----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:22:34]------------------------- 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: [2 4 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.222477025936264 -1.489574165000001 0.000000000000000 b 3.222477025936264 1.489574165000001 0.000000000000000 c -3.085996057371895 0.000000000000000 5.403022221603250 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *2 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 *3 O 0.57621688389797 0.57621688389797 0.74347720107904 15.999 4 O 0.42378311610203 0.42378311610203 0.25652279892096 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.444954051872529 0.000000000000000 0.000000000000000 b 0.000000000000000 2.979148330000001 0.000000000000000 c -3.085996057371895 0.000000000000000 5.403022221603250 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 *3 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 2 4 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 2 *5 O 0.07621688389797 0.50000000000000 0.74347720107904 15.999 > 3 6 O 0.92378311610203 0.50000000000000 0.25652279892096 15.999 > 4 7 O 0.57621688389797 0.00000000000000 0.74347720107904 15.999 > 3 8 O 0.42378311610203 0.00000000000000 0.25652279892096 15.999 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.889908103745057 0.000000000000000 0.000000000000000 b 0.000000000000000 11.916593320000004 0.000000000000000 c -6.171992114743790 0.000000000000000 10.806044443206501 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 1 4 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 1 5 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 1 6 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 7 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 1 8 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 1 9 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 10 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 1 12 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 1 14 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 1 15 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 1 16 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 1 17 Na 0.25000000000000 0.12500000000000 0.00000000000000 22.990 > 1 18 Na 0.75000000000000 0.12500000000000 0.00000000000000 22.990 > 1 19 Na 0.25000000000000 0.37500000000000 0.00000000000000 22.990 > 1 20 Na 0.75000000000000 0.37500000000000 0.00000000000000 22.990 > 1 21 Na 0.25000000000000 0.62500000000000 0.00000000000000 22.990 > 1 22 Na 0.75000000000000 0.62500000000000 0.00000000000000 22.990 > 1 23 Na 0.25000000000000 0.87500000000000 0.00000000000000 22.990 > 1 24 Na 0.75000000000000 0.87500000000000 0.00000000000000 22.990 > 1 25 Na 0.25000000000000 0.12500000000000 0.50000000000000 22.990 > 1 26 Na 0.75000000000000 0.12500000000000 0.50000000000000 22.990 > 1 27 Na 0.25000000000000 0.37500000000000 0.50000000000000 22.990 > 1 28 Na 0.75000000000000 0.37500000000000 0.50000000000000 22.990 > 1 29 Na 0.25000000000000 0.62500000000000 0.50000000000000 22.990 > 1 30 Na 0.75000000000000 0.62500000000000 0.50000000000000 22.990 > 1 31 Na 0.25000000000000 0.87500000000000 0.50000000000000 22.990 > 1 32 Na 0.75000000000000 0.87500000000000 0.50000000000000 22.990 > 1 *33 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 2 34 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 2 35 Ag 0.00000000000000 0.25000000000000 0.25000000000000 107.868 > 2 36 Ag 0.50000000000000 0.25000000000000 0.25000000000000 107.868 > 2 37 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 2 38 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 2 39 Ag 0.00000000000000 0.75000000000000 0.25000000000000 107.868 > 2 40 Ag 0.50000000000000 0.75000000000000 0.25000000000000 107.868 > 2 41 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 2 42 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 2 43 Ag 0.00000000000000 0.25000000000000 0.75000000000000 107.868 > 2 44 Ag 0.50000000000000 0.25000000000000 0.75000000000000 107.868 > 2 45 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 2 46 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 2 47 Ag 0.00000000000000 0.75000000000000 0.75000000000000 107.868 > 2 48 Ag 0.50000000000000 0.75000000000000 0.75000000000000 107.868 > 2 49 Ag 0.25000000000000 0.12500000000000 0.25000000000000 107.868 > 2 50 Ag 0.75000000000000 0.12500000000000 0.25000000000000 107.868 > 2 51 Ag 0.25000000000000 0.37500000000000 0.25000000000000 107.868 > 2 52 Ag 0.75000000000000 0.37500000000000 0.25000000000000 107.868 > 2 53 Ag 0.25000000000000 0.62500000000000 0.25000000000000 107.868 > 2 54 Ag 0.75000000000000 0.62500000000000 0.25000000000000 107.868 > 2 55 Ag 0.25000000000000 0.87500000000000 0.25000000000000 107.868 > 2 56 Ag 0.75000000000000 0.87500000000000 0.25000000000000 107.868 > 2 57 Ag 0.25000000000000 0.12500000000000 0.75000000000000 107.868 > 2 58 Ag 0.75000000000000 0.12500000000000 0.75000000000000 107.868 > 2 59 Ag 0.25000000000000 0.37500000000000 0.75000000000000 107.868 > 2 60 Ag 0.75000000000000 0.37500000000000 0.75000000000000 107.868 > 2 61 Ag 0.25000000000000 0.62500000000000 0.75000000000000 107.868 > 2 62 Ag 0.75000000000000 0.62500000000000 0.75000000000000 107.868 > 2 63 Ag 0.25000000000000 0.87500000000000 0.75000000000000 107.868 > 2 64 Ag 0.75000000000000 0.87500000000000 0.75000000000000 107.868 > 2 *65 O 0.03810844194899 0.12500000000000 0.37173860053952 15.999 > 3 66 O 0.53810844194898 0.12500000000000 0.37173860053952 15.999 > 3 67 O 0.03810844194899 0.37500000000000 0.37173860053952 15.999 > 3 68 O 0.53810844194898 0.37500000000000 0.37173860053952 15.999 > 3 69 O 0.03810844194899 0.62500000000000 0.37173860053952 15.999 > 3 70 O 0.53810844194898 0.62500000000000 0.37173860053952 15.999 > 3 71 O 0.03810844194899 0.87500000000000 0.37173860053952 15.999 > 3 72 O 0.53810844194898 0.87500000000000 0.37173860053952 15.999 > 3 73 O 0.03810844194899 0.12500000000000 0.87173860053952 15.999 > 3 74 O 0.53810844194898 0.12500000000000 0.87173860053952 15.999 > 3 75 O 0.03810844194899 0.37500000000000 0.87173860053952 15.999 > 3 76 O 0.53810844194898 0.37500000000000 0.87173860053952 15.999 > 3 77 O 0.03810844194899 0.62500000000000 0.87173860053952 15.999 > 3 78 O 0.53810844194898 0.62500000000000 0.87173860053952 15.999 > 3 79 O 0.03810844194899 0.87500000000000 0.87173860053952 15.999 > 3 80 O 0.53810844194898 0.87500000000000 0.87173860053952 15.999 > 3 81 O 0.46189155805102 0.12500000000000 0.12826139946048 15.999 > 4 82 O 0.96189155805102 0.12500000000000 0.12826139946048 15.999 > 4 83 O 0.46189155805102 0.37500000000000 0.12826139946048 15.999 > 4 84 O 0.96189155805102 0.37500000000000 0.12826139946048 15.999 > 4 85 O 0.46189155805102 0.62500000000000 0.12826139946048 15.999 > 4 86 O 0.96189155805102 0.62500000000000 0.12826139946048 15.999 > 4 87 O 0.46189155805102 0.87500000000000 0.12826139946048 15.999 > 4 88 O 0.96189155805102 0.87500000000000 0.12826139946048 15.999 > 4 89 O 0.46189155805102 0.12500000000000 0.62826139946048 15.999 > 4 90 O 0.96189155805102 0.12500000000000 0.62826139946048 15.999 > 4 91 O 0.46189155805102 0.37500000000000 0.62826139946048 15.999 > 4 92 O 0.96189155805102 0.37500000000000 0.62826139946048 15.999 > 4 93 O 0.46189155805102 0.62500000000000 0.62826139946048 15.999 > 4 94 O 0.96189155805102 0.62500000000000 0.62826139946048 15.999 > 4 95 O 0.46189155805102 0.87500000000000 0.62826139946048 15.999 > 4 96 O 0.96189155805102 0.87500000000000 0.62826139946048 15.999 > 4 97 O 0.28810844194898 0.00000000000000 0.37173860053952 15.999 > 3 98 O 0.78810844194898 0.00000000000000 0.37173860053952 15.999 > 3 99 O 0.28810844194898 0.25000000000000 0.37173860053952 15.999 > 3 100 O 0.78810844194898 0.25000000000000 0.37173860053952 15.999 > 3 101 O 0.28810844194898 0.50000000000000 0.37173860053952 15.999 > 3 102 O 0.78810844194898 0.50000000000000 0.37173860053952 15.999 > 3 103 O 0.28810844194898 0.75000000000000 0.37173860053952 15.999 > 3 104 O 0.78810844194898 0.75000000000000 0.37173860053952 15.999 > 3 105 O 0.28810844194898 0.00000000000000 0.87173860053952 15.999 > 3 106 O 0.78810844194898 0.00000000000000 0.87173860053952 15.999 > 3 107 O 0.28810844194898 0.25000000000000 0.87173860053952 15.999 > 3 108 O 0.78810844194898 0.25000000000000 0.87173860053952 15.999 > 3 109 O 0.28810844194898 0.50000000000000 0.87173860053952 15.999 > 3 110 O 0.78810844194898 0.50000000000000 0.87173860053952 15.999 > 3 111 O 0.28810844194898 0.75000000000000 0.87173860053952 15.999 > 3 112 O 0.78810844194898 0.75000000000000 0.87173860053952 15.999 > 3 113 O 0.21189155805102 0.00000000000000 0.12826139946048 15.999 > 4 114 O 0.71189155805102 0.00000000000000 0.12826139946048 15.999 > 4 115 O 0.21189155805102 0.25000000000000 0.12826139946048 15.999 > 4 116 O 0.71189155805102 0.25000000000000 0.12826139946048 15.999 > 4 117 O 0.21189155805102 0.50000000000000 0.12826139946048 15.999 > 4 118 O 0.71189155805102 0.50000000000000 0.12826139946048 15.999 > 4 119 O 0.21189155805102 0.75000000000000 0.12826139946048 15.999 > 4 120 O 0.71189155805102 0.75000000000000 0.12826139946048 15.999 > 4 121 O 0.21189155805102 0.00000000000000 0.62826139946048 15.999 > 4 122 O 0.71189155805102 0.00000000000000 0.62826139946048 15.999 > 4 123 O 0.21189155805102 0.25000000000000 0.62826139946048 15.999 > 4 124 O 0.71189155805102 0.25000000000000 0.62826139946048 15.999 > 4 125 O 0.21189155805102 0.50000000000000 0.62826139946048 15.999 > 4 126 O 0.71189155805102 0.50000000000000 0.62826139946048 15.999 > 4 127 O 0.21189155805102 0.75000000000000 0.62826139946048 15.999 > 4 128 O 0.71189155805102 0.75000000000000 0.62826139946048 15.999 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2958244 0.0000000 -0.1848730 0.0000000 9.0304260 0.0000000 -0.1848734 0.0000000 4.9209284 -------------------------- Born effective charges -------------------------- 1 Na 1.0682687 0.0000000 -0.1171715 0.0000000 1.0309009 0.0000000 -0.1355950 0.0000000 1.5878851 2 Ag 0.8401645 0.0000000 -0.0511407 0.0000000 4.7814984 0.0000000 -0.3016848 0.0000000 0.8907314 3 O -0.9542166 0.0000000 0.0841561 0.0000000 -2.9061996 0.0000000 0.2186399 0.0000000 -1.2393082 4 O -0.9542166 0.0000000 0.0841561 0.0000000 -2.9061996 0.0000000 0.2186399 0.0000000 -1.2393082 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 3000/3000 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 710 Number of blocks in projector: 710 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 22 --- Eigsh_solver_block: 1 / 22 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 2 / 22 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 3 / 22 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 4 / 22 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 5 / 22 --- Block_size: 84 Use standard eigh solver. --- Eigsh_solver_block: 6 / 22 --- Block_size: 84 Use standard eigh solver. --- Eigsh_solver_block: 7 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 14 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 15 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 16 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 17 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 18 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 19 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 20 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 21 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 22 / 22 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (710, 696), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (84, 84), data: True |-- (84, 84), data: True |-- (118, 115), data: True |-- (118, 115), data: True |-- (118, 115), data: True |-- (172, 167), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.732 Solver_block: 160 / 160 - Time: 0.483 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.230 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 3000/3000 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 710 Number of blocks in projector: 710 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 22 --- Eigsh_solver_block: 1 / 22 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 2 / 22 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 3 / 22 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 4 / 22 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 5 / 22 --- Block_size: 84 Use standard eigh solver. --- Eigsh_solver_block: 6 / 22 --- Block_size: 84 Use standard eigh solver. --- Eigsh_solver_block: 7 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 14 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 15 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 16 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 17 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 18 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 19 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 20 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 21 / 22 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 22 / 22 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (710, 696), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (84, 84), data: True |-- (84, 84), data: True |-- (118, 115), data: True |-- (118, 115), data: True |-- (118, 115), data: True |-- (172, 167), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:22:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:22:43]------------------------- 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): [2 4 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.222477025936264 -1.489574165000001 0.000000000000000 b 3.222477025936264 1.489574165000001 0.000000000000000 c -3.085996057371895 0.000000000000000 5.403022221603250 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 3 O 0.57621688389797 0.57621688389797 0.74347720107904 15.999 4 O 0.42378311610203 0.42378311610203 0.25652279892096 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.889908103745057 0.000000000000000 0.000000000000000 b 0.000000000000000 11.916593320000004 0.000000000000000 c -6.171992114743790 0.000000000000000 10.806044443206501 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 1 4 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 1 5 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 1 6 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 7 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 1 8 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 1 9 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 10 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 1 12 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 1 14 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 1 15 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 1 16 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 1 17 Na 0.25000000000000 0.12500000000000 0.00000000000000 22.990 > 1 18 Na 0.75000000000000 0.12500000000000 0.00000000000000 22.990 > 1 19 Na 0.25000000000000 0.37500000000000 0.00000000000000 22.990 > 1 20 Na 0.75000000000000 0.37500000000000 0.00000000000000 22.990 > 1 21 Na 0.25000000000000 0.62500000000000 0.00000000000000 22.990 > 1 22 Na 0.75000000000000 0.62500000000000 0.00000000000000 22.990 > 1 23 Na 0.25000000000000 0.87500000000000 0.00000000000000 22.990 > 1 24 Na 0.75000000000000 0.87500000000000 0.00000000000000 22.990 > 1 25 Na 0.25000000000000 0.12500000000000 0.50000000000000 22.990 > 1 26 Na 0.75000000000000 0.12500000000000 0.50000000000000 22.990 > 1 27 Na 0.25000000000000 0.37500000000000 0.50000000000000 22.990 > 1 28 Na 0.75000000000000 0.37500000000000 0.50000000000000 22.990 > 1 29 Na 0.25000000000000 0.62500000000000 0.50000000000000 22.990 > 1 30 Na 0.75000000000000 0.62500000000000 0.50000000000000 22.990 > 1 31 Na 0.25000000000000 0.87500000000000 0.50000000000000 22.990 > 1 32 Na 0.75000000000000 0.87500000000000 0.50000000000000 22.990 > 1 33 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 33 34 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 33 35 Ag 0.00000000000000 0.25000000000000 0.25000000000000 107.868 > 33 36 Ag 0.50000000000000 0.25000000000000 0.25000000000000 107.868 > 33 37 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 33 38 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 33 39 Ag 0.00000000000000 0.75000000000000 0.25000000000000 107.868 > 33 40 Ag 0.50000000000000 0.75000000000000 0.25000000000000 107.868 > 33 41 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 33 42 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 33 43 Ag 0.00000000000000 0.25000000000000 0.75000000000000 107.868 > 33 44 Ag 0.50000000000000 0.25000000000000 0.75000000000000 107.868 > 33 45 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 33 46 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 33 47 Ag 0.00000000000000 0.75000000000000 0.75000000000000 107.868 > 33 48 Ag 0.50000000000000 0.75000000000000 0.75000000000000 107.868 > 33 49 Ag 0.25000000000000 0.12500000000000 0.25000000000000 107.868 > 33 50 Ag 0.75000000000000 0.12500000000000 0.25000000000000 107.868 > 33 51 Ag 0.25000000000000 0.37500000000000 0.25000000000000 107.868 > 33 52 Ag 0.75000000000000 0.37500000000000 0.25000000000000 107.868 > 33 53 Ag 0.25000000000000 0.62500000000000 0.25000000000000 107.868 > 33 54 Ag 0.75000000000000 0.62500000000000 0.25000000000000 107.868 > 33 55 Ag 0.25000000000000 0.87500000000000 0.25000000000000 107.868 > 33 56 Ag 0.75000000000000 0.87500000000000 0.25000000000000 107.868 > 33 57 Ag 0.25000000000000 0.12500000000000 0.75000000000000 107.868 > 33 58 Ag 0.75000000000000 0.12500000000000 0.75000000000000 107.868 > 33 59 Ag 0.25000000000000 0.37500000000000 0.75000000000000 107.868 > 33 60 Ag 0.75000000000000 0.37500000000000 0.75000000000000 107.868 > 33 61 Ag 0.25000000000000 0.62500000000000 0.75000000000000 107.868 > 33 62 Ag 0.75000000000000 0.62500000000000 0.75000000000000 107.868 > 33 63 Ag 0.25000000000000 0.87500000000000 0.75000000000000 107.868 > 33 64 Ag 0.75000000000000 0.87500000000000 0.75000000000000 107.868 > 33 65 O 0.03810844194899 0.12500000000000 0.37173860053952 15.999 > 65 66 O 0.53810844194898 0.12500000000000 0.37173860053952 15.999 > 65 67 O 0.03810844194899 0.37500000000000 0.37173860053952 15.999 > 65 68 O 0.53810844194898 0.37500000000000 0.37173860053952 15.999 > 65 69 O 0.03810844194899 0.62500000000000 0.37173860053952 15.999 > 65 70 O 0.53810844194898 0.62500000000000 0.37173860053952 15.999 > 65 71 O 0.03810844194899 0.87500000000000 0.37173860053952 15.999 > 65 72 O 0.53810844194898 0.87500000000000 0.37173860053952 15.999 > 65 73 O 0.03810844194899 0.12500000000000 0.87173860053952 15.999 > 65 74 O 0.53810844194898 0.12500000000000 0.87173860053952 15.999 > 65 75 O 0.03810844194899 0.37500000000000 0.87173860053952 15.999 > 65 76 O 0.53810844194898 0.37500000000000 0.87173860053952 15.999 > 65 77 O 0.03810844194899 0.62500000000000 0.87173860053952 15.999 > 65 78 O 0.53810844194898 0.62500000000000 0.87173860053952 15.999 > 65 79 O 0.03810844194899 0.87500000000000 0.87173860053952 15.999 > 65 80 O 0.53810844194898 0.87500000000000 0.87173860053952 15.999 > 65 81 O 0.46189155805102 0.12500000000000 0.12826139946048 15.999 > 81 82 O 0.96189155805102 0.12500000000000 0.12826139946048 15.999 > 81 83 O 0.46189155805102 0.37500000000000 0.12826139946048 15.999 > 81 84 O 0.96189155805102 0.37500000000000 0.12826139946048 15.999 > 81 85 O 0.46189155805102 0.62500000000000 0.12826139946048 15.999 > 81 86 O 0.96189155805102 0.62500000000000 0.12826139946048 15.999 > 81 87 O 0.46189155805102 0.87500000000000 0.12826139946048 15.999 > 81 88 O 0.96189155805102 0.87500000000000 0.12826139946048 15.999 > 81 89 O 0.46189155805102 0.12500000000000 0.62826139946048 15.999 > 81 90 O 0.96189155805102 0.12500000000000 0.62826139946048 15.999 > 81 91 O 0.46189155805102 0.37500000000000 0.62826139946048 15.999 > 81 92 O 0.96189155805102 0.37500000000000 0.62826139946048 15.999 > 81 93 O 0.46189155805102 0.62500000000000 0.62826139946048 15.999 > 81 94 O 0.96189155805102 0.62500000000000 0.62826139946048 15.999 > 81 95 O 0.46189155805102 0.87500000000000 0.62826139946048 15.999 > 81 96 O 0.96189155805102 0.87500000000000 0.62826139946048 15.999 > 81 97 O 0.28810844194898 0.00000000000000 0.37173860053952 15.999 > 65 98 O 0.78810844194898 0.00000000000000 0.37173860053952 15.999 > 65 99 O 0.28810844194898 0.25000000000000 