) 0.756 8.792 ( 1.880 1.086 -0.408) 2.209 9.911 ( -11.777 -6.800 0.152) 13.600 ======================= Grid point 1739 (501/580) ======================= q-point: ( 0.56 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 25.672 14.822 0.409) 29.646 2.643 ( 14.201 8.199 2.353) 16.566 4.096 ( 20.202 11.663 -1.766) 23.394 5.314 ( 3.338 1.927 -1.165) 4.026 6.071 ( 7.810 4.509 1.709) 9.179 6.598 ( -5.062 -2.922 -0.205) 5.848 8.549 ( -1.356 -0.783 0.028) 1.566 8.827 ( 1.244 0.718 -0.306) 1.469 9.637 ( -12.232 -7.062 0.182) 14.125 ======================= Grid point 1740 (502/580) ======================= q-point: ( 0.61 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 24.584 14.194 1.440) 28.424 2.926 ( 10.188 5.882 2.270) 11.981 4.449 ( 11.472 6.623 -1.725) 13.358 5.380 ( 2.736 1.580 -1.100) 3.346 6.207 ( 3.700 2.136 1.523) 4.536 6.525 ( -1.304 -0.753 -0.206) 1.519 8.513 ( -1.727 -0.997 0.080) 1.996 8.848 ( 0.772 0.446 -0.319) 0.946 9.370 ( -11.130 -6.426 0.195) 12.854 ======================= Grid point 1741 (503/580) ======================= q-point: ( 0.67 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 6.354 3.668 2.227) 7.667 3.369 ( 20.899 12.066 2.634) 24.276 4.621 ( 4.709 2.719 -1.421) 5.621 5.430 ( 1.933 1.116 -1.039) 2.462 6.246 ( -0.501 -0.289 1.304) 1.427 6.529 ( 1.355 0.782 -0.531) 1.653 8.475 ( -1.566 -0.904 0.157) 1.815 8.861 ( 0.499 0.288 -0.387) 0.695 9.146 ( -8.387 -4.842 0.117) 9.685 ======================= Grid point 1742 (504/580) ======================= q-point: ( 0.72 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( 2.925 1.688 2.195) 4.028 3.779 ( 13.919 8.036 3.547) 16.459 4.684 ( 1.735 1.002 -1.150) 2.310 5.461 ( 1.027 0.593 -0.995) 1.548 6.205 ( -2.919 -1.685 1.059) 3.533 6.560 ( 1.111 0.641 -0.834) 1.530 8.447 ( -0.906 -0.523 0.223) 1.070 8.869 ( 0.346 0.200 -0.505) 0.644 9.000 ( -4.437 -2.561 0.033) 5.123 ======================= Grid point 1753 (505/580) ======================= q-point: ( 0.33 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.000 3.366 9.497) 10.076 0.868 ( 0.000 23.727 4.928) 24.233 1.129 ( 0.000 40.951 3.806) 41.127 5.028 ( -0.000 1.368 -0.966) 1.675 5.111 ( -0.000 8.613 -0.802) 8.650 7.195 ( -0.000 -4.144 -0.902) 4.242 8.562 ( 0.000 0.378 0.111) 0.394 8.605 ( -0.000 3.876 -0.910) 3.981 10.512 ( 0.000 -5.700 0.534) 5.725 ======================= Grid point 1754 (506/580) ======================= q-point: ( 0.39 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 2.725 7.315 5.614) 9.615 1.227 ( 11.331 25.116 3.596) 27.788 1.767 ( 22.991 36.405 1.375) 43.079 5.064 ( 2.138 2.058 -0.978) 3.125 5.254 ( 5.483 10.787 -0.046) 12.100 7.115 ( -3.222 -5.779 -0.796) 6.665 8.572 ( 0.406 0.600 0.085) 0.730 8.657 ( 1.772 3.260 -1.076) 3.864 10.412 ( -4.173 -7.114 0.535) 8.265 ======================= Grid point 1755 (507/580) ======================= q-point: ( 0.44 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 10.338 14.116 1.751) 17.584 1.705 ( 14.622 23.419 2.809) 27.752 2.531 ( 28.064 28.333 -0.182) 39.880 5.129 ( 2.848 2.942 -1.070) 4.232 5.489 ( 9.023 10.560 0.858) 13.916 6.976 ( -5.484 -6.713 -0.643) 8.692 8.584 ( 0.074 0.850 0.043) 0.854 8.715 ( 2.222 2.018 -0.751) 3.094 10.241 ( -7.181 -8.169 0.296) 10.880 ======================= Grid point 1756 (508/580) ======================= q-point: ( 0.50 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 17.805 18.025 0.205) 25.337 2.173 ( 13.331 21.320 2.402) 25.259 3.245 ( 27.207 20.801 -1.060) 34.264 5.209 ( 2.967 3.697 -1.113) 4.869 5.752 ( 9.794 8.881 1.367) 13.292 6.805 ( -6.264 -6.755 -0.459) 9.224 8.587 ( -0.743 0.763 0.006) 1.065 8.766 ( 2.169 1.074 -0.413) 2.455 10.015 ( -9.420 -8.976 0.155) 13.013 ======================= Grid point 1757 (509/580) ======================= q-point: ( 0.56 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 22.016 18.733 0.413) 28.910 2.579 ( 10.265 18.901 2.199) 21.620 3.839 ( 22.907 13.432 -1.469) 26.595 5.292 ( 2.594 4.234 -1.097) 5.085 5.988 ( 8.376 6.407 1.469) 10.647 6.642 ( -5.142 -5.668 -0.303) 7.659 8.572 ( -1.599 0.303 -0.010) 1.628 8.806 ( 1.755 0.622 -0.233) 1.877 9.753 ( -10.687 -9.262 0.165) 14.143 ======================= Grid point 1758 (510/580) ======================= q-point: ( 0.61 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 23.155 17.398 1.353) 28.994 2.901 ( 6.612 16.181 2.097) 17.605 4.266 ( 16.291 6.272 -1.472) 17.518 5.371 ( 1.813 4.598 -1.038) 5.051 6.159 ( 5.369 3.474 1.293) 6.524 6.532 ( -2.138 -3.531 -0.296) 4.139 8.540 ( -2.110 -0.225 0.005) 2.122 8.836 ( 1.150 0.561 -0.179) 1.292 9.482 ( -10.603 -8.765 0.205) 13.758 ======================= Grid point 1759 (511/580) ======================= q-point: ( 0.67 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 9.903 12.895 1.972) 16.378 3.155 ( 14.763 15.003 2.519) 21.199 4.511 ( 9.448 0.534 -1.176) 9.536 5.436 ( 0.742 4.870 -0.953) 5.018 6.240 ( 1.496 0.440 1.030) 1.869 6.501 ( 1.225 -1.510 -0.551) 2.021 8.500 ( -2.083 -0.488 0.049) 2.140 8.856 ( 0.574 0.695 -0.205) 0.925 9.234 ( -8.878 -7.354 0.168) 11.529 ======================= Grid point 1760 (512/580) ======================= q-point: ( 0.72 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( -0.082 