0.37173860053952 15.999 > 65 100 O 0.78810844194898 0.25000000000000 0.37173860053952 15.999 > 65 101 O 0.28810844194898 0.50000000000000 0.37173860053952 15.999 > 65 102 O 0.78810844194898 0.50000000000000 0.37173860053952 15.999 > 65 103 O 0.28810844194898 0.75000000000000 0.37173860053952 15.999 > 65 104 O 0.78810844194898 0.75000000000000 0.37173860053952 15.999 > 65 105 O 0.28810844194898 0.00000000000000 0.87173860053952 15.999 > 65 106 O 0.78810844194898 0.00000000000000 0.87173860053952 15.999 > 65 107 O 0.28810844194898 0.25000000000000 0.87173860053952 15.999 > 65 108 O 0.78810844194898 0.25000000000000 0.87173860053952 15.999 > 65 109 O 0.28810844194898 0.50000000000000 0.87173860053952 15.999 > 65 110 O 0.78810844194898 0.50000000000000 0.87173860053952 15.999 > 65 111 O 0.28810844194898 0.75000000000000 0.87173860053952 15.999 > 65 112 O 0.78810844194898 0.75000000000000 0.87173860053952 15.999 > 65 113 O 0.21189155805102 0.00000000000000 0.12826139946048 15.999 > 81 114 O 0.71189155805102 0.00000000000000 0.12826139946048 15.999 > 81 115 O 0.21189155805102 0.25000000000000 0.12826139946048 15.999 > 81 116 O 0.71189155805102 0.25000000000000 0.12826139946048 15.999 > 81 117 O 0.21189155805102 0.50000000000000 0.12826139946048 15.999 > 81 118 O 0.71189155805102 0.50000000000000 0.12826139946048 15.999 > 81 119 O 0.21189155805102 0.75000000000000 0.12826139946048 15.999 > 81 120 O 0.71189155805102 0.75000000000000 0.12826139946048 15.999 > 81 121 O 0.21189155805102 0.00000000000000 0.62826139946048 15.999 > 81 122 O 0.71189155805102 0.00000000000000 0.62826139946048 15.999 > 81 123 O 0.21189155805102 0.25000000000000 0.62826139946048 15.999 > 81 124 O 0.71189155805102 0.25000000000000 0.62826139946048 15.999 > 81 125 O 0.21189155805102 0.50000000000000 0.62826139946048 15.999 > 81 126 O 0.71189155805102 0.50000000000000 0.62826139946048 15.999 > 81 127 O 0.21189155805102 0.75000000000000 0.62826139946048 15.999 > 81 128 O 0.71189155805102 0.75000000000000 0.62826139946048 15.999 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2958244 0.0000000 -0.1848730 0.0000000 9.0304260 0.0000000 -0.1848734 0.0000000 4.9209284 -------------------------- Born effective charges -------------------------- 1 Na 1.0682687 0.0000000 -0.1171715 0.0000000 1.0309009 0.0000000 -0.1355950 0.0000000 1.5878851 2 Ag 0.8401645 0.0000000 -0.0511407 0.0000000 4.7814984 0.0000000 -0.3016848 0.0000000 0.8907314 3 O -0.9542166 0.0000000 0.0841561 0.0000000 -2.9061996 0.0000000 0.2186399 0.0000000 -1.2393082 4 O -0.9542166 0.0000000 0.0841561 0.0000000 -2.9061996 0.0000000 0.2186399 0.0000000 -1.2393082 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (zzz) 0.00000007 (zzz) 0.00000007 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (xz) 0.00000005 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:22:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:22:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 4 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.222477025936264 -1.489574165000001 0.000000000000000 b 3.222477025936264 1.489574165000001 0.000000000000000 c -3.085996057371895 0.000000000000000 5.403022221603250 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 3 O 0.57621688389797 0.57621688389797 0.74347720107904 15.999 4 O 0.42378311610203 0.42378311610203 0.25652279892096 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.889908103745057 0.000000000000000 0.000000000000000 b 0.000000000000000 11.916593320000004 0.000000000000000 c -6.171992114743790 0.000000000000000 10.806044443206501 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 1 4 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 1 5 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 1 6 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 7 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 1 8 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 1 9 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 10 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 1 12 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 1 14 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 1 15 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 1 16 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 1 17 Na 0.25000000000000 0.12500000000000 0.00000000000000 22.990 > 1 18 Na 0.75000000000000 0.12500000000000 0.00000000000000 22.990 > 1 19 Na 0.25000000000000 0.37500000000000 0.00000000000000 22.990 > 1 20 Na 0.75000000000000 0.37500000000000 0.00000000000000 22.990 > 1 21 Na 0.25000000000000 0.62500000000000 0.00000000000000 22.990 > 1 22 Na 0.75000000000000 0.62500000000000 0.00000000000000 22.990 > 1 23 Na 0.25000000000000 0.87500000000000 0.00000000000000 22.990 > 1 24 Na 0.75000000000000 0.87500000000000 0.00000000000000 22.990 > 1 25 Na 0.25000000000000 0.12500000000000 0.50000000000000 22.990 > 1 26 Na 0.75000000000000 0.12500000000000 0.50000000000000 22.990 > 1 27 Na 0.25000000000000 0.37500000000000 0.50000000000000 22.990 > 1 28 Na 0.75000000000000 0.37500000000000 0.50000000000000 22.990 > 1 29 Na 0.25000000000000 0.62500000000000 0.50000000000000 22.990 > 1 30 Na 0.75000000000000 0.62500000000000 0.50000000000000 22.990 > 1 31 Na 0.25000000000000 0.87500000000000 0.50000000000000 22.990 > 1 32 Na 0.75000000000000 0.87500000000000 0.50000000000000 22.990 > 1 33 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 33 34 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 33 35 Ag 0.00000000000000 0.25000000000000 0.25000000000000 107.868 > 33 36 Ag 0.50000000000000 0.25000000000000 0.25000000000000 107.868 > 33 37 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 33 38 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 33 39 Ag 0.00000000000000 0.75000000000000 0.25000000000000 107.868 > 33 40 Ag 0.50000000000000 0.75000000000000 0.25000000000000 107.868 > 33 41 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 33 42 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 33 43 Ag 0.00000000000000 0.25000000000000 0.75000000000000 107.868 > 33 44 Ag 0.50000000000000 0.25000000000000 0.75000000000000 107.868 > 33 45 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 33 46 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 33 47 Ag 0.00000000000000 0.75000000000000 0.75000000000000 107.868 > 33 48 Ag 0.50000000000000 0.75000000000000 0.75000000000000 107.868 > 33 49 Ag 0.25000000000000 0.12500000000000 0.25000000000000 107.868 > 33 50 Ag 0.75000000000000 0.12500000000000 0.25000000000000 107.868 > 33 51 Ag 0.25000000000000 0.37500000000000 0.25000000000000 107.868 > 33 52 Ag 0.75000000000000 0.37500000000000 0.25000000000000 107.868 > 33 53 Ag 0.25000000000000 0.62500000000000 0.25000000000000 107.868 > 33 54 Ag 0.75000000000000 0.62500000000000 0.25000000000000 107.868 > 33 55 Ag 0.25000000000000 0.87500000000000 0.25000000000000 107.868 > 33 56 Ag 0.75000000000000 0.87500000000000 0.25000000000000 107.868 > 33 57 Ag 0.25000000000000 0.12500000000000 0.75000000000000 107.868 > 33 58 Ag 0.75000000000000 0.12500000000000 0.75000000000000 107.868 > 33 59 Ag 0.25000000000000 0.37500000000000 0.75000000000000 107.868 > 33 60 Ag 0.75000000000000 0.37500000000000 0.75000000000000 107.868 > 33 61 Ag 0.25000000000000 0.62500000000000 0.75000000000000 107.868 > 33 62 Ag 0.75000000000000 0.62500000000000 0.75000000000000 107.868 > 33 63 Ag 0.25000000000000 0.87500000000000 0.75000000000000 107.868 > 33 64 Ag 0.75000000000000 0.87500000000000 0.75000000000000 107.868 > 33 65 O 0.03810844194899 0.12500000000000 0.37173860053952 15.999 > 65 66 O 0.53810844194898 0.12500000000000 0.37173860053952 15.999 > 65 67 O 0.03810844194899 0.37500000000000 0.37173860053952 15.999 > 65 68 O 0.53810844194898 0.37500000000000 0.37173860053952 15.999 > 65 69 O 0.03810844194899 0.62500000000000 0.37173860053952 15.999 > 65 70 O 0.53810844194898 0.62500000000000 0.37173860053952 15.999 > 65 71 O 0.03810844194899 0.87500000000000 0.37173860053952 15.999 > 65 72 O 0.53810844194898 0.87500000000000 0.37173860053952 15.999 > 65 73 O 0.03810844194899 0.12500000000000 0.87173860053952 15.999 > 65 74 O 0.53810844194898 0.12500000000000 0.87173860053952 15.999 > 65 75 O 0.03810844194899 0.37500000000000 0.87173860053952 15.999 > 65 76 O 0.53810844194898 0.37500000000000 0.87173860053952 15.999 > 65 77 O 0.03810844194899 0.62500000000000 0.87173860053952 15.999 > 65 78 O 0.53810844194898 0.62500000000000 0.87173860053952 15.999 > 65 79 O 0.03810844194899 0.87500000000000 0.87173860053952 15.999 > 65 80 O 0.53810844194898 0.87500000000000 0.87173860053952 15.999 > 65 81 O 0.46189155805102 0.12500000000000 0.12826139946048 15.999 > 81 82 O 0.96189155805102 0.12500000000000 0.12826139946048 15.999 > 81 83 O 0.46189155805102 0.37500000000000 0.12826139946048 15.999 > 81 84 O 0.96189155805102 0.37500000000000 0.12826139946048 15.999 > 81 85 O 0.46189155805102 0.62500000000000 0.12826139946048 15.999 > 81 86 O 0.96189155805102 0.62500000000000 0.12826139946048 15.999 > 81 87 O 0.46189155805102 0.87500000000000 0.12826139946048 15.999 > 81 88 O 0.96189155805102 0.87500000000000 0.12826139946048 15.999 > 81 89 O 0.46189155805102 0.12500000000000 0.62826139946048 15.999 > 81 90 O 0.96189155805102 0.12500000000000 0.62826139946048 15.999 > 81 91 O 0.46189155805102 0.37500000000000 0.62826139946048 15.999 > 81 92 O 0.96189155805102 0.37500000000000 0.62826139946048 15.999 > 81 93 O 0.46189155805102 0.62500000000000 0.62826139946048 15.999 > 81 94 O 0.96189155805102 0.62500000000000 0.62826139946048 15.999 > 81 95 O 0.46189155805102 0.87500000000000 0.62826139946048 15.999 > 81 96 O 0.96189155805102 0.87500000000000 0.62826139946048 15.999 > 81 97 O 0.28810844194898 0.00000000000000 0.37173860053952 15.999 > 65 98 O 0.78810844194898 0.00000000000000 0.37173860053952 15.999 > 65 99 O 0.28810844194898 0.25000000000000 0.37173860053952 15.999 > 65 100 O 0.78810844194898 0.25000000000000 0.37173860053952 15.999 > 65 101 O 0.28810844194898 0.50000000000000 0.37173860053952 15.999 > 65 102 O 0.78810844194898 0.50000000000000 0.37173860053952 15.999 > 65 103 O 0.28810844194898 0.75000000000000 0.37173860053952 15.999 > 65 104 O 0.78810844194898 0.75000000000000 