10.282 1.896) 10.455 3.612 ( 17.137 10.572 3.403) 20.422 4.615 ( 5.052 -2.430 -0.861) 5.672 5.485 ( -0.519 5.125 -0.851) 5.222 6.230 ( -1.797 -1.934 0.780) 2.753 6.523 ( 2.529 -1.094 -0.863) 2.887 8.465 ( -1.533 -0.365 0.100) 1.579 8.869 ( 0.148 0.848 -0.295) 0.910 9.048 ( -5.631 -5.170 0.078) 7.645 ======================= Grid point 1772 (513/580) ======================= q-point: ( 0.39 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.000 11.581 3.164) 12.005 1.388 ( 0.000 26.159 2.023) 26.237 1.992 ( 0.000 43.386 1.494) 43.412 5.066 ( -0.000 2.823 -0.632) 2.893 5.329 ( -0.000 13.182 -0.022) 13.182 7.075 ( -0.000 -7.412 -0.658) 7.442 8.572 ( 0.000 0.444 0.093) 0.454 8.677 ( -0.000 3.861 -0.971) 3.981 10.369 ( 0.000 -9.018 0.399) 9.027 ======================= Grid point 1773 (514/580) ======================= q-point: ( 0.44 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 4.239 17.782 0.318) 18.283 1.744 ( 10.310 25.318 1.473) 27.376 2.514 ( 11.887 37.873 0.480) 39.698 5.114 ( 2.121 3.425 -0.575) 4.069 5.498 ( 4.061 13.346 0.521) 13.960 6.971 ( -2.834 -8.330 -0.475) 8.811 8.583 ( 0.748 0.451 0.066) 0.876 8.715 ( 0.502 3.096 -0.735) 3.222 10.243 ( -3.620 -10.210 0.204) 10.835 ======================= Grid point 1774 (515/580) ======================= q-point: ( 0.50 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 10.575 22.049 -0.946) 24.472 2.197 ( 12.725 24.478 1.413) 27.624 3.092 ( 17.086 28.330 -0.490) 33.087 5.195 ( 3.036 4.246 -0.674) 5.263 5.715 ( 6.434 11.518 1.025) 13.233 6.822 ( -4.603 -8.420 -0.286) 9.601 8.600 ( 0.365 0.539 0.027) 0.652 8.749 ( 0.955 1.904 -0.453) 2.178 10.053 ( -6.459 -10.975 0.079) 12.735 ======================= Grid point 1775 (516/580) ======================= q-point: ( 0.56 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 16.032 22.867 -0.625) 27.934 2.636 ( 10.120 23.784 1.477) 25.890 3.622 ( 18.341 17.790 -1.068) 25.574 5.292 ( 2.966 5.221 -0.762) 6.053 5.933 ( 6.846 8.536 1.207) 11.009 6.661 ( -4.705 -7.481 -0.149) 8.839 8.600 ( -0.929 0.275 -0.025) 0.969 8.784 ( 1.504 1.152 -0.227) 1.908 9.816 ( -8.424 -11.247 0.088) 14.052 ======================= Grid point 1776 (517/580) ======================= q-point: ( 0.61 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 19.126 21.202 0.443) 28.558 3.003 ( 5.634 22.366 1.504) 23.113 4.042 ( 16.383 7.769 -1.176) 18.170 5.390 ( 2.219 6.180 -0.776) 6.612 6.110 ( 5.457 5.051 1.079) 7.514 6.529 ( -2.875 -5.486 -0.158) 6.196 8.574 ( -1.942 -0.386 -0.071) 1.981 8.821 ( 1.479 1.132 -0.082) 1.864 9.555 ( -9.249 -10.821 0.154) 14.236 ======================= Grid point 1777 (518/580) ======================= q-point: ( 0.67 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 19.590 17.943 1.658) 26.617 3.271 ( 1.239 19.688 1.446) 19.780 4.320 ( 12.281 0.092 -0.869) 12.312 5.481 ( 1.039 7.040 -0.708) 7.151 6.215 ( 2.686 1.489 0.790) 3.171 6.462 ( 0.160 -3.326 -0.410) 3.354 8.531 ( -2.174 -0.944 -0.090) 2.372 8.854 ( 0.903 1.475 -0.015) 1.730 9.301 ( -8.607 -9.550 0.168) 12.858 ======================= Grid point 1778 (519/580) ======================= q-point: ( 0.72 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 7.508 14.273 1.833) 16.231 3.468 ( 7.802 15.159 2.112) 17.179 4.469 ( 8.024 -3.621 -0.422) 8.813 5.558 ( -0.365 7.787 -0.556) 7.816 6.234 ( -0.536 -1.574 0.494) 1.734 6.458 ( 2.468 -2.561 -0.788) 3.643 8.486 ( -1.717 -1.095 -0.090) 2.038 8.880 ( 0.172 1.848 -0.025) 1.856 9.088 ( -6.360 -7.490 0.111) 9.826 ======================= Grid point 1791 (520/580) ======================= q-point: ( 0.44 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -0.000 22.203 -1.670) 22.266 1.893 ( 0.000 24.264 0.429) 24.268 2.813 ( 0.000 39.269 0.492) 39.272 5.129 ( -0.000 3.774 -0.195) 3.779 5.603 ( 0.000 14.127 0.534) 14.137 6.908 ( -0.000 -9.124 -0.231) 9.127 8.578 ( 0.000 0.036 0.066) 0.075 8.742 ( -0.000 3.173 -0.628) 3.235 10.166 ( 0.000 -11.676 0.051) 11.676 ======================= Grid point 1792 (521/580) ======================= q-point: ( 0.50 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 4.487 25.708 -2.680) 26.234 2.220 ( 10.497 22.509 0.126) 24.836 3.224 ( 4.873 33.812 0.032) 34.161 5.188 ( 2.308 4.181 -0.110) 4.777 5.763 ( 2.601 12.916 0.762) 13.197 6.796 ( -2.458 -9.074 0.013) 9.402 8.586 ( 1.023 -0.269 0.048) 1.059 8.767 ( -0.228 2.539 -0.468) 2.592 10.019 ( -3.187 -12.549 -0.051) 12.948 ======================= Grid point 1793 (522/580) ======================= q-point: ( 0.56 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 9.333 26.637 -2.343) 28.322 2.654 ( 14.247 21.222 0.231) 25.562 3.613 ( 6.754 24.547 -0.427) 25.462 5.284 ( 3.614 4.928 -0.208) 6.115 5.937 ( 3.872 10.196 0.912) 10.945 6.656 ( -3.743 -8.074 0.178) 8.901 8.599 ( 0.740 -0.704 0.027) 1.022 8.785 ( 0.105 1.977 -0.309) 2.004 9.818 ( -5.676 -12.832 -0.042) 14.031 ======================= Grid point 1794 (523/580) ======================= q-point: ( 0.61 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 13.307 25.009 -1.166) 28.353 3.089 ( 11.622 21.086 0.488) 24.082 3.920 ( 7.727 13.006 -0.678) 15.144 5.400 ( 3.690 6.021 -0.328) 7.069 6.089 ( 3.809 6.582 