0.37173860053952 15.999 > 65 105 O 0.28810844194898 0.00000000000000 0.87173860053952 15.999 > 65 106 O 0.78810844194898 0.00000000000000 0.87173860053952 15.999 > 65 107 O 0.28810844194898 0.25000000000000 0.87173860053952 15.999 > 65 108 O 0.78810844194898 0.25000000000000 0.87173860053952 15.999 > 65 109 O 0.28810844194898 0.50000000000000 0.87173860053952 15.999 > 65 110 O 0.78810844194898 0.50000000000000 0.87173860053952 15.999 > 65 111 O 0.28810844194898 0.75000000000000 0.87173860053952 15.999 > 65 112 O 0.78810844194898 0.75000000000000 0.87173860053952 15.999 > 65 113 O 0.21189155805102 0.00000000000000 0.12826139946048 15.999 > 81 114 O 0.71189155805102 0.00000000000000 0.12826139946048 15.999 > 81 115 O 0.21189155805102 0.25000000000000 0.12826139946048 15.999 > 81 116 O 0.71189155805102 0.25000000000000 0.12826139946048 15.999 > 81 117 O 0.21189155805102 0.50000000000000 0.12826139946048 15.999 > 81 118 O 0.71189155805102 0.50000000000000 0.12826139946048 15.999 > 81 119 O 0.21189155805102 0.75000000000000 0.12826139946048 15.999 > 81 120 O 0.71189155805102 0.75000000000000 0.12826139946048 15.999 > 81 121 O 0.21189155805102 0.00000000000000 0.62826139946048 15.999 > 81 122 O 0.71189155805102 0.00000000000000 0.62826139946048 15.999 > 81 123 O 0.21189155805102 0.25000000000000 0.62826139946048 15.999 > 81 124 O 0.71189155805102 0.25000000000000 0.62826139946048 15.999 > 81 125 O 0.21189155805102 0.50000000000000 0.62826139946048 15.999 > 81 126 O 0.71189155805102 0.50000000000000 0.62826139946048 15.999 > 81 127 O 0.21189155805102 0.75000000000000 0.62826139946048 15.999 > 81 128 O 0.71189155805102 0.75000000000000 0.62826139946048 15.999 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2958244 0.0000000 -0.1848730 0.0000000 9.0304260 0.0000000 -0.1848734 0.0000000 4.9209284 -------------------------- Born effective charges -------------------------- 1 Na 1.0682687 0.0000000 -0.1171715 0.0000000 1.0309009 0.0000000 -0.1355950 0.0000000 1.5878851 2 Ag 0.8401645 0.0000000 -0.0511407 0.0000000 4.7814984 0.0000000 -0.3016848 0.0000000 0.8907314 3 O -0.9542166 0.0000000 0.0841561 0.0000000 -2.9061996 0.0000000 0.2186399 0.0000000 -1.2393082 4 O -0.9542166 0.0000000 0.0841561 0.0000000 -2.9061996 0.0000000 0.2186399 0.0000000 -1.2393082 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (zzz) 0.00000007 (zzz) 0.00000007 (zzz) 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 ... [ 19 19 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.11, Number of G-points: 291, Lambda: 0.28 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/860) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 6.864 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 14.020 ( 0.000 0.000 0.000) 0.000 15.938 ( 0.000 0.000 0.000) 0.000 16.014 ( 0.000 0.000 0.000) 0.000 17.285 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/860) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 18.223 -12.937 10.552) 24.714 0.495 ( 5.276 -25.968 3.581) 26.739 1.242 ( 1.524 -68.000 3.385) 68.102 4.326 ( -4.073 -11.475 -4.282) 12.908 4.857 ( 0.251 -7.324 -31.259) 32.107 5.207 ( 6.630 -6.835 32.035) 33.420 6.848 ( -3.130 4.672 9.301) 10.869 8.620 ( 24.473 16.400 -1.089) 29.480 14.085 ( 0.035 -6.880 0.481) 6.897 16.011 ( -0.917 -0.341 -0.945) 1.360 17.178 ( 0.935 10.406 -4.047) 11.204 19.096 ( -44.429 -23.337 -25.388) 56.241 ======================= Grid point 2 (3/860) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 19.209 -13.496 10.789) 25.836 1.057 ( 3.581 -31.924 4.050) 32.378 2.448 ( 1.294 -65.135 3.215) 65.227 4.533 ( -2.287 -16.908 -8.464) 19.046 4.865 ( 2.802 -6.317 -18.732) 19.966 5.629 ( 7.626 -18.440 23.529) 30.851 6.759 ( -2.435 5.904 3.319) 7.197 8.485 ( 12.241 14.751 -2.233) 19.299 14.253 ( 0.175 -11.161 0.703) 11.184 16.003 ( -1.468 -0.720 -2.375) 2.884 16.896 ( 0.054 20.637 0.961) 20.660 18.990 ( -21.576 -5.401 -13.603) 26.072 ======================= Grid point 3 (4/860) ======================= q-point: ( 0.16 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 18.629 -13.818 11.806) 26.026 1.721 ( 2.714 -38.191 3.351) 38.434 3.584 ( 0.800 -60.456 2.787) 60.526 4.701 ( 1.385 -8.239 -18.952) 20.712 5.037 ( 2.049 -17.495 -1.817) 17.708 6.151 ( 6.234 -21.830 15.017) 27.220 6.651 ( -0.847 4.865 2.042) 5.344 8.289 ( 9.052 15.547 -2.910) 18.224 14.461 ( 0.465 -10.913 0.427) 10.931 15.988 ( -1.360 -0.416 -4.805) 5.011 16.484 ( -0.617 26.147 4.786) 26.588 18.805 ( -13.952 3.640 -10.347) 17.747 ======================= Grid point 4 (5/860) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 16.630 -14.346 12.629) 25.335 2.468 ( 2.385 -42.137 1.737) 42.241 4.519 ( -2.221 -30.897 -4.646) 31.323 4.823 ( 7.907 -24.964 -7.991) 27.378 5.421 ( 0.362 -24.189 -2.263) 24.297 6.409 ( -2.873 1.519 2.338) 4.004 6.794 ( 7.677 -16.984 7.711) 20.171 8.077 ( 8.239 14.166 -2.435) 16.568 14.606 ( 0.721 -3.081 0.060) 3.165 15.893 ( -0.125 11.765 -5.757) 13.099 16.111 ( -1.644 11.998 6.244) 13.625 18.536 ( -10.296 10.271 -9.350) 17.289 ======================= Grid point 5 (6/860) ======================= q-point: ( 0.26 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 13.386 -15.553 12.405) 23.978 3.242 ( 2.339 -42.006 -0.186) 42.071 4.615 ( 3.021 -0.140 -9.120) 9.609 5.582 ( 5.182 -35.186 1.813) 35.612 5.880 ( 0.439 -32.698 -7.749) 33.607 6.335 ( -3.293 1.703 2.963) 4.745 7.125 ( 6.355 -6.707 0.264) 9.243 7.968 ( 7.709 2.461 2.046) 8.347 14.511 ( 0.213 15.958 2.156) 16.105 15.641 ( 0.487 9.283 -1.598) 9.432 16.048 ( -0.846 -0.138 0.226) 0.886 18.190 ( -8.264 15.181 -9.367) 19.660 ======================= Grid point 6 (7/860) ======================= q-point: ( 0.32 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 8.928 -17.437 10.521) 22.236 3.944 ( 2.764 -33.086 -0.965) 33.215 4.623 ( 5.342 -2.675 -4.425) 7.434 5.969 ( 1.693 -9.217 -5.294) 10.763 6.226 ( 2.210 -4.470 -2.453) 5.557 6.688 ( -0.455 -41.142 0.087) 41.145 7.105 ( 3.994 8.186 -5.434) 10.606 8.154 ( 6.039 -11.909 6.105) 14.683 14.115 ( -0.742 28.126 6.061) 28.781 15.565 ( 1.312 0.339 -4.993) 5.174 16.065 ( 0.235 -1.523 1.006) 1.840 17.788 ( -6.943 17.753 -9.970) 21.512 ======================= Grid point 7 (8/860) ======================= q-point: ( 0.37 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 3.380 -18.469 6.344) 19.818 4.329 ( 6.690 -5.738 4.834) 10.052 4.868 ( 4.446 -22.128 -3.491) 22.839 5.992 ( 0.751 1.299 -5.264) 5.474 6.273 ( 3.045 2.761 -8.848) 9.756 6.941 ( 0.284 2.506 -3.063) 3.968 7.436 ( 1.241 -36.786 -0.288) 36.808 8.447 ( 4.097 -12.151 5.200) 13.837 13.638 ( -1.193 27.156 7.772) 28.271 15.560 ( 1.465 -1.192 -6.432) 6.704 16.102 ( 1.164 -0.386 3.012) 3.252 17.379 ( -5.750 16.566 -10.499) 20.439 ======================= Grid point 8 (9/860) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( -1.460 -14.564 0.720) 14.654 4.474 ( 9.670 -1.489 12.367) 15.769 5.274 ( 3.226 -18.852 -2.244) 19.258 5.940 ( 1.458 3.108 -5.446) 6.437 6.068 ( -0.091 12.392 -13.657) 18.441 6.974 ( -0.971 -5.124 1.076) 5.325 8.005 ( 1.211 -25.606 -0.745) 25.645 8.674 ( 2.365 -8.057 3.276) 9.013 13.245 ( -1.070 19.260 6.504) 20.356 15.574 ( 1.103 -2.297 -4.507) 5.177 16.102 ( 1.325 3.626 3.348) 5.110 17.046 ( -4.025 10.384 -9.006) 14.323 ======================= Grid point 9 (10/860) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( -1.470 -5.059 -0.958) 5.355 4.651 ( 5.199 -3.384 8.816) 10.780 5.532 ( 2.916 -7.690 2.928) 8.730 5.737 ( -1.731 9.476 -13.249) 16.381 5.936 ( -0.457 0.866 -0.883) 1.319 7.051 ( -0.382 -2.672 0.616) 2.768 8.323 ( 0.490 -9.228 -0.347) 9.248 8.794 ( 0.776 -2.788 1.113) 3.101 13.024 ( -0.432 7.006 2.546) 7.467 15.612 ( 0.430 -2.081 -1.403) 2.546 16.041 ( 0.485 3.825 1.223) 4.045 16.880 ( -1.407 2.794 -3.529) 4.716 ======================= Grid point 20 (11/860) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.294 ( 11.168 -0.000 11.653) 16.141 0.364 ( 11.696 -0.000 17.931) 21.408 0.606 ( 27.306 -0.000 17.188) 32.265 4.052 ( 0.365 -0.000 -0.256) 0.446 4.642 ( 3.593 -0.000 -33.827) 34.018 5.392 ( 8.941 -0.000 31.022) 32.285 6.976 ( -20.276 0.000 33.071) 38.792 10.176 ( 44.418 -0.000 -84.924) 95.839 14.019 ( 0.422 -0.000 -0.937) 1.028 15.950 ( 0.509 -0.000 1.603) 1.682 15.992 ( -1.326 0.000 -2.322) 2.674 17.445 ( -22.397 0.000 41.909) 47.518 ======================= Grid point 21 (12/860) ======================= q-point: ( 0.11 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 9.437 -18.164 9.237) 22.457 0.892 ( 22.675 -10.926 11.428) 27.643 1.363 ( 6.110 -59.011 10.481) 60.245 4.212 ( -2.146 -13.109 -6.081) 14.609 4.617 ( 5.137 -9.374 -29.842) 31.699 5.652 ( 11.671 -4.727 30.476) 32.974 6.871 ( -7.485 7.182 13.146) 16.745 9.101 ( 32.745 47.204 -10.753) 58.447 14.092 ( 0.095 -7.126 0.689) 7.160 15.966 ( -2.449 -0.333 -2.626) 3.606 17.102 ( 0.469 -6.055 -18.336) 19.316 18.016 ( -48.438 -68.743 -6.410) 84.338 ======================= Grid point 22 (13/860) ======================= q-point: ( 0.16 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 7.281 -26.474 4.346) 27.799 1.324 ( 20.954 -11.505 15.491) 28.485 2.523 ( 2.645 -62.194 5.953) 62.534 4.404 ( 1.211 -14.075 -15.232) 20.775 4.756 ( 3.926 -14.258 -16.146) 21.895 6.029 ( 12.170 -11.408 25.445) 30.425 6.746 ( -3.861 6.273 5.101) 8.960 8.692 ( 16.345 23.125 -6.198) 28.989 14.265 ( 0.284 -11.224 0.870) 11.261 15.939 ( -2.455 -0.696 -4.198) 4.913 16.906 ( -0.139 18.452 1.049) 18.482 18.427 ( -27.536 -24.643 -14.511) 39.700 ======================= Grid point 23 (14/860) ======================= q-point: ( 0.21 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 15.201 -16.984 5.833) 23.527 1.850 ( 8.298 -29.296 11.924) 32.700 3.629 ( 0.993 -57.776 3.358) 57.882 4.568 ( 5.395 -11.423 -20.137) 23.772 5.035 ( 1.840 -19.676 -4.802) 20.337 6.403 ( 4.678 -5.716 13.796) 15.649 6.701 ( 4.513 -3.998 7.194) 9.386 8.417 ( 10.759 18.100 -5.615) 21.792 14.474 ( 0.655 -10.857 0.301) 10.881 15.909 ( -1.736 -0.398 -6.254) 6.503 16.522 ( -1.179 25.077 6.398) 25.907 18.431 ( -17.485 -5.467 -12.638) 22.256 ======================= Grid point 24 (15/860) ======================= q-point: ( 0.26 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 13.946 -13.095 9.662) 21.432 2.551 ( 4.697 -38.395 