0.839) 7.651 6.524 ( -3.292 -6.116 0.178) 6.948 8.590 ( -0.745 -1.364 -0.029) 1.555 8.813 ( 1.027 1.925 -0.138) 2.186 9.582 ( -7.237 -12.421 0.037) 14.376 ======================= Grid point 1795 (524/580) ======================= q-point: ( 0.67 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 15.490 21.596 0.256) 26.578 3.440 ( 4.742 20.745 0.661) 21.290 4.132 ( 9.001 2.315 -0.565) 9.311 5.520 ( 2.791 7.226 -0.363) 7.755 6.192 ( 2.457 2.671 0.569) 3.674 6.434 ( -1.352 -3.986 -0.063) 4.209 8.550 ( -1.736 -1.952 -0.088) 2.614 8.854 ( 1.259 2.245 0.005) 2.574 9.338 ( -7.582 -11.216 0.093) 13.539 ======================= Grid point 1796 (525/580) ======================= q-point: ( 0.72 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 15.271 16.996 1.487) 22.897 3.648 ( -1.998 16.609 0.552) 16.738 4.287 ( 9.416 -1.830 -0.074) 9.593 5.631 ( 1.330 8.248 -0.259) 8.358 6.224 ( 0.195 -0.844 0.236) 0.898 6.396 ( 0.873 -3.182 -0.495) 3.336 8.499 ( -1.705 -2.195 -0.128) 2.783 8.896 ( 0.693 2.651 0.077) 2.741 9.116 ( -6.460 -9.253 0.084) 11.285 ======================= Grid point 1811 (526/580) ======================= q-point: ( 0.50 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -0.000 28.397 -3.803) 28.650 2.335 ( -0.000 20.720 -0.584) 20.728 3.522 ( -0.000 32.432 0.043) 32.432 5.207 ( 0.000 4.107 0.240) 4.114 5.871 ( 0.000 12.433 0.694) 12.453 6.729 ( 0.000 -8.772 0.330) 8.778 8.571 ( 0.000 -0.724 0.031) 0.725 8.793 ( -0.000 2.248 -0.410) 2.285 9.917 ( -0.000 -13.529 -0.153) 13.530 ======================= Grid point 1812 (527/580) ======================= q-point: ( 0.56 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 3.793 29.266 -3.820) 29.757 2.621 ( 10.569 18.430 -0.759) 21.259 3.821 ( 0.296 26.587 -0.096) 26.588 5.272 ( 2.705 4.294 0.308) 5.084 5.999 ( 1.332 10.371 0.685) 10.478 6.630 ( -2.102 -7.532 0.557) 7.839 8.572 ( 1.007 -1.211 0.023) 1.575 8.808 ( -0.351 1.848 -0.325) 1.909 9.758 ( -2.759 -13.832 -0.164) 14.106 ======================= Grid point 1813 (528/580) ======================= q-point: ( 0.61 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 7.328 27.906 -2.884) 28.996 3.021 ( 15.917 16.226 -0.613) 22.738 4.033 ( -1.327 18.104 -0.161) 18.153 5.382 ( 4.555 4.942 0.192) 6.724 6.114 ( 1.656 7.202 0.584) 7.413 6.522 ( -3.015 -5.448 0.596) 6.255 8.573 ( 0.611 -1.890 0.034) 1.987 8.822 ( 0.203 1.871 -0.225) 1.896 9.558 ( -4.829 -13.390 -0.099) 14.235 ======================= Grid point 1814 (529/580) ======================= q-point: ( 0.67 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 10.158 24.628 -1.452) 26.681 3.444 ( 15.255 14.585 -0.323) 21.108 4.130 ( -2.405 8.970 -0.107) 9.288 5.518 ( 4.994 5.995 0.045) 7.803 6.193 ( 1.111 3.445 0.340) 3.635 6.432 ( -2.572 -3.296 0.394) 4.200 8.550 ( -0.798 -2.504 0.027) 2.628 8.855 ( 1.269 2.238 -0.103) 2.575 9.338 ( -5.960 -12.160 -0.027) 13.542 ======================= Grid point 1815 (530/580) ======================= q-point: ( 0.72 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( 11.572 20.043 -0.000) 23.144 3.773 ( 6.315 10.938 -0.000) 12.630 4.173 ( 2.429 4.207 -0.000) 4.858 5.661 ( 4.077 7.061 -0.000) 8.153 6.218 ( -0.104 -0.181 -0.000) 0.209 6.372 ( -1.450 -2.511 -0.000) 2.899 8.502 ( -1.586 -2.747 -0.000) 3.172 8.904 ( 1.521 2.634 -0.000) 3.042 9.126 ( -5.898 -10.216 -0.000) 11.796 ======================= Grid point 1831 (531/580) ======================= q-point: ( 0.56 0.56 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -0.000 30.256 -4.402) 30.575 2.694 ( -0.000 16.371 -1.270) 16.420 4.072 ( -0.000 23.360 -0.022) 23.360 5.289 ( 0.000 3.864 0.592) 3.909 6.087 ( 0.000 8.941 0.527) 8.956 6.583 ( 0.000 -6.018 0.856) 6.078 8.549 ( -0.000 -1.506 -0.017) 1.506 8.826 ( -0.000 1.377 -0.260) 1.402 9.643 ( -0.000 -14.108 -0.215) 14.109 ======================= Grid point 1832 (532/580) ======================= q-point: ( 0.61 0.56 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 2.693 29.240 -4.032) 29.639 2.931 ( 10.335 13.842 -1.341) 17.326 4.253 ( -2.667 17.327 0.059) 17.531 5.356 ( 3.265 3.875 0.615) 5.104 6.168 ( 0.338 6.337 0.347) 6.355 6.521 ( -1.824 -3.790 0.953) 4.313 8.541 ( 0.782 -1.907 -0.013) 2.061 8.836 ( -0.049 1.221 -0.178) 1.234 9.485 ( -2.326 -13.577 -0.186) 13.776 ======================= Grid point 1833 (533/580) ======================= q-point: ( 0.67 0.56 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 5.110 26.212 -2.931) 26.866 3.282 ( 16.135 10.928 -1.094) 19.518 4.316 ( -5.997 10.765 0.167) 12.323 5.476 ( 5.716 4.430 0.456) 7.246 6.218 ( -0.034 3.059 0.093) 3.061 6.457 ( -2.816 -1.642 0.802) 3.357 8.530 ( 0.225 -2.360 0.057) 2.371 8.854 ( 0.848 1.507 -0.119) 1.733 9.303 ( -3.992 -12.239 -0.124) 12.874 ======================= Grid point 1851 (534/580) ======================= q-point: ( 0.61 0.61 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -0.000 28.817 -4.311) 29.138 2.962 ( -0.000 11.759 -1.744) 11.887 4.431 ( 0.000 13.301 0.252) 13.303 5.363 ( 0.000 3.187 0.830) 3.293 6.219 ( 0.000 4.256 0.104) 4.257 6.513 ( 0.000 -1.629 1.109) 1.971 8.514 ( -0.000 -1.934 -0.084) 1.936 8.846 ( -0.000 0.782 -0.048) 0.784 9.373 ( -0.000 -12.901 -0.194) 12.903 ======================= Grid point 1853 (535/580) ======================= q-point: (-0.33 -0.39 -0.72) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 6.873 13.285 -2.289) 15.132 3.180 ( 4.414 22.228 -3.218) 22.890 4.504 ( -4.205 8.491 0.441) 9.485 5.429 ( 3.944 3.098 0.793) 5.077 6.246 ( -0.355 1.521 -0.173) 1.572 6.494 ( -1.856 0.227 1.014) 2.127 8.501 ( 0.554 -2.027 -0.056) 2.102 8.855 ( 0.367 0.790 0.043) 0.872 9.236 ( -1.935 -11.400 -0.151) 11.564 ======================= Grid point 1872 (536/580) ======================= q-point: (-0.33 -0.33 -0.72) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( -0.000 7.337 -2.051) 7.618 3.397 ( -0.000 24.333 -3.925) 24.647 4.612 ( 0.000 5.462 0.736) 5.512 5.421 ( 0.000 2.246 0.957) 2.442 6.253 ( -0.000 -0.560 -0.465) 0.728 6.523 ( 0.000 1.499 0.995) 1.800 8.476 ( -0.000 -1.777 -0.161) 1.784 8.859 ( 0.000 0.506 0.240) 0.560 9.147 ( -0.000 -9.730 -0.118) 9.731 ======================= Grid point 2084 (537/580) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 0.000 -0.000 7.699) 7.699 0.589 ( 0.000 -0.000 7.699) 7.699 0.828 ( 0.000 -0.000 9.869) 9.869 5.015 ( -0.000 0.000 -1.039) 1.039 5.015 ( -0.000 0.000 -1.039) 1.039 7.234 ( -0.000 0.000 -0.882) 0.882 8.559 ( 0.000 -0.000 0.110) 0.110 8.559 ( 0.000 -0.000 0.110) 0.110 10.573 ( 0.000 -0.000 0.034) 0.034 ======================= Grid point 2085 (538/580) ======================= q-point: ( 0.39 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.756 0.437 8.479) 8.524 0.847 ( 18.797 10.853 5.629) 22.424 1.179 ( 35.429 20.455 2.113) 40.965 5.034 ( 1.660 0.958 -1.119) 2.219 5.097 ( 7.288 4.208 -0.510) 8.431 7.191 ( -3.516 -2.030 -0.802) 4.138 8.563 ( 0.351 0.203 0.088) 0.415 8.600 ( 3.073 1.774 -0.623) 3.602 10.514 ( -4.873 -2.814 0.395) 5.641 ======================= Grid point 2086 (539/580) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 7.429 4.289 4.406) 9.644 1.341 ( 22.244 12.842 3.731) 25.954 2.027 ( 37.388 21.586 0.153) 43.172 5.081 ( 2.779 1.605 -1.180) 3.419 5.316 ( 11.478 6.627 0.417) 13.260 7.076 ( -6.229 -3.596 -0.697) 7.226 8.573 ( 0.397 0.229 0.052) 0.461 8.672 ( 3.269 1.887 -0.773) 3.853 10.369 ( -7.926 -4.576 0.403) 9.162 ======================= Grid point 2087 (540/580) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 17.661 10.197 1.776) 20.470 1.843 ( 20.905 12.069 2.866) 24.308 2.838 ( 33.861 19.550 -0.786) 39.107 5.150 ( 3.451 1.992 -1.198) 4.161 5.594 ( 12.379 7.147 1.035) 14.331 6.915 ( -7.635 -4.408 -0.582) 8.835 8.579 ( 0.025 0.015 0.018) 0.034 8.739 ( 2.673 1.543 -0.447) 3.119 10.163 ( -10.224 -5.903 0.229) 11.808 ======================= Grid point 2088 (541/580) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 23.809 13.746 1.379) 27.527 2.292 ( 17.910 10.341 2.457) 20.827 3.539 ( 27.955 16.140 -1.212) 32.302 5.227 ( 3.625 2.093 -1.170) 4.346 5.864 ( 10.913 6.301 1.192) 12.658 6.740 ( -7.330 -4.232 -0.490) 8.479 8.572 ( -0.654 -0.378 0.005) 0.755 8.790 ( 1.921 1.109 -0.202) 2.227 9.912 ( -11.781 -6.802 0.185) 13.605 ======================= Grid point 2089 (542/580) ======================= q-point: ( 0.61 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 25.796 14.893 2.076) 29.858 2.663 ( 14.162 8.177 2.254) 16.508 4.083 ( 20.132 11.623 -1.263) 23.280 5.304 ( 3.356 1.938 -1.107) 4.030 6.082 ( 7.826 4.518 1.031) 9.095 6.595 ( -5.017 -2.896 -0.501) 5.815 8.549 ( -1.342 -0.775 0.028) 1.550 8.825 ( 1.231 0.711 -0.114) 1.426 9.639 ( -12.223 -7.057 0.219) 14.115 ======================= Grid point 2090 (543/580) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 24.791 14.313 3.076) 28.791 2.945 ( 10.176 5.875 2.138) 11.943 4.437 ( 11.485 6.631 -1.032) 13.302 5.370 ( 2.755 1.591 -1.029) 3.343 6.217 ( 3.698 2.135 0.736) 4.334 6.521 ( -1.330 -0.768 -0.703) 1.689 8.514 ( -1.701 -0.982 0.087) 1.967 8.846 ( 0.728 0.420 -0.138) 0.852 9.372 ( -11.149 -6.437 0.207) 12.875 ======================= Grid point 2103 (544/580) ======================= q-point: ( 0.39 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.000 1.602 7.450) 7.620 0.904 ( 0.000 22.452 3.472) 22.719 1.158 ( 0.000 39.826 2.904) 39.932 5.021 ( -0.000 1.439 -0.706) 1.603 5.104 ( -0.000 8.871 -0.775) 8.904 7.188 ( -0.000 -4.114 -0.714) 4.176 8.563 ( 0.000 0.375 0.102) 0.388 8.599 ( -0.000 3.492 -0.539) 3.533 10.516 ( 0.000 -5.542 0.324) 5.552 ======================= Grid point 2104 (545/580) ======================= q-point: ( 0.44 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 2.120 5.390 4.181) 7.143 1.254 ( 11.641 24.173 2.718) 26.967 1.777 ( 22.273 36.127 0.925) 42.451 5.056 ( 1.967 2.177 -0.750) 3.029 5.254 ( 5.819 11.033 -0.077) 12.474 7.110 ( -3.223 -5.728 -0.595) 6.599 8.572 ( 0.390 0.597 0.068) 0.716 8.649 ( 1.780 3.226 -0.691) 3.749 10.416 ( -4.182 -7.158 0.345) 8.297 ======================= Grid point 2105 (546/580) ======================= q-point: ( 0.50 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 10.009 12.825 1.645) 16.351 1.727 ( 14.787 22.890 2.323) 27.349 2.529 ( 27.642 28.226 -0.342) 39.508 5.120 ( 2.706 3.059 -0.893) 4.181 5.495 ( 9.291 10.701 0.648) 14.187 6.971 ( -5.485 -6.638 -0.484) 8.625 8.584 ( 0.058 0.845 0.023) 0.847 8.709 ( 2.313 2.078 -0.460) 3.143 10.243 ( -7.211 -8.243 0.212) 10.954 ======================= Grid point 2106 (547/580) ======================= q-point: ( 0.56 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 17.974 17.386 1.133) 25.033 2.192 ( 13.445 21.011 2.082) 25.031 3.237 ( 26.985 20.733 -0.911) 34.043 5.200 ( 2.877 3.793 -0.956) 4.856 5.761 ( 9.917 8.946 0.912) 13.387 6.801 ( -6.270 -6.664 -0.416) 9.159 8.587 ( -0.747 0.754 -0.010) 1.062 8.763 ( 2.232 1.107 -0.188) 2.499 10.016 ( -9.412 -9.010 0.151) 13.030 ======================= Grid point 2107 (548/580) ======================= q-point: ( 0.61 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 22.397 18.395 1.839) 29.041 2.597 ( 10.360 18.697 1.939) 21.463 3.829 ( 22.818 13.405 -1.020) 26.484 5.284 ( 2.541 4.317 -0.945) 5.098 5.998 ( 8.398 6.428 0.797) 10.606 6.639 ( -5.170 -5.581 -0.452) 7.622 8.572 ( -1.586 0.286 -0.016) 1.612 8.805 ( 1.767 0.632 -0.037) 1.877 9.755 ( -10.661 -9.271 0.187) 14.130 ======================= Grid point 2108 (549/580) ======================= q-point: ( 0.67 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 23.566 17.173 2.878) 29.300 2.918 ( 6.707 16.019 1.832) 17.463 4.257 ( 16.291 6.302 -0.797) 17.486 5.362 ( 1.779 4.679 -0.883) 5.083 6.167 ( 5.350 3.478 0.490) 6.400 6.528 ( -2.215 -3.479 -0.668) 4.178 8.541 ( -2.076 -0.254 0.010) 2.091 8.836 ( 1.115 0.570 0.004) 1.252 9.483 ( -10.597 -8.778 0.208) 13.763 ======================= Grid point 2123 (550/580) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.000 9.463 1.905) 9.652 1.400 ( 0.000 25.654 0.802) 25.667 2.004 ( 0.000 42.909 1.308) 42.929 5.062 ( -0.000 2.907 -0.240) 2.917 5.328 ( -0.000 13.505 -0.187) 13.506 7.071 ( -0.000 -7.329 -0.423) 7.341 8.572 ( 0.000 0.437 0.080) 0.445 8.670 ( -0.000 3.874 -0.631) 3.925 10.372 ( 0.000 -9.102 0.227) 9.105 ======================= Grid point 2124 (551/580) ======================= q-point: ( 0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 4.322 16.245 -0.175) 16.811 1.752 ( 10.705 24.867 0.531) 27.079 2.518 ( 11.497 37.674 0.483) 39.392 5.111 ( 1.951 3.538 -0.207) 4.045 5.501 ( 4.254 13.557 0.226) 14.211 6.968 ( -2.851 -8.216 -0.257) 8.700 8.584 ( 0.735 0.448 0.053) 0.862 8.710 ( 0.554 3.145 -0.461) 3.227 10.245 ( -3.621 -10.304 0.096) 10.922 ======================= Grid point 2125 (552/580) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 11.062 21.143 -0.493) 23.867 2.206 ( 13.149 24.069 0.767) 27.437 3.089 ( 16.721 28.302 -0.268) 32.874 5.191 ( 2.839 4.378 -0.364) 5.231 5.722 ( 6.592 11.610 0.542) 13.361 6.820 ( -4.646 -8.285 -0.157) 9.500 8.600 ( 0.342 0.543 0.015) 0.642 8.747 ( 1.031 1.920 -0.236) 2.192 10.053 ( -6.434 -11.031 0.041) 12.770 ======================= Grid point 2126 (553/580) ======================= q-point: ( 0.61 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 16.716 22.274 0.468) 27.853 2.647 ( 10.445 23.465 1.011) 25.705 3.615 ( 18.136 17.809 -0.611) 25.425 5.286 ( 2.815 5.346 -0.488) 6.061 5.940 ( 6.901 8.568 0.526) 11.014 6.659 ( -4.785 -7.346 -0.184) 8.769 8.600 ( -0.950 0.271 -0.030) 0.988 8.783 ( 1.564 1.147 -0.042) 1.940 9.817 ( -8.377 -11.272 0.082) 14.044 ======================= Grid point 2127 (554/580) ======================= q-point: ( 0.67 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 19.804 20.742 1.778) 28.733 3.014 ( 5.849 22.112 1.127) 22.900 4.035 ( 16.346 7.818 -0.529) 18.127 5.385 ( 2.120 6.296 -0.518) 6.663 6.116 ( 5.441 5.061 0.256) 7.435 6.527 ( -3.009 -5.379 -0.403) 6.177 8.573 ( -1.943 -0.409 -0.056) 1.986 8.821 ( 1.499 1.131 0.079) 1.880 9.557 ( -9.214 -10.842 0.135) 14.229 ======================= Grid point 2143 (555/580) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.000 21.015 -1.980) 21.109 1.892 ( -0.000 24.061 -0.598) 24.068 2.818 ( 0.000 38.995 0.641) 39.000 5.129 ( 0.000 3.846 0.246) 3.854 5.606 ( 0.000 14.347 0.125) 14.347 6.907 ( 0.000 -8.976 -0.007) 8.976 8.578 ( 0.000 0.027 0.053) 0.060 8.738 ( -0.000 3.214 -0.390) 3.238 10.166 ( 0.000 -11.761 -0.037) 11.761 ======================= Grid point 2144 (556/580) ======================= q-point: ( 0.56 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 4.892 24.948 -2.420) 25.538 2.217 ( 10.783 22.310 -0.718) 24.790 3.226 ( 4.701 33.660 0.354) 33.988 5.189 ( 2.162 4.262 0.296) 4.788 5.768 ( 2.689 13.056 0.217) 13.331 6.796 ( -2.498 -8.907 0.168) 9.252 8.587 ( 1.021 -0.274 0.041) 1.058 8.764 ( -0.197 2.552 -0.271) 2.574 10.019 ( -3.162 -12.604 -0.098) 12.995 ======================= Grid point 2145 (557/580) ======================= q-point: ( 0.61 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 10.077 26.074 -1.501) 27.994 2.653 ( 14.652 20.974 -0.409) 25.588 3.612 ( 6.532 24.532 0.093) 25.387 5.283 ( 3.422 5.023 0.148) 6.080 5.942 ( 3.938 10.260 0.208) 10.991 6.658 ( -3.836 -7.907 0.190) 8.790 8.599 ( 0.722 -0.700 0.030) 1.006 8.783 ( 0.162 1.962 -0.141) 1.974 9.817 ( -5.625 -12.860 -0.066) 14.037 ======================= Grid point 2146 (558/580) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 14.147 24.504 -0.000) 28.295 3.091 ( 12.021 20.821 -0.000) 24.042 3.917 ( 7.551 13.079 -0.000) 15.102 5.399 ( 3.531 6.116 -0.000) 7.062 