4.611) 38.955 4.431 ( 0.204 -22.811 -9.297) 24.634 4.894 ( 8.073 -37.393 -5.016) 38.582 5.404 ( 0.968 -22.079 -3.509) 22.377 6.394 ( -2.395 4.940 3.326) 6.419 7.036 ( 11.563 -13.167 10.260) 20.306 8.179 ( 7.966 13.861 -4.809) 16.695 14.620 ( 0.976 -3.262 -0.063) 3.405 15.835 ( -0.150 6.818 -6.038) 9.109 16.140 ( -2.252 16.158 6.768) 17.663 18.249 ( -12.381 5.330 -11.531) 17.739 ======================= Grid point 25 (16/860) ======================= q-point: ( 0.32 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 9.488 -13.171 8.367) 18.262 3.297 ( 4.138 -39.830 0.964) 40.056 4.581 ( 4.546 -4.760 -9.631) 11.666 5.693 ( 5.424 -28.041 1.948) 28.628 5.822 ( 1.920 -37.152 -7.959) 38.043 6.320 ( -2.671 1.377 4.042) 5.036 7.275 ( 10.513 2.914 1.947) 11.082 8.085 ( 5.391 -1.106 -0.241) 5.508 14.540 ( 0.413 14.860 2.983) 15.162 15.633 ( 0.601 9.473 -2.029) 9.707 16.031 ( -1.290 -0.630 -0.172) 1.446 17.947 ( -9.398 12.395 -11.119) 19.120 ======================= Grid point 26 (17/860) ======================= q-point: ( 0.37 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 4.272 -14.122 4.723) 15.492 4.001 ( 4.749 -34.061 -0.253) 34.391 4.670 ( 6.102 -5.398 -3.998) 9.075 5.953 ( 2.424 -5.996 -5.467) 8.468 6.270 ( 4.065 -4.070 0.239) 5.757 6.685 ( 0.198 -41.640 -0.126) 41.641 7.149 ( 6.186 13.662 -3.434) 15.386 8.279 ( 3.969 -12.345 3.197) 13.356 14.167 ( -0.758 27.645 7.621) 28.686 15.539 ( 1.459 1.301 -5.395) 5.738 16.072 ( 0.072 -3.898 -0.121) 3.900 17.570 ( -7.414 16.128 -11.225) 21.002 ======================= Grid point 27 (18/860) ======================= q-point: ( 0.42 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -0.594 -14.591 0.283) 14.606 4.494 ( 7.902 -12.950 4.662) 15.871 4.905 ( 4.068 -19.787 -3.597) 20.519 5.972 ( 1.933 1.208 -3.883) 4.502 6.293 ( 7.541 9.385 -4.844) 12.978 6.915 ( -0.837 2.876 -1.872) 3.533 7.455 ( 1.628 -36.148 -0.495) 36.188 8.536 ( 2.519 -11.219 2.286) 11.723 13.695 ( -1.316 27.631 8.794) 29.026 15.529 ( 1.703 -1.337 -5.826) 6.215 16.142 ( 1.031 -2.229 1.734) 3.007 17.180 ( -5.793 14.820 -11.453) 19.605 ======================= Grid point 28 (19/860) ======================= q-point: ( 0.47 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( -3.347 -13.099 -2.427) 13.736 4.695 ( 7.091 -1.752 5.451) 9.114 5.300 ( 2.075 -20.394 -3.438) 20.785 5.942 ( 2.947 2.813 -2.756) 4.919 6.027 ( 6.496 19.976 -3.653) 21.321 6.955 ( -2.347 -6.427 0.536) 6.863 8.016 ( 1.203 -25.181 -1.038) 25.231 8.719 ( 0.987 -6.890 0.384) 6.971 13.288 ( -1.179 20.523 6.591) 21.588 15.559 ( 1.332 -2.989 -3.095) 4.504 16.148 ( 0.964 4.393 2.335) 5.067 16.896 ( -3.624 5.993 -9.596) 11.879 ======================= Grid point 29 (20/860) ======================= q-point: ( 0.53 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( -2.756 -8.953 -1.567) 9.498 4.679 ( -1.003 7.698 -8.211) 11.300 5.541 ( -0.463 -5.484 -4.165) 6.902 5.816 ( 9.715 7.125 13.305) 17.949 5.936 ( 1.149 0.158 -0.435) 1.239 7.036 ( -1.452 -3.546 -0.418) 3.854 8.325 ( 0.332 -8.834 -0.704) 8.868 8.793 ( -0.512 -1.558 -1.729) 2.383 13.038 ( -0.512 8.731 2.163) 9.010 15.614 ( 0.566 -2.363 0.108) 2.432 16.050 ( -0.137 5.506 0.006) 5.507 16.831 ( -0.632 -3.168 -3.326) 4.637 ======================= Grid point 30 (21/860) ======================= q-point: (-0.42 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( 0.630 1.678 1.040) 2.072 4.377 ( -10.163 9.290 -19.239) 23.659 5.497 ( -0.539 7.585 1.058) 7.678 5.928 ( 2.051 -0.953 7.414) 7.751 6.016 ( 6.042 -5.378 14.941) 16.990 7.038 ( -0.692 1.808 -1.545) 2.477 8.316 ( -0.583 9.542 -0.020) 9.560 8.748 ( -1.992 4.071 -3.837) 5.938 13.006 ( 0.316 -5.386 -2.594) 5.986 15.626 ( -0.241 1.708 2.774) 3.267 16.012 ( -0.975 -2.231 -2.357) 3.389 16.940 ( 1.912 -8.388 3.319) 9.221 ======================= Grid point 31 (22/860) ======================= q-point: (-0.37 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.356 ( -0.708 20.379 -4.620) 20.908 4.175 ( -11.305 -6.051 -12.708) 18.053 5.258 ( -1.810 19.636 3.124) 19.965 5.983 ( 0.985 -1.721 4.282) 4.719 6.253 ( 3.289 -5.411 18.282) 19.348 6.969 ( -0.207 3.503 -0.998) 3.648 7.992 ( -1.080 25.808 0.434) 25.835 8.583 ( -3.534 9.436 -5.846) 11.650 13.204 ( 0.877 -18.273 -5.637) 19.143 15.606 ( -0.775 1.767 5.453) 5.784 16.044 ( -1.463 -3.146 -4.251) 5.487 17.189 ( 3.833 -14.142 7.591) 16.502 ======================= Grid point 32 (23/860) ======================= q-point: (-0.32 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -6.795 23.398 -10.622) 26.580 4.188 ( -5.870 -3.253 -3.225) 7.446 4.833 ( -3.454 25.097 3.112) 25.524 6.046 ( 1.017 -1.343 5.503) 5.755 6.339 ( 0.361 5.910 8.476) 10.339 6.974 ( -0.319 -4.309 5.838) 7.263 7.420 ( -0.876 37.034 0.109) 37.045 8.308 ( -5.325 13.636 -7.735) 16.556 13.591 ( 0.968 -26.970 -6.023) 27.651 15.599 ( -1.112 1.577 6.310) 6.599 16.051 ( -1.091 -1.296 -3.787) 4.148 17.555 ( 4.895 -18.366 8.395) 20.778 ======================= Grid point 33 (24/860) ======================= q-point: (-0.26 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -10.705 20.857 -12.008) 26.340 3.923 ( -1.351 32.292 1.309) 32.347 4.569 ( -5.196 -0.731 2.731) 5.916 5.999 ( -0.008 15.797 4.140) 16.331 6.238 ( -0.505 2.479 3.813) 4.576 6.695 ( 0.785 41.069 -0.762) 41.083 7.131 ( -0.672 -4.907 8.764) 10.067 7.971 ( -7.619 12.229 -8.997) 16.987 14.078 ( 0.610 -28.616 -4.177) 28.925 15.588 ( -1.008 0.838 3.946) 4.158 16.049 ( -0.245 -0.644 -1.397) 1.557 17.973 ( 5.386 -19.342 7.430) 21.408 ======================= Grid point 34 (25/860) ======================= q-point: (-0.21 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -12.631 18.431 -11.338) 25.056 3.218 ( -1.171 43.437 0.483) 43.456 4.635 ( -2.929 -5.455 5.528) 8.300 5.504 ( -2.777 39.379 -0.952) 39.488 5.943 ( 0.239 33.583 5.717) 34.067 6.367 ( 2.893 -3.764 -1.524) 4.986 7.065 ( -1.798 17.207 1.557) 17.371 7.809 ( -7.947 -7.391 -3.457) 11.390 14.493 ( -0.085 -16.598 -1.300) 16.649 15.646 ( -0.315 -9.201 1.006) 9.262 16.056 ( 0.481 -0.379 -0.270) 0.669 18.380 ( 5.687 -17.712 6.263) 19.629 ======================= Grid point 35 (26/860) ======================= q-point: (-0.16 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -12.389 17.158 -9.268) 23.104 2.429 ( -1.136 43.787 -0.666) 43.807 4.576 ( 2.251 46.621 -0.416) 46.677 4.786 ( -5.656 3.793 7.585) 10.193 5.434 ( 0.146 26.993 0.953) 27.011 6.451 ( 3.547 5.252 0.168) 6.339 6.635 ( -4.876 17.009 -5.147) 18.428 7.975 ( -5.469 -14.911 0.824) 15.904 14.596 ( -0.390 3.101 -0.080) 3.127 15.944 ( -0.006 -18.557 4.760) 19.158 16.078 ( 0.962 -5.883 -4.989) 7.773 18.741 ( 5.919 -14.628 5.303) 16.648 ======================= Grid point 36 (27/860) ======================= q-point: (-0.11 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -9.078 17.080 -5.791) 20.191 1.671 ( -0.957 40.038 -1.032) 40.062 3.556 ( -0.292 61.574 -1.040) 61.583 4.849 ( 0.721 1.021 11.797) 11.863 4.996 ( -1.793 19.036 -3.390) 19.418 5.976 ( -2.130 30.698 -6.318) 31.414 6.653 ( 0.545 -6.713 -0.622) 6.764 8.198 ( -3.621 -13.447 0.837) 13.951 14.453 ( -0.171 10.990 -0.194) 10.993 16.036 ( 0.533 0.898 1.922) 2.187 16.458 ( 0.173 -27.184 -1.894) 27.250 19.039 ( 5.457 -11.259 4.099) 13.166 ======================= Grid point 37 (28/860) ======================= q-point: (-0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -0.000 17.522 -0.000) 17.522 1.007 ( -0.000 33.934 -0.000) 33.934 2.422 ( -0.000 66.034 -0.000) 66.034 4.597 ( -0.000 17.965 -0.000) 17.965 4.961 ( 0.000 -3.399 0.000) 3.399 5.422 ( -0.000 27.191 -0.000) 27.191 6.763 ( 0.000 -5.356 0.000) 5.356 8.387 ( 0.000 -9.494 0.000) 9.494 14.248 ( -0.000 11.170 -0.000) 11.170 16.027 ( -0.000 0.752 -0.000) 0.752 16.891 ( 0.000 -21.233 0.000) 21.233 19.253 ( 0.000 -8.158 0.000) 8.158 ======================= Grid point 40 (29/860) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 10.622 -0.000 11.129) 15.384 0.712 ( 11.166 -0.000 16.385) 19.828 1.210 ( 26.062 -0.000 18.545) 31.986 4.057 ( 0.696 -0.000 -0.479) 0.845 4.431 ( 9.597 -0.000 -33.952) 35.282 5.864 ( 13.639 -0.000 29.514) 32.513 6.945 ( -12.671 0.000 18.070) 22.070 10.075 ( 19.175 -0.000 -47.952) 51.644 14.017 ( 0.802 -0.000 -1.720) 1.898 15.931 ( -2.440 0.000 -4.103) 4.774 15.983 ( 0.955 -0.000 2.985) 3.134 17.480 ( -11.407 0.000 24.535) 27.057 ======================= Grid point 41 (30/860) ======================= q-point: ( 0.16 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 10.789 -12.735 9.181) 19.049 1.278 ( 12.020 -31.431 8.996) 34.833 1.679 ( 16.319 -29.353 17.586) 37.910 4.150 ( 1.970 -9.126 -7.068) 11.710 4.470 ( 9.280 -11.033 -26.638) 30.289 6.142 ( 14.779 -3.455 27.297) 31.232 6.856 ( -7.992 6.538 11.487) 15.446 9.394 ( 20.655 44.003 -19.437) 52.352 14.098 ( 0.231 -7.813 -0.110) 7.817 15.888 ( -3.244 -0.297 -3.945) 5.116 16.825 ( -6.839 -44.457 -22.712) 50.389 17.565 ( -20.155 -17.839 18.841) 32.855 ======================= Grid point 42 (31/860) ======================= q-point: ( 0.21 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 7.869 -21.756 5.737) 23.836 1.794 ( 18.438 -11.916 14.386) 26.247 2.641 ( 3.801 -56.053 7.744) 56.713 4.319 ( 6.992 -11.596 -16.048) 20.997 4.691 ( 5.092 -17.233 -13.464) 22.454 6.455 ( 10.638 -4.379 20.505) 23.512 6.751 ( -0.524 3.137 8.186) 8.782 8.867 ( 13.997 26.468 -10.479) 31.722 14.276 ( 0.343 -11.479 0.393) 11.491 15.850 ( -2.813 -0.766 -5.398) 6.135 16.904 ( -0.845 13.053 -0.089) 13.080 17.901 ( -23.234 -28.005 -7.157) 37.086 ======================= Grid point 43 (32/860) ======================= q-point: ( 0.26 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 6.391 -27.059 1.672) 27.854 2.211 ( 14.265 -13.573 14.815) 24.641 3.670 ( 0.884 -53.375 1.893) 53.416 4.528 ( 10.901 -13.452 -15.784) 23.429 5.019 ( 2.379 -20.857 -5.600) 21.727 6.493 ( -2.180 5.893 5.107) 8.097 6.977 ( 13.294 -11.185 15.315) 23.160 8.520 ( 9.517 19.822 -8.178) 23.460 14.487 ( 0.760 -10.949 -0.138) 10.976 15.819 ( -1.758 -0.955 -6.871) 7.156 16.562 ( -1.763 24.196 7.344) 25.347 18.030 ( -16.930 -11.038 -11.837) 23.422 ======================= Grid point 44 (33/860) ======================= q-point: ( 0.32 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 7.025 -17.271 2.270) 18.783 2.715 ( 7.237 -29.055 7.606) 30.894 4.381 ( 4.536 -21.845 -8.186) 23.766 4.990 ( 8.172 -39.373 -3.022) 40.325 5.393 ( 1.814 -21.238 -3.312) 21.571 6.388 ( -2.001 5.304 2.785) 6.316 7.348 ( 13.622 -8.993 11.427) 19.925 8.237 ( 5.883 14.488 -7.272) 17.245 14.637 ( 1.172 -3.818 -0.187) 3.998 15.776 ( -0.116 2.781 -6.173) 6.771 16.163 ( -2.800 19.656 7.023) 21.060 17.934 ( -12.278 1.375 -11.925) 17.171 ======================= Grid point 45 (34/860) ======================= q-point: ( 0.37 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 3.834 -11.716 1.505) 12.419 3.384 ( 4.653 -37.263 0.591) 37.557 4.620 ( 9.314 -6.642 -4.648) 12.347 5.737 ( 1.956 -18.401 -5.701) 19.363 5.846 ( 5.151 -46.142 0.567) 46.432 6.319 ( -1.847 1.476 3.545) 4.261 7.492 ( 12.724 12.373 2.828) 17.971 8.136 ( 2.346 -5.046 -2.319) 6.028 14.580 ( 0.650 13.292 3.723) 13.819 15.623 ( 0.650 9.777 -2.203) 10.043 16.000 ( -1.825 -0.886 -1.019) 2.270 17.689 ( -9.076 9.945 -11.360) 17.616 ======================= Grid point 46 (35/860) ======================= q-point: ( 0.42 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -0.298 -11.630 -1.969) 11.799 4.072 ( 4.553 -35.892 -2.146) 36.243 4.779 ( 9.795 -4.014 0.810) 10.617 5.948 ( 2.999 -5.620 -4.796) 7.974 6.343 ( 2.896 -4.980 2.154) 6.150 6.691 ( 0.787 -41.498 -0.566) 41.509 7.238 ( 7.563 20.088 -1.860) 21.545 8.345 ( 1.989 -13.083 0.614) 13.247 14.231 ( -0.709 27.351 8.635) 28.691 15.513 ( 1.462 1.859 -5.240) 5.749 16.063 ( -0.229 -6.337 -1.752) 6.579 17.347 ( -6.827 14.813 -10.989) 19.667 ======================= Grid point 47 (36/860) ======================= q-point: ( 0.47 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( -3.384 -12.755 -4.593) 13.973 4.654 ( 7.312 -21.550 0.850) 22.773 4.947 ( 5.030 -10.162 -1.575) 11.447 5.979 ( 2.525 1.062 -2.560) 3.749 6.422 ( 9.820 8.190 0.956) 12.823 6.877 ( -1.945 5.963 -1.174) 6.381 7.479 ( 1.907 -34.695 -0.763) 34.756 8.572 ( 0.860 -10.548 -0.512) 10.596 13.757 ( -1.340 28.445 8.866) 29.825 15.508 ( 1.802 -1.981 -4.655) 5.370 16.166 ( 0.745 -4.429 0.237) 4.498 16.984 ( -5.127 13.619 -11.063) 18.280 ======================= Grid point 48 (37/860) ======================= q-point: ( 0.53 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( -4.876 -13.743 -5.091) 15.446 4.818 ( 5.864 7.296 -1.123) 9.427 5.270 ( 0.325 -21.183 -5.807) 21.967 5.962 ( 2.185 1.606 -1.140) 2.942 6.224 ( 12.817 19.912 8.713) 25.232 6.908 ( -3.491 -7.852 -0.102) 8.593 8.023 ( 0.915 -24.629 -1.452) 24.688 8.714 ( -0.460 -5.917 -2.266) 6.353 13.328 ( -1.172 21.923 5.897) 22.733 15.560 ( 1.418 -3.743 -1.484) 4.268 16.177 ( 0.491 5.590 1.389) 5.781 16.754 ( -2.816 1.203 -9.256) 9.749 ======================= Grid point 49 (38/860) ======================= q-point: (-0.42 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.405 ( -4.515 -13.552 -3.343) 14.670 4.536 ( -2.346 20.933 -13.210) 24.864 5.517 ( 0.712 -7.004 -1.546) 7.208 5.959 ( 2.057 0.149 0.101) 2.065 6.163 ( 11.918 5.756 19.263) 23.372 6.998 ( -2.159 -4.290 -1.216) 4.954 8.319 ( -0.043 -8.560 -1.260) 8.652 8.748 ( -1.679 -0.419 -3.977) 4.337 13.047 ( -0.518 10.330 1.596) 10.466 15.631 ( 0.616 -2.585 1.357) 2.984 16.038 ( -0.604 7.082 -1.000) 7.178 16.798 ( 0.040 -8.725 -2.794) 9.161 ======================= Grid point 50 (39/860) ======================= q-point: (-0.37 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( -0.690 -4.601 0.808) 4.723 4.022 ( -10.013 17.846 -18.918) 27.869 5.512 ( 0.316 7.785 1.729) 7.981 5.991 ( 2.260 -0.958 2.332) 3.386 6.323 ( 8.269 -1.859 20.296) 21.995 7.003 ( -1.428 1.016 -1.953) 2.624 8.302 ( -0.761 9.515 -0.613) 9.565 8.662 ( -2.841 5.467 -5.592) 8.321 12.987 ( 0.202 -4.062 -2.236) 4.641 15.654 ( -0.030 1.193 3.679) 3.868 15.968 ( -1.161 -0.765 -3.175) 3.466 17.000 ( 1.910 -13.025 2.700) 13.438 ======================= Grid point 51 (40/860) ======================= q-point: (-0.32 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( -3.778 28.848 -8.810) 30.399 3.916 ( -8.284 -14.663 -6.638) 18.102 5.266 ( -0.746 20.854 2.621) 21.031 6.046 ( 1.952 -1.732 3.748) 4.567 6.482 ( 4.615 1.578 15.059) 15.829 6.959 ( -0.544 0.560 0.885) 1.180 7.977 ( -0.917 25.672 0.005) 25.688 8.457 ( -4.054 11.147 -7.143) 13.846 13.170 ( 0.623 -17.607 -4.123) 18.094 15.649 ( -0.390 1.460 5.703) 5.900 15.978 ( -1.330 -2.882 -4.753) 5.716 17.307 ( 3.005 -17.040 5.484) 18.151 ======================= Grid point 52 (41/860) ======================= q-point: (-0.26 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -7.273 27.091 -10.088) 29.809 4.083 ( -4.171 -9.247 -1.452) 10.247 4.815 ( -1.874 28.110 2.175) 28.257 6.119 ( 1.859 -2.206 4.567) 5.402 6.412 ( 0.857 13.119 3.855) 13.700 7.051 ( 1.181 -7.386 8.947) 11.662 7.409 ( -0.554 37.051 -0.028) 37.055 8.140 ( -5.424 16.055 -8.627) 19.016 13.558 ( 0.638 -26.954 -3.790) 27.226 15.639 ( -0.677 2.449 5.093) 5.691 16.000 ( -0.793 -2.937 -3.567) 4.688 17.688 ( 3.290 -19.808 5.409) 20.795 ======================= Grid point 53 (42/860) ======================= q-point: (-0.21 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -7.726 23.631 -8.194) 26.178 3.917 ( -0.630 31.331 0.814) 31.348 4.515 ( -3.278 -1.981 1.184) 4.009 6.039 ( 0.884 22.722 2.177) 22.843 6.265 ( -0.241 -2.614 2.780) 3.824 6.696 ( 0.421 41.458 -1.151) 41.476 7.250 ( 3.384 -4.234 11.489) 12.704 7.747 ( -7.826 14.491 -10.950) 19.778 14.057 ( 0.348 -28.969 -2.123) 29.049 15.604 ( -0.553 1.878 2.219) 2.959 16.034 ( -0.147 -2.278 -0.985) 2.486 18.095 ( 2.943 -20.503 3.960) 21.088 ======================= Grid point 54 (43/860) ======================= q-point: (-0.16 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -5.521 20.761 -4.805) 22.013 3.209 ( -0.367 44.182 0.211) 44.184 4.631 ( -1.355 -8.725 1.721) 8.996 5.471 ( -0.730 41.885 -0.266) 41.893 5.986 ( 0.238 35.075 2.192) 35.144 6.391 ( 1.063 -6.669 -0.539) 6.775 7.078 ( 0.514 27.840 1.446) 27.882 7.676 ( -3.938 -14.127 -2.098) 14.815 14.484 ( -0.020 -16.873 -0.435) 16.879 15.649 ( -0.109 -9.187 0.342) 9.194 16.059 ( 0.156 -0.704 -0.111) 0.730 18.484 ( 2.030 -19.244 2.204) 19.476 ======================= Grid point 55 (44/860) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -0.000 18.826 -0.000) 18.826 2.417 ( -0.000 44.348 -0.000) 44.348 4.591 ( -0.000 55.282 -0.000) 55.282 4.776 ( 0.000 -7.274 0.000) 7.274 5.440 ( -0.000 28.320 -0.000) 28.320 6.525 ( 0.000 -7.483 0.000) 7.483 6.528 ( -0.000 32.519 -0.000) 32.519 7.931 ( 0.000 -15.352 0.000) 15.352 14.593 ( -0.000 3.134 -0.000) 3.134 15.970 ( 0.000 -25.343 0.000) 25.343 16.059 ( -0.000 0.637 -0.000) 0.637 18.816 ( 0.000 -16.399 0.000) 16.399 ======================= Grid point 60 (45/860) ======================= q-point: ( 0.16 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 9.751 -0.000 10.284) 14.172 1.030 ( 10.328 -0.000 14.132) 17.504 1.790 ( 22.514 -0.000 19.453) 29.754 4.066 ( 0.959 -0.000 -0.642) 1.154 4.333 ( 16.388 -0.000 -31.553) 35.555 6.363 ( 15.170 -0.000 25.081) 29.312 6.908 ( -9.563 0.000 13.910) 16.881 9.910 ( 9.202 -0.000 -36.807) 37.940 14.014 ( 1.102 -0.000 -2.241) 2.497 15.841 ( -3.177 0.000 -5.079) 5.991 16.035 ( 1.285 -0.000 3.977) 4.180 17.526 ( -8.028 0.000 19.261) 20.867 ======================= Grid point 61 (46/860) ======================= q-point: ( 0.21 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 10.554 -10.026 8.125) 16.671 1.504 ( 6.830 -39.864 8.941) 41.422 2.135 ( 16.554 -12.083 17.885) 27.201 4.145 ( 4.477 -7.756 -5.521) 10.520 4.431 ( 15.212 -9.960 -23.634) 29.820 6.594 ( 9.933 -0.739 18.689) 21.177 6.861 ( -1.927 4.044 13.565) 14.285 9.448 ( 10.969 31.718 -22.342) 40.317 14.098 ( 0.482 -8.408 -1.092) 8.492 15.791 ( -3.382 -0.291 -4.983) 6.029 16.568 ( -5.481 -41.109 -10.042) 42.672 17.509 ( -10.129 2.137 17.225) 20.097 ======================= Grid point 62 (47/860) ======================= q-point: ( 0.26 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 7.847 -17.359 5.710) 19.888 2.168 ( 12.321 -16.830 11.084) 23.620 2.777 ( 3.588 -45.494 7.092) 46.183 4.347 ( 10.883 -11.534 -9.673) 18.576 4.683 ( 9.753 -16.053 -12.740) 22.696 6.605 ( -3.306 6.131 5.837) 9.088 7.013 ( 13.023 -5.542 17.600) 22.584 8.951 ( 9.761 24.886 -12.689) 29.590 14.282 ( 0.422 -11.877 -0.392) 11.891 15.751 ( -2.721 -0.950 -6.108) 6.754 16.871 ( -2.282 2.288 -1.688) 3.646 17.551 ( -16.287 -15.431 1.174) 22.467 ======================= Grid point 63 (48/860) ======================= q-point: ( 0.32 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 5.620 -24.346 1.926) 25.061 2.516 ( 8.562 -10.565 8.979) 16.295 3.695 ( 1.387 -50.196 -0.024) 50.216 4.634 ( 14.461 -14.367 -7.106) 21.588 5.025 ( 5.395 -19.978 -5.098) 21.313 6.485 ( -2.437 6.161 2.338) 7.026 7.334 ( 12.409 -9.910 13.538) 20.867 8.576 ( 7.500 20.709 -8.900) 23.755 14.496 ( 0.833 -11.251 -0.645) 11.300 15.726 ( -1.607 -1.794 -7.013) 7.415 16.601 ( -2.290 23.393 7.987) 24.825 17.673 ( -14.181 -12.161 -9.739) 21.068 ======================= Grid point 64 (49/860) ======================= q-point: ( 0.37 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 3.631 -17.993 -1.075) 18.387 2.864 ( 3.869 -23.331 2.633) 23.796 4.442 ( 8.475 -26.962 -2.165) 28.345 5.099 ( 8.160 -32.644 -2.563) 33.746 5.415 ( 3.867 -21.321 -0.736) 21.682 6.381 ( -1.011 4.689 1.313) 4.973 7.663 ( 11.471 -8.680 9.925) 17.477 8.242 ( 4.277 17.571 -8.217) 19.864 14.655 ( 1.307 -4.799 -0.202) 4.978 15.716 ( -0.113 -0.603 -6.151) 6.181 16.179 ( -3.241 23.039 6.917) 24.273 17.639 ( -10.555 -1.098 -10.947) 15.246 ======================= Grid point 65 (50/860) ======================= q-point: ( 0.42 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 0.078 -9.729 -3.806) 10.447 3.436 ( 2.694 -36.040 -2.632) 36.236 4.808 ( 14.186 -7.114 2.963) 16.144 5.711 ( 2.503 -23.378 -6.609) 24.423 5.934 ( 2.771 -39.639 3.196) 39.864 6.326 ( -0.075 1.158 1.735) 2.087 7.722 ( 11.793 21.677 2.184) 24.773 8.126 ( -0.091 -10.821 -3.137) 11.267 14.630 ( 0.856 11.359 4.250) 12.158 15.614 ( 0.645 10.194 -2.043) 10.417 15.951 ( -2.370 -0.798 -2.235) 3.353 17.450 ( -7.605 8.103 -10.179) 15.070 ======================= Grid point 66 (51/860) ======================= q-point: ( 0.47 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -2.727 -9.810 -6.254) 11.949 4.097 ( 2.586 -37.264 -4.807) 37.661 5.003 ( 13.014 -0.176 5.654) 14.191 5.963 ( 3.757 -6.177 -3.937) 8.232 6.393 ( 0.198 -8.247 3.057) 8.797 6.696 ( 0.774 -39.204 -1.454) 39.239 7.357 ( 7.938 23.841 0.043) 25.128 8.359 ( 0.270 -13.410 -1.527) 13.499 14.302 ( -0.637 27.419 8.819) 28.810 15.490 ( 1.342 1.911 -4.599) 5.158 16.032 ( -0.570 -8.701 -3.439) 9.373 17.150 ( -5.457 13.975 -9.334) 17.669 ======================= Grid point 67 (52/860) ======================= q-point: ( 0.53 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -4.477 -11.873 -7.088) 14.535 4.719 ( 3.028 -32.121 -4.194) 32.535 5.061 ( 8.081 6.239 1.839) 10.373 6.008 ( 3.589 1.167 -1.868) 4.211 6.591 ( 5.619 -6.333 3.868) 9.308 6.855 ( 1.096 15.685 1.659) 15.811 7.501 ( 1.877 -31.782 -1.194) 31.859 8.556 ( -0.842 -10.008 -2.870) 10.446 13.814 ( -1.243 29.522 7.870) 30.578 15.501 ( 1.732 -3.003 -3.110) 4.657 16.171 ( 0.381 -7.114 -1.225) 7.229 16.813 ( -3.974 13.384 -9.276) 16.762 ======================= Grid point 68 (53/860) ======================= q-point: ( 0.58 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -5.353 -14.317 -6.482) 16.603 4.868 ( 3.525 19.363 -4.654) 20.224 5.233 ( 1.163 -23.681 -3.608) 23.982 5.996 ( 3.103 1.996 -0.833) 3.782 6.550 ( 12.556 16.426 14.110) 25.031 6.845 ( -3.418 -9.724 -0.479) 10.318 8.016 ( 0.175 -24.072 -2.178) 24.171 8.665 ( -1.738 -5.287 -4.048) 6.882 13.359 ( -1.014 23.241 4.574) 23.708 15.576 ( 1.307 -4.403 -0.092) 4.594 16.191 ( 0.068 7.281 0.626) 7.308 16.635 ( -1.866 -3.663 -7.874) 8.883 ======================= Grid point 69 (54/860) ======================= q-point: (-0.37 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -5.413 -16.420 -5.007) 17.999 4.393 ( -1.457 29.752 -9.843) 31.372 5.525 ( 1.049 -8.200 -0.168) 8.268 6.000 ( 2.612 -0.449 0.219) 2.660 6.526 ( 10.349 6.053 17.698) 21.377 6.951 ( -1.806 -4.433 -1.213) 4.938 8.296 ( -0.786 -8.548 -2.222) 8.867 8.673 ( -2.201 0.462 -4.619) 5.137 13.051 ( -0.426 11.597 1.003) 11.648 15.657 ( 0.549 -2.819 1.918) 3.454 16.015 ( -0.720 8.413 -1.473) 8.571 16.779 ( 0.345 -13.168 -2.025) 13.327 ======================= Grid point 70 (55/860) ======================= q-point: (-0.32 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( -4.637 -17.510 -3.170) 18.389 3.758 ( -3.793 33.203 -9.864) 34.845 5.532 ( 0.287 7.835 1.213) 7.934 6.051 ( 2.303 -1.717 1.985) 3.492 6.622 ( 7.013 1.437 15.120) 16.729 6.963 ( -1.274 0.215 -1.062) 1.672 8.277 ( -1.114 8.788 -1.563) 8.995 8.564 ( -2.593 7.161 -5.019) 9.121 12.972 ( 0.107 -3.147 -1.508) 3.492 15.691 ( 0.156 0.420 3.745) 3.772 15.919 ( -1.011 0.675 -3.341) 3.555 17.049 ( 1.392 -16.325 1.756) 16.478 ======================= Grid point 71 (56/860) ======================= q-point: (-0.26 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -4.288 32.279 -7.470) 33.408 3.786 ( -3.384 -17.019 -1.679) 17.433 5.277 ( -0.280 21.440 1.393) 21.488 6.107 ( 1.565 -1.937 2.497) 3.526 6.644 ( 2.544 8.302 5.786) 10.434 6.984 ( 0.641 -4.218 4.387) 6.119 7.962 ( -0.700 25.066 -0.441) 25.080 8.335 ( -2.999 13.236 -5.433) 14.618 13.148 ( 0.323 -17.237 -2.170) 17.376 15.695 ( -0.047 1.487 4.576) 4.812 15.917 ( -0.889 -2.919 -4.061) 5.080 17.385 ( 1.650 -18.874 2.875) 19.163 ======================= Grid point 72 (57/860) ======================= q-point: (-0.21 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -3.227 28.956 -4.179) 29.433 4.028 ( -1.484 -11.418 -0.366) 11.520 4.809 ( -0.571 29.661 0.771) 29.677 6.177 ( 1.011 -3.721 2.004) 4.346 6.436 ( 0.084 16.990 0.448) 16.996 7.151 ( 1.340 -10.033 5.365) 11.456 7.402 ( -0.218 36.838 -0.081) 36.839 8.001 ( -2.710 19.246 -4.600) 19.973 13.542 ( 0.224 -26.983 -1.291) 27.015 15.667 ( -0.221 3.419 2.113) 4.025 15.965 ( -0.296 -4.262 -1.605) 4.564 17.759 ( 1.160 -20.604 1.866) 20.721 ======================= Grid point 73 (58/860) ======================= q-point: (-0.16 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -0.000 24.817 -0.000) 24.817 3.916 ( -0.000 30.840 -0.000) 30.840 4.492 ( 0.000 -2.031 0.000) 2.031 6.058 ( -0.000 26.066 -0.000) 26.066 6.276 ( 0.000 -6.024 0.000) 6.024 6.693 ( -0.000 41.937 -0.000) 41.937 7.389 ( 0.000 -13.972 0.000) 13.972 7.576 ( -0.000 25.476 -0.000) 25.476 14.050 ( 0.000 -29.097 0.000) 29.097 15.610 ( -0.000 2.308 -0.000) 2.308 16.028 ( 0.000 -2.907 0.000) 2.907 18.138 ( 0.000 -20.929 0.000) 20.929 ======================= Grid point 80 (59/860) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 8.610 -0.000 9.154) 12.567 1.310 ( 9.255 -0.000 11.507) 14.767 2.276 ( 15.080 -0.000 17.001) 22.725 4.076 ( 1.127 -0.000 -0.728) 1.342 4.398 ( 24.533 -0.000 -25.164) 35.144 6.717 ( 0.937 -0.000 11.469) 11.507 6.981 ( 5.429 -0.000 18.609) 19.385 9.700 ( 3.729 -0.000 -30.017) 30.247 14.012 ( 1.288 -0.000 -2.457) 2.774 15.737 ( -3.442 0.000 -5.259) 6.285 16.097 ( 1.463 -0.000 4.484) 4.717 17.573 ( -6.618 0.000 16.260) 17.556 ======================= Grid point 81 (60/860) ======================= q-point: ( 0.26 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 9.589 -8.869 6.899) 14.772 1.683 ( 5.310 -38.125 8.304) 39.378 2.494 ( 9.116 -5.802 12.277) 16.355 4.177 ( 2.766 -10.067 -1.529) 10.552 4.560 ( 25.384 -5.900 -18.184) 31.778 6.695 ( -4.969 4.293 5.977) 8.879 7.143 ( 11.534 -0.985 16.994) 20.562 9.373 ( 5.393 21.266 -20.274) 29.872 14.094 ( 0.743 -8.599 -1.714) 8.800 15.688 ( -3.183 -0.360 -5.435) 6.309 16.445 ( -2.964 -29.531 -2.505) 29.785 17.518 ( -7.202 7.678 14.315) 17.769 ======================= Grid point 82 (61/860) ======================= q-point: ( 0.32 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 7.159 -13.806 5.123) 16.373 2.403 ( 6.606 -21.068 6.822) 23.109 2.865 ( 1.286 -36.236 2.626) 36.354 4.442 ( 5.310 -16.317 -1.809) 17.255 4.829 ( 22.061 -9.346 -9.046) 25.610 6.581 ( -3.388 6.025 2.298) 7.284 7.352 ( 10.001 -4.990 11.835) 16.278 8.969 ( 6.805 21.218 -10.767) 24.747 14.283 ( 0.541 -12.260 -1.042) 12.316 15.650 ( -2.402 -1.186 -6.243) 6.793 16.805 ( -3.532 -9.473 -1.560) 10.230 17.373 ( -10.275 2.252 5.701) 11.965 ======================= Grid point 83 (62/860) ======================= q-point: ( 0.37 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 4.974 -20.868 1.658) 21.516 2.647 ( 2.097 -7.915 1.115) 8.264 3.725 ( 2.292 -51.110 0.124) 51.161 4.796 ( 7.729 -18.064 -1.586) 19.712 5.156 ( 15.524 -12.651 -0.622) 20.036 6.467 ( -0.757 5.308 -0.049) 5.362 7.591 ( 6.455 -9.488 6.463) 13.170 8.621 ( 7.023 21.002 -5.480) 22.813 14.503 ( 0.882 -11.734 -0.969) 11.807 15.637 ( -1.387 -2.630 -6.664) 7.298 16.637 ( -2.669 22.737 8.367) 24.374 17.389 ( -10.650 -10.367 -7.716) 16.746 ======================= Grid point 84 (63/860) ======================= q-point: ( 0.42 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 1.843 -13.723 -3.034) 14.175 2.892 ( 0.386 -23.218 -2.632) 23.370 4.586 ( 7.947 -37.875 2.073) 38.755 5.196 ( 6.362 -23.100 -2.616) 24.102 5.523 ( 7.439 -17.571 4.130) 19.523 6.385 ( 1.478 3.953 -0.717) 4.281 7.848 ( 2.666 -13.047 1.647) 13.418 8.271 ( 7.207 23.388 -2.521) 24.602 14.675 ( 1.339 -6.103 -0.087) 6.249 15.658 ( -0.163 -3.322 -5.776) 6.665 16.186 ( -3.440 26.437 6.269) 27.387 17.393 ( -7.943 -2.400 -9.056) 12.282 ======================= Grid point 85 (64/860) ======================= q-point: ( 0.47 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -1.712 -7.238 -6.636) 9.967 3.432 ( 1.204 -35.952 -4.169) 36.213 5.104 ( 14.970 -8.383 7.293) 18.643 5.699 ( 2.925 -26.167 -5.564) 26.911 5.983 ( -1.107 -32.305 3.923) 32.561 6.357 ( 3.192 0.226 -0.201) 3.206 7.884 ( 6.311 25.106 -1.605) 25.936 8.104 ( 0.929 -13.343 -0.474) 13.383 14.686 ( 0.953 9.256 4.355) 10.274 15.607 ( 0.627 10.811 -1.505) 10.933 15.882 ( -2.711 -0.476 -3.446) 4.410 17.257 ( -5.533 6.866 -7.955) 11.876 ======================= Grid point 86 (65/860) ======================= q-point: ( 0.53 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -3.339 -8.460 -7.578) 11.838 4.080 ( 1.288 -37.624 -4.951) 37.970 5.274 ( 12.065 4.389 6.651) 14.459 5.998 ( 4.731 -7.466 -3.323) 9.442 6.409 ( -1.909 -10.183 3.463) 10.924 6.684 ( -0.029 -36.886 -2.312) 36.959 7.497 ( 7.899 23.200 2.238) 24.610 8.326 ( -1.494 -12.810 -3.235) 13.297 14.371 ( -0.542 27.927 7.859) 29.017 15.472 ( 1.118 1.426 -3.539) 3.976 15.983 ( -0.771 -10.713 -4.413) 11.612 17.000 ( -3.749 13.529 -6.750) 15.577 ======================= Grid point 87 (66/860) ======================= q-point: ( 0.58 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -4.120 -11.153 -6.991) 13.792 4.705 ( 0.886 -33.701 -4.411) 34.000 5.207 ( 6.861 14.461 1.701) 16.096 6.063 ( 5.167 1.784 -1.573) 5.689 6.608 ( -4.490 -12.837 0.607) 13.613 7.002 ( 9.012 12.237 8.445) 17.387 7.514 ( 1.325 -26.017 -1.977) 26.125 8.495 ( -2.320 -9.840 -4.263) 10.972 13.861 ( -0.986 30.634 5.870) 31.207 15.505 ( 1.432 -4.135 -1.557) 4.645 16.158 ( 0.049 -10.011 -2.162) 10.242 16.686 ( -2.600 14.072 -6.375) 15.666 ======================= Grid point 88 (67/860) ======================= q-point: (-0.37 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( -4.285 -14.107 -5.582) 15.765 4.857 ( 0.985 24.637 -4.468) 25.059 5.240 ( 1.916 -23.113 -1.175) 23.222 6.043 ( 3.234 2.845 -0.624) 4.352 6.741 ( -3.009 -4.167 2.164) 5.577 6.919 ( 10.291 7.425 10.667) 16.578 7.984 ( -1.010 -23.786 -3.143) 24.014 8.592 ( -2.140 -5.333 -4.034) 7.021 13.380 ( -0.694 24.252 2.860) 24.430 15.597 ( 0.948 -4.838 0.595) 4.966 16.193 ( -0.144 9.176 0.129) 9.178 16.549 ( -1.001 -7.963 -5.368) 9.655 ======================= Grid point 89 (68/860) ======================= q-point: (-0.32 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( -3.810 -16.551 -3.939) 17.434 4.310 ( -0.551 33.272 -4.707) 33.607 5.540 ( 0.662 -8.363 0.147) 8.391 6.042 ( 1.947 -0.944 0.258) 2.179 6.775 ( 3.247 1.692 7.599) 8.435 6.949 ( 2.234 0.552 2.915) 3.713 8.253 ( -1.358 -8.735 -2.703) 9.244 8.605 ( -1.453 0.770 -2.884) 3.320 13.053 ( -0.241 12.398 0.471) 12.409 15.681 ( 0.339 -3.122 1.441) 3.455 15.992 ( -0.479 9.434 -1.132) 9.513 16.770 ( 0.279 -16.023 -1.071) 16.061 ======================= Grid point 90 (69/860) ======================= q-point: (-0.26 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.405 ( -3.098 -12.835 -3.238) 13.595 3.692 ( -0.141 