6.093 ( 3.813 6.605 -0.000) 7.627 6.525 ( -3.449 -5.974 -0.000) 6.898 8.589 ( -0.782 -1.354 -0.000) 1.563 8.813 ( 1.096 1.898 -0.000) 2.192 9.582 ( -7.184 -12.443 -0.000) 14.368 ======================= Grid point 2163 (559/580) ======================= q-point: ( 0.56 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -0.000 27.893 -3.370) 28.096 2.327 ( -0.000 20.642 -1.403) 20.690 3.524 ( 0.000 32.258 0.475) 32.261 5.211 ( 0.000 4.152 0.646) 4.202 5.874 ( -0.000 12.567 0.063) 12.567 6.732 ( 0.000 -8.587 0.436) 8.598 8.572 ( 0.000 -0.739 0.021) 0.739 8.790 ( -0.000 2.258 -0.227) 2.269 9.916 ( -0.000 -13.566 -0.186) 13.567 ======================= Grid point 2164 (560/580) ======================= q-point: ( 0.61 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 4.237 28.884 -3.021) 29.349 2.611 ( 10.780 18.352 -1.434) 21.332 3.822 ( 0.239 26.475 0.479) 26.481 5.277 ( 2.585 4.335 0.669) 5.092 6.002 ( 1.359 10.456 -0.051) 10.544 6.635 ( -2.167 -7.353 0.536) 7.684 8.572 ( 1.021 -1.223 0.021) 1.593 8.806 ( -0.340 1.852 -0.155) 1.890 9.756 ( -2.727 -13.849 -0.187) 14.117 ======================= Grid point 2184 (561/580) ======================= q-point: (-0.39 -0.39 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -0.000 29.999 -3.460) 30.198 2.681 ( -0.000 16.343 -1.877) 16.451 4.075 ( 0.000 23.258 0.644) 23.267 5.295 ( 0.000 3.879 0.908) 3.984 6.088 ( -0.000 9.009 -0.257) 9.012 6.590 ( 0.000 -5.853 0.723) 5.897 8.549 ( -0.000 -1.529 -0.024) 1.529 8.825 ( -0.000 1.401 -0.081) 1.403 9.641 ( -0.000 -14.108 -0.231) 14.110 ======================= Grid point 2437 (562/580) ======================= q-point: ( 0.39 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 0.000 -0.000 5.400) 5.400 0.645 ( 0.000 -0.000 5.400) 5.400 0.899 ( 0.000 -0.000 6.762) 6.762 5.007 ( -0.000 0.000 -0.807) 0.807 5.007 ( -0.000 0.000 -0.807) 0.807 7.227 ( -0.000 0.000 -0.656) 0.656 8.560 ( 0.000 -0.000 0.089) 0.089 8.560 ( 0.000 -0.000 0.089) 0.089 10.573 ( 0.000 -0.000 0.025) 0.025 ======================= Grid point 2438 (563/580) ======================= q-point: ( 0.44 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 18.150 10.479 4.265) 21.388 0.893 ( -0.267 -0.154 5.754) 5.763 1.192 ( 34.732 20.052 0.933) 40.116 5.025 ( 1.602 0.925 -0.908) 2.061 5.093 ( 7.555 4.362 -0.273) 8.728 7.185 ( -3.510 -2.026 -0.556) 4.091 8.564 ( 0.342 0.197 0.058) 0.399 8.596 ( 2.827 1.632 -0.323) 3.280 10.517 ( -4.759 -2.748 0.226) 5.500 ======================= Grid point 2439 (564/580) ======================= q-point: ( 0.50 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 6.504 3.755 3.109) 8.129 1.370 ( 21.934 12.663 2.992) 25.503 2.026 ( 37.048 21.390 -0.302) 42.780 5.072 ( 2.738 1.581 -0.980) 3.309 5.320 ( 11.743 6.780 0.403) 13.565 7.071 ( -6.223 -3.593 -0.469) 7.201 8.573 ( 0.387 0.223 0.021) 0.447 8.667 ( 3.299 1.905 -0.406) 3.831 10.371 ( -7.956 -4.593 0.251) 9.190 ======================= Grid point 2440 (565/580) ======================= q-point: ( 0.56 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 17.341 10.012 2.097) 20.133 1.866 ( 20.776 11.995 2.369) 24.107 2.831 ( 33.693 19.453 -0.811) 38.914 5.140 ( 3.428 1.979 -1.001) 4.083 5.601 ( 12.504 7.219 0.701) 14.456 6.910 ( -7.632 -4.407 -0.433) 8.824 8.579 ( 0.020 0.011 -0.006) 0.024 8.736 ( 2.743 1.584 -0.165) 3.172 10.165 ( -10.245 -5.915 0.180) 11.832 ======================= Grid point 2441 (566/580) ======================= q-point: ( 0.61 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 23.881 13.788 2.539) 27.692 2.312 ( 17.864 10.314 2.057) 20.730 3.530 ( 27.891 16.103 -0.881) 32.217 5.218 ( 3.619 2.090 -0.972) 4.291 5.872 ( 10.934 6.313 0.590) 12.639 6.736 ( -7.345 -4.240 -0.495) 8.495 8.572 ( -0.649 -0.375 -0.008) 0.749 8.789 ( 1.946 1.124 0.017) 2.248 9.914 ( -11.770 -6.796 0.197) 13.593 ======================= Grid point 2457 (567/580) ======================= q-point: ( 0.44 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.000 0.057 4.669) 4.670 0.926 ( 0.000 21.490 1.630) 21.552 1.179 ( 0.000 39.473 1.891) 39.519 5.017 ( -0.000 1.537 -0.327) 1.571 5.098 ( -0.000 9.018 -0.614) 9.039 7.183 ( -0.000 -4.088 -0.437) 4.111 8.564 ( 0.000 0.375 0.074) 0.382 8.596 ( -0.000 3.233 -0.281) 3.246 10.518 ( 0.000 -5.443 0.166) 5.446 ======================= Grid point 2458 (568/580) ======================= q-point: ( 0.50 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 1.879 4.102 2.235) 5.035 1.272 ( 12.251 23.332 1.462) 26.393 1.783 ( 21.584 36.108 0.457) 42.070 5.051 ( 1.726 2.331 -0.408) 2.929 5.253 ( 6.139 11.140 -0.055) 12.720 7.106 ( -3.238 -5.686 -0.318) 6.551 8.573 ( 0.370 0.600 0.038) 0.706 8.645 ( 1.790 3.175 -0.335) 3.660 10.418 ( -4.172 -7.182 0.169) 8.308 ======================= Grid point 2459 (569/580) ======================= q-point: ( 0.56 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 10.178 11.972 1.274) 15.765 1.743 ( 15.127 22.393 1.518) 27.067 2.526 ( 27.290 28.270 -0.434) 39.295 5.114 ( 2.516 3.197 -0.589) 4.110 5.500 ( 9.494 10.736 0.381) 14.336 6.968 ( -5.524 -6.588 -0.259) 8.601 8.584 ( 0.043 0.845 -0.004) 0.846 8.707 ( 2.381 2.100 -0.150) 3.178 10.245 ( -7.206 -8.288 0.116) 10.983 ======================= Grid point 2460 (570/580) ======================= q-point: ( 0.61 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 18.446 16.929 1.893) 25.108 2.208 ( 13.651 20.725 1.491) 24.862 3.230 ( 26.847 20.767 -0.661) 33.948 5.193 ( 2.753 3.901 -0.670) 4.821 5.767 ( 9.975 8.938 0.363) 13.398 6.798 ( -6.340 -6.616 -0.311) 9.168 8.587 ( -0.749 0.748 -0.027) 1.059 8.762 ( 2.281 1.118 0.046) 2.540 10.018 ( -9.382 -9.032 0.132) 13.024 ======================= Grid point 2477 (571/580) ======================= q-point: ( 0.50 0.50 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 7.995 0.304) 8.001 1.401 ( -0.000 25.321 -0.555) 25.327 2.014 ( 0.000 42.644 1.035) 42.657 5.062 ( 0.000 3.000 0.206) 3.007 5.326 ( -0.000 13.692 -0.301) 13.695 7.068 ( -0.000 -7.259 -0.130) 7.260 8.573 ( 0.000 0.435 0.052) 0.438 8.667 ( -0.000 3.855 -0.291) 3.866 10.373 ( 0.000 -9.156 0.062) 9.156 ======================= Grid point 2478 (572/580) ======================= q-point: ( 0.56 0.50 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 4.672 15.206 -0.741) 15.925 1.752 ( 11.233 24.512 -0.517) 26.968 2.522 ( 11.136 37.640 0.473) 39.255 5.111 ( 1.739 3.661 0.202) 4.057 5.502 ( 4.424 13.645 -0.082) 14.344 6.967 ( -2.889 -8.129 -0.000) 8.627 8.584 ( 0.722 0.451 0.031) 0.852 8.707 ( 0.596 3.147 -0.162) 3.207 10.245 ( -3.605 -10.363 -0.012) 10.972 ======================= Grid point 2479 (573/580) ======================= q-point: ( 0.61 0.50 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 11.825 20.482 -0.000) 23.650 2.210 ( 13.685 23.702 -0.000) 27.369 3.088 ( 16.401 28.407 -0.000) 32.801 5.189 ( 2.608 4.518 -0.000) 5.217 5.724 ( 6.703 11.609 -0.000) 13.405 6.819 ( -4.732 -8.197 -0.000) 9.465 8.600 ( 0.319 0.553 -0.000) 0.638 8.746 ( 1.098 1.901 -0.000) 2.195 10.054 ( -6.391 -11.069 -0.000) 12.782 ======================= Grid point 2497 (574/580) ======================= q-point: ( 0.56 0.56 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -0.000 20.247 -2.144) 20.360 1.883 ( -0.000 23.964 -1.575) 24.015 2.824 ( 0.000 38.870 0.754) 38.878 5.133 ( 0.000 3.911 0.666) 3.967 5.605 ( -0.000 14.457 -0.300) 14.460 6.908 ( 0.000 -8.869 0.226) 8.872 8.578 ( 0.000 0.022 0.032) 0.039 8.736 ( -0.000 3.211 -0.120) 3.213 10.166 ( -0.000 -11.814 -0.116) 11.815 ======================= Grid point 2793 (575/580) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 0.000 -0.000 2.786) 2.786 0.680 ( 0.000 -0.000 2.786) 2.786 0.943 ( 0.000 -0.000 3.437) 3.437 5.001 ( -0.000 0.000 -0.442) 0.442 5.001 ( -0.000 0.000 -0.442) 0.442 7.223 ( -0.000 0.000 -0.350) 0.350 8.560 ( 0.000 -0.000 0.049) 0.049 8.560 ( 0.000 -0.000 0.049) 0.049 10.574 ( 0.000 -0.000 0.013) 0.013 ======================= Grid point 2794 (576/580) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 17.926 10.349 2.457) 20.844 0.928 ( -0.907 -0.524 2.409) 2.626 1.195 ( 34.453 19.891 -0.107) 39.783 5.019 ( 1.521 0.878 -0.556) 1.842 5.092 ( 7.742 4.470 0.032) 8.940 7.182 ( -3.512 -2.028 -0.241) 4.063 8.564 ( 0.334 0.193 0.016) 0.386 8.594 ( 2.701 1.559 -0.104) 3.120 10.518 ( -4.695 -2.711 0.090) 5.422 ======================= Grid point 2795 (577/580) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 6.338 3.659 1.451) 7.462 1.391 ( 21.828 12.602 1.880) 25.274 2.022 ( 36.894 21.300 -0.699) 42.607 5.065 ( 2.675 1.544 -0.636) 3.154 5.323 ( 11.875 6.856 0.368) 13.717 7.069 ( -6.243 -3.605 -0.181) 7.211 8.573 ( 0.380 0.219 -0.016) 0.439 8.665 ( 3.319 1.916 -0.052) 3.832 10.373 ( -7.954 -4.592 0.096) 9.185 ======================= Grid point 2813 (578/580) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -0.000 20.891 -0.417) 20.895 0.933 ( 0.000 -0.957 1.247) 1.572 1.191 ( 0.000 39.594 0.982) 39.606 5.016 ( 0.000 1.648 0.118) 1.652 5.094 ( -0.000 9.042 -0.348) 9.049 7.181 ( -0.000 -4.068 -0.105) 4.069 8.564 ( 0.000 0.378 0.032) 0.380 8.594 ( -0.000 3.109 -0.082) 3.110 10.518 ( 0.000 -5.404 0.035) 5.404 ======================= Grid point 2814 (579/580) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 2.035 3.524 -0.000) 4.070 1.278 ( 13.093 22.678 -0.000) 26.187 1.785 ( 20.972 36.324 -0.000) 41.943 5.050 ( 1.443 2.500 -0.000) 2.886 5.253 ( 6.403 11.090 -0.000) 12.805 7.104 ( -3.267 -5.658 -0.000) 6.534 8.573 ( 0.351 0.608 -0.000) 0.702 8.643 ( 1.814 3.142 -0.000) 3.628 10.419 ( -4.155 -7.196 -0.000) 8.310 ======================= Grid point 3155 (580/580) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 5.98e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 -0.000 0.000) 0.000 0.692 ( 0.000 -0.000 0.000) 0.000 0.957 ( 0.000 -0.000 0.000) 0.000 5.000 ( 0.000 -0.000 0.000) 0.000 5.000 ( 0.000 -0.000 0.000) 0.000 7.222 ( 0.000 -0.000 0.000) 0.000 8.560 ( 0.000 -0.000 0.000) 0.000 8.560 ( 0.000 -0.000 0.000) 0.000 10.574 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/52488 10.0 262.915 262.915 162.631 0.000 0.000 0.000 3/52488 20.0 342.603 342.603 56.496 0.000 -0.000 0.000 3/52488 30.0 313.720 313.720 33.946 0.000 -0.000 0.000 3/52488 40.0 271.250 271.250 24.049 0.000 -0.000 0.000 3/52488 50.0 230.094 230.094 18.498 0.000 -0.000 0.000 3/52488 60.0 194.954 194.954 14.964 0.000 -0.000 0.000 3/52488 70.0 166.752 166.752 12.534 0.000 -0.000 0.000 3/52488 80.0 144.585 144.585 10.772 0.000 -0.000 0.000 3/52488 90.0 127.139 127.139 9.442 0.000 -0.000 0.000 3/52488 100.0 113.250 113.250 8.404 0.000 -0.000 0.000 3/52488 110.0 102.027 102.027 7.574 0.000 -0.000 0.000 3/52488 120.0 92.815 92.815 6.895 0.000 -0.000 0.000 3/52488 130.0 85.140 85.140 6.329 0.000 -0.000 0.000 3/52488 140.0 78.659 78.659 5.851 0.000 -0.000 0.000 3/52488 150.0 73.116 73.116 5.441 0.000 -0.000 0.000 3/52488 160.0 68.325 68.325 5.086 0.000 -0.000 0.000 3/52488 170.0 64.141 64.141 4.775 0.000 -0.000 0.000 3/52488 180.0 60.457 60.457 4.501 0.000 -0.000 0.000 3/52488 190.0 57.187 57.187 4.257 0.000 -0.000 0.000 3/52488 200.0 54.264 54.264 4.039 0.000 -0.000 0.000 3/52488 210.0 51.635 51.635 3.842 0.000 -0.000 0.000 3/52488 220.0 49.258 49.258 3.664 0.000 -0.000 0.000 3/52488 230.0 47.097 47.097 3.502 0.000 -0.000 0.000 3/52488 240.0 45.123 45.123 3.354 0.000 -0.000 0.000 3/52488 250.0 43.313 43.313 3.218 0.000 -0.000 0.000 3/52488 260.0 41.648 41.648 3.093 0.000 -0.000 0.000 3/52488 270.0 40.109 40.109 2.978 0.000 -0.000 0.000 3/52488 280.0 38.682 38.682 2.871 0.000 -0.000 0.000 3/52488 290.0 37.357 37.357 2.771 0.000 -0.000 0.000 3/52488 300.0 36.122 36.122 2.678 0.000 -0.000 0.000 3/52488 310.0 34.967 34.967 2.592 0.000 -0.000 0.000 3/52488 320.0 33.886 33.886 2.510 0.000 -0.000 0.000 3/52488 330.0 32.871 32.871 2.434 0.000 -0.000 0.000 3/52488 340.0 31.917 31.917 2.363 0.000 -0.000 0.000 3/52488 350.0 31.018 31.018 2.295 0.000 -0.000 0.000 3/52488 360.0 30.168 30.168 2.231 0.000 -0.000 0.000 3/52488 370.0 29.365 29.365 2.171 0.000 -0.000 0.000 3/52488 380.0 28.605 28.605 2.114 0.000 -0.000 0.000 3/52488 390.0 27.884 27.884 2.060 0.000 -0.000 0.000 3/52488 400.0 27.198 27.198 2.009 0.000 -0.000 0.000 3/52488 410.0 26.546 26.546 1.960 0.000 -0.000 0.000 3/52488 420.0 25.925 25.925 1.913 0.000 -0.000 0.000 3/52488 430.0 25.333 25.333 1.869 0.000 -0.000 0.000 3/52488 440.0 24.768 24.768 1.827 0.000 -0.000 0.000 3/52488 450.0 24.228 24.228 1.786 0.000 -0.000 0.000 3/52488 460.0 23.711 23.711 1.748 0.000 -0.000 0.000 3/52488 470.0 23.216 23.216 1.711 0.000 -0.000 0.000 3/52488 480.0 22.742 22.742 1.675 0.000 -0.000 0.000 3/52488 490.0 22.287 22.287 1.641 0.000 -0.000 0.000 3/52488 500.0 21.850 21.850 1.609 0.000 -0.000 0.000 3/52488 510.0 21.430 21.430 1.577 0.000 -0.000 0.000 3/52488 520.0 21.026 21.026 1.547 0.000 -0.000 0.000 3/52488 530.0 20.637 20.637 1.518 0.000 -0.000 0.000 3/52488 540.0 20.262 20.262 1.490 0.000 -0.000 0.000 3/52488 550.0 19.901 19.901 1.463 0.000 -0.000 0.000 3/52488 560.0 19.553 19.553 1.437 0.000 -0.000 0.000 3/52488 570.0 19.216 19.216 1.412 0.000 -0.000 0.000 3/52488 580.0 18.892 18.892 1.388 0.000 -0.000 0.000 3/52488 590.0 18.578 18.578 1.365 0.000 -0.000 0.000 3/52488 600.0 18.274 18.274 1.342 0.000 -0.000 0.000 3/52488 610.0 17.980 17.980 1.320 0.000 -0.000 0.000 3/52488 620.0 17.696 17.696 1.299 0.000 -0.000 0.000 3/52488 630.0 17.421 17.421 1.279 0.000 -0.000 0.000 3/52488 640.0 17.154 17.154 1.259 0.000 -0.000 0.000 3/52488 650.0 16.895 16.895 1.239 0.000 -0.000 0.000 3/52488 660.0 16.644 16.644 1.221 0.000 -0.000 0.000 3/52488 670.0 16.400 16.400 1.203 0.000 -0.000 0.000 3/52488 680.0 16.164 16.164 1.185 0.000 -0.000 0.000 3/52488 690.0 15.934 15.934 1.168 0.000 -0.000 0.000 3/52488 700.0 15.711 15.711 1.152 0.000 -0.000 0.000 3/52488 710.0 15.494 15.494 1.135 0.000 -0.000 0.000 3/52488 720.0 15.283 15.283 1.120 0.000 -0.000 0.000 3/52488 730.0 15.077 15.077 1.105 0.000 -0.000 0.000 3/52488 740.0 14.877 14.877 1.090 0.000 -0.000 0.000 3/52488 750.0 14.683 14.683 1.075 0.000 -0.000 0.000 3/52488 760.0 14.493 14.493 1.061 0.000 -0.000 0.000 3/52488 770.0 14.308 14.308 1.048 0.000 -0.000 0.000 3/52488 780.0 14.128 14.128 1.034 0.000 -0.000 0.000 3/52488 790.0 13.953 13.953 1.021 0.000 -0.000 0.000 3/52488 800.0 13.782 13.782 1.009 0.000 -0.000 0.000 3/52488 810.0 13.615 13.615 0.996 0.000 -0.000 0.000 3/52488 820.0 13.452 13.452 0.984 0.000 -0.000 0.000 3/52488 830.0 13.292 13.292 0.972 0.000 -0.000 0.000 3/52488 840.0 13.137 13.137 0.961 0.000 -0.000 0.000 3/52488 850.0 12.985 12.985 0.950 0.000 -0.000 0.000 3/52488 860.0 12.837 12.837 0.939 0.000 -0.000 0.000 3/52488 870.0 12.692 12.692 0.928 0.000 -0.000 0.000 3/52488 880.0 12.550 12.550 0.918 0.000 -0.000 0.000 3/52488 890.0 12.412 12.412 0.907 0.000 -0.000 0.000 3/52488 900.0 12.276 12.276 0.897 0.000 -0.000 0.000 3/52488 910.0 12.144 12.144 0.888 0.000 -0.000 0.000 3/52488 920.0 12.014 12.014 0.878 0.000 -0.000 0.000 3/52488 930.0 11.887 11.887 0.869 0.000 -0.000 0.000 3/52488 940.0 11.763 11.763 0.859 0.000 -0.000 0.000 3/52488 950.0 11.641 11.641 0.850 0.000 -0.000 0.000 3/52488 960.0 11.522 11.522 0.842 0.000 -0.000 0.000 3/52488 970.0 11.405 11.405 0.833 0.000 -0.000 0.000 3/52488 980.0 11.290 11.290 0.825 0.000 -0.000 0.000 3/52488 990.0 11.178 11.178 0.816 0.000 -0.000 0.000 3/52488 1000.0 11.068 11.068 0.808 0.000 -0.000 0.000 3/52488 Thermal conductivity related properties were written into "kappa-m181818.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:27:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|