30.145 -1.539) 30.185 5.542 ( 0.095 7.886 0.419) 7.898 6.093 ( 1.004 -2.186 0.853) 2.552 6.793 ( 2.172 3.445 4.234) 5.875 6.957 ( 0.224 -0.498 1.313) 1.422 8.244 ( -0.785 7.678 -1.279) 7.823 8.501 ( -0.968 8.733 -1.844) 8.978 12.963 ( 0.033 -2.686 -0.532) 2.738 15.723 ( 0.150 -0.607 1.965) 2.062 15.880 ( -0.459 2.054 -1.812) 2.777 17.076 ( 0.508 -18.041 0.608) 18.059 ======================= Grid point 91 (70/860) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( -0.000 32.483 -0.000) 32.483 3.754 ( 0.000 -16.593 0.000) 16.593 5.282 ( -0.000 21.592 -0.000) 21.592 6.133 ( 0.000 -2.060 0.000) 2.060 6.685 ( -0.000 10.580 -0.000) 10.580 7.022 ( 0.000 -6.068 0.000) 6.068 7.952 ( -0.000 24.547 -0.000) 24.547 8.281 ( -0.000 14.507 -0.000) 14.507 13.141 ( 0.000 -17.120 0.000) 17.120 15.720 ( -0.000 1.746 -0.000) 1.746 15.887 ( 0.000 -3.176 0.000) 3.176 17.413 ( 0.000 -19.503 0.000) 19.503 ======================= Grid point 100 (71/860) ======================= q-point: ( 0.26 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 7.260 -0.000 7.786) 10.645 1.546 ( 8.011 -0.000 8.806) 11.905 2.572 ( 5.936 -0.000 9.392) 11.110 4.088 ( 1.177 -0.000 -0.731) 1.385 4.674 ( 31.106 -0.000 -13.785) 34.023 6.716 ( -5.723 0.000 4.785) 7.460 7.296 ( 9.594 -0.000 13.279) 16.382 9.495 ( 1.640 -0.000 -21.814) 21.876 14.010 ( 1.339 -0.000 -2.383) 2.733 15.635 ( -3.227 0.000 -4.797) 5.781 16.164 ( 1.476 -0.000 4.487) 4.723 17.611 ( -5.908 0.000 13.668) 14.890 ======================= Grid point 101 (72/860) ======================= q-point: ( 0.32 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 8.207 -8.429 5.683) 13.065 1.832 ( 4.294 -35.133 6.781) 36.038 2.654 ( 1.859 -2.370 3.663) 4.742 4.199 ( 1.364 -11.328 -0.848) 11.442 4.912 ( 30.542 -3.220 -6.645) 31.422 6.652 ( -4.281 3.969 2.048) 6.187 7.420 ( 6.892 -1.018 7.743) 10.416 9.283 ( 3.711 14.062 -13.198) 19.639 14.091 ( 0.897 -8.504 -1.876) 8.755 15.590 ( -2.724 -0.308 -5.031) 5.729 16.406 ( -1.394 -20.962 0.939) 21.030 17.533 ( -5.923 9.984 11.635) 16.436 ======================= Grid point 102 (73/860) ======================= q-point: ( 0.37 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 6.025 -11.067 4.169) 13.273 2.520 ( 2.422 -16.692 2.513) 17.053 2.876 ( -0.111 -37.076 -1.063) 37.091 4.480 ( 1.695 -18.850 -1.168) 18.962 5.202 ( 25.980 -4.357 1.054) 26.364 6.549 ( -0.885 4.853 -1.132) 5.062 7.527 ( 2.958 -4.290 2.349) 5.716 8.999 ( 6.128 17.475 -4.599) 19.081 14.282 ( 0.633 -12.529 -1.314) 12.613 15.559 ( -1.931 -1.316 -5.624) 6.090 16.739 ( -3.393 -14.809 0.010) 15.193 17.295 ( -6.668 13.729 6.145) 16.454 ======================= Grid point 103 (74/860) ======================= q-point: ( 0.42 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 4.036 -17.412 0.936) 17.899 2.629 ( -1.717 -6.049 -4.158) 7.538 3.769 ( 2.376 -53.250 0.738) 53.308 4.856 ( 2.565 -21.831 -1.453) 22.029 5.480 ( 17.947 -4.294 6.932) 19.713 6.469 ( 3.203 4.056 -2.951) 5.951 7.650 ( -1.215 -8.888 -2.245) 9.247 8.717 ( 7.366 19.910 0.375) 21.232 14.508 ( 0.857 -12.302 -1.004) 12.373 15.559 ( -1.101 -3.238 -5.695) 6.643 16.670 ( -2.782 22.586 8.348) 24.240 17.179 ( -7.157 -7.816 -6.387) 12.374 ======================= Grid point 104 (75/860) ======================= q-point: ( 0.47 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 0.052 -7.882 -4.985) 9.327 2.857 ( -0.418 -25.769 -3.387) 25.994 4.712 ( 4.885 -47.953 2.006) 48.243 5.260 ( 4.086 -21.256 -1.718) 21.713 5.707 ( 6.717 -6.475 7.868) 12.204 6.431 ( 6.377 3.405 -2.313) 7.590 7.799 ( -4.096 -12.178 -5.833) 14.110 8.414 ( 7.933 22.162 3.154) 23.750 14.696 ( 1.202 -7.516 0.070) 7.612 15.605 ( -0.212 -5.253 -4.835) 7.142 16.184 ( -3.177 29.600 4.991) 30.185 17.213 ( -5.176 -3.062 -6.638) 8.957 ======================= Grid point 105 (76/860) ======================= q-point: ( 0.53 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -2.201 -5.439 -6.899) 9.057 3.409 ( 0.600 -35.876 -3.426) 36.044 5.401 ( 12.233 -11.608 7.521) 18.465 5.701 ( 2.682 -28.158 -3.984) 28.564 5.970 ( -4.183 -25.112 2.906) 25.623 6.425 ( 5.339 1.933 -0.813) 5.736 7.893 ( 0.129 2.881 -4.323) 5.196 8.159 ( 3.339 7.255 2.056) 8.247 14.739 ( 0.863 7.257 3.762) 8.220 15.608 ( 0.667 11.965 -0.578) 11.998 15.803 ( -2.616 -0.450 -4.041) 4.835 17.122 ( -3.431 6.113 -5.267) 8.768 ======================= Grid point 106 (77/860) ======================= q-point: ( 0.58 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -2.688 -7.580 -6.123) 10.108 4.055 ( 0.592 -37.535 -3.417) 37.695 5.492 ( 7.527 9.040 4.876) 12.733 6.057 ( 5.891 -10.952 -2.770) 12.740 6.395 ( -3.590 -5.188 3.240) 7.092 6.657 ( -0.475 -39.338 -2.256) 39.406 7.655 ( 7.630 20.724 3.948) 22.434 8.251 ( -3.324 -12.063 -4.290) 13.228 14.427 ( -0.386 28.719 5.543) 29.252 15.461 ( 0.776 0.578 -2.181) 2.386 15.931 ( -0.673 -12.074 -3.841) 12.688 16.902 ( -2.108 13.283 -3.931) 14.011 ======================= Grid point 107 (78/860) ======================= q-point: ( 0.63 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -2.505 -10.551 -4.367) 11.690 4.680 ( 0.186 -33.051 -2.533) 33.148 5.304 ( 3.445 18.190 0.818) 18.532 6.141 ( 5.504 4.287 -1.156) 7.072 6.519 ( -5.666 -13.074 0.185) 14.250 7.232 ( 7.751 -4.762 9.066) 12.843 7.501 ( -0.142 -13.169 -3.412) 13.605 8.414 ( -2.445 -10.554 -3.590) 11.413 13.890 ( -0.553 31.474 3.125) 31.634 15.515 ( 0.839 -5.016 -0.476) 5.108 16.137 ( -0.093 -12.252 -1.785) 12.382 16.610 ( -1.245 14.947 -3.100) 15.315 ======================= Grid point 108 (79/860) ======================= q-point: (-0.32 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -1.661 -13.656 -2.226) 13.935 4.834 ( 0.101 25.125 -1.694) 25.182 5.259 ( 0.853 -21.141 -0.238) 21.159 6.080 ( 1.499 3.811 -0.242) 4.103 6.700 ( -1.745 -9.599 0.128) 9.757 7.143 ( 5.007 12.158 5.827) 14.382 7.935 ( -1.124 -24.412 -2.198) 24.537 8.536 ( -0.985 -5.945 -1.699) 6.261 13.390 ( -0.247 24.796 0.968) 24.816 15.613 ( 0.351 -5.026 0.353) 5.051 16.191 ( -0.091 10.502 -0.023) 10.502 16.504 ( -0.306 -10.602 -1.913) 10.778 ======================= Grid point 109 (80/860) ======================= q-point: (-0.26 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 0.000 -16.140 0.000) 16.140 4.284 ( -0.000 33.977 -0.000) 33.977 5.547 ( 0.000 -8.305 0.000) 8.305 6.060 ( 0.000 -1.139 0.000) 1.139 6.812 ( 0.000 -3.392 0.000) 3.392 7.011 ( -0.000 6.110 -0.000) 6.110 8.224 ( 0.000 -8.893 0.000) 8.893 8.579 ( -0.000 0.711 -0.000) 0.711 13.053 ( -0.000 12.670 -0.000) 12.670 15.691 ( 0.000 -3.301 0.000) 3.301 15.982 ( -0.000 9.866 -0.000) 9.866 16.767 ( 0.000 -17.008 0.000) 17.008 ======================= Grid point 120 (81/860) ======================= q-point: ( 0.32 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 5.761 -0.000 6.230) 8.485 1.736 ( 6.604 -0.000 6.236) 9.083 2.662 ( -0.132 0.000 1.354) 1.360 4.101 ( 1.099 -0.000 -0.654) 1.279 5.119 ( 31.072 -0.000 -2.206) 31.150 6.660 ( -3.830 0.000 0.434) 3.854 7.479 ( 3.397 -0.000 2.395) 4.156 9.373 ( 2.457 -0.000 -10.790) 11.066 14.011 ( 1.245 -0.000 -2.071) 2.416 15.546 ( -2.630 0.000 -3.903) 4.706 16.227 ( 1.330 -0.000 4.022) 4.237 17.634 ( -5.300 0.000 10.967) 12.181 ======================= Grid point 121 (82/860) ======================= q-point: ( 0.37 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 6.558 -8.059 4.406) 11.286 1.949 ( 3.278 -32.867 4.908) 33.393 2.651 ( -2.039 -0.336 -2.462) 3.215 4.210 ( 1.008 -11.352 -0.789) 11.424 5.381 ( 27.228 -1.800 3.273) 27.483 6.604 ( -0.928 2.907 -2.564) 3.986 7.498 ( -0.189 -0.866 -2.063) 2.246 9.267 ( 4.184 9.777 -4.072) 11.388 14.089 ( 0.885 -8.320 -1.670) 8.531 15.508 ( -2.046 -0.099 -3.997) 4.492 16.406 ( -0.552 -15.582 2.053) 15.727 17.540 ( -4.933 11.142 8.909) 15.094 ======================= Grid point 122 (83/860) ======================= q-point: ( 0.42 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 4.575 -9.061 2.919) 10.563 2.529 ( -1.222 -5.642 -2.166) 6.165 2.868 ( 0.607 -45.907 -0.651) 45.916 4.490 ( 1.018 -19.264 -1.055) 19.320 5.633 ( 19.612 -1.193 8.488) 21.403 6.545 ( 4.665 2.823 -5.301) 7.604 7.502 ( -3.878 -3.722 -4.682) 7.128 9.082 ( 5.593 14.707 0.934) 15.762 14.280 ( 0.613 -12.689 -1.202) 12.760 15.485 ( -1.350 -1.258 -4.342) 4.718 16.697 ( -2.466 -15.514 1.029) 15.742 17.257 ( -4.529 19.205 4.863) 20.322 ======================= Grid point 123 (84/860) ======================= q-point: ( 0.47 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 2.661 -13.584 -0.288) 13.846 2.543 ( -2.713 -6.357 -4.945) 8.498 3.810 ( 1.793 -54.487 0.743) 54.521 4.875 ( 1.402 -23.135 -1.090) 23.203 5.798 ( 9.555 1.221 10.041) 13.914 6.540 ( 10.566 2.485 -4.647) 11.807 7.540 ( -6.457 -8.626 -6.209) 12.436 8.845 ( 5.752 18.447 2.859) 19.533 14.512 ( 0.698 -12.838 -0.790) 12.881 15.497 ( -0.747 -3.530 -4.129) 5.483 16.702 ( -2.484 23.646 7.667) 24.981 17.032 ( -4.109 -6.541 -5.607) 9.545 ======================= Grid point 124 (85/860) ======================= q-point: ( 0.53 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -1.037 -3.982 -5.133) 6.579 2.828 ( -0.078 -27.600 -1.875) 27.663 4.784 ( 2.489 -52.657 0.887) 52.723 5.301 ( 2.429 -23.339 -0.743) 23.477 5.847 ( 1.695 2.154 6.716) 7.253 6.554 ( 10.158 4.889 -1.397) 11.360 7.657 ( -5.482 -13.490 -6.045) 15.766 8.551 ( 4.850 21.221 2.932) 21.964 14.715 ( 0.851 -8.751 0.144) 8.794 15.564 ( -0.190 -6.359 -3.249) 7.143 16.177 ( -2.283 32.040 3.186) 32.278 17.099 ( -2.778 -3.411 -3.998) 5.944 ======================= Grid point 125 (86/860) ======================= q-point: ( 0.58 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -1.528 -4.593 -4.420) 6.555 3.392 ( 0.279 -35.613 -1.805) 35.660 5.631 ( 8.516 -18.043 5.043) 20.579 5.710 ( 1.898 -26.657 -1.808) 26.786 5.906 ( -5.541 -21.547 0.583) 22.256 6.500 ( 3.978 7.375 -0.476) 8.393 7.854 ( -0.403 -12.380 -2.578) 12.652 8.216 ( 1.632 19.502 1.160) 19.604 14.780 ( 0.531 5.742 2.253) 6.191 15.619 ( 0.799 15.072 0.588) 15.105 15.728 ( -1.992 -2.516 -3.453) 4.714 17.045 ( -1.601 5.720 -2.576) 6.474 ======================= Grid point 126 (87/860) ======================= q-point: ( 0.63 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -1.041 -7.154 -2.361) 7.605 4.039 ( 0.169 -37.381 -1.198) 37.400 5.603 ( 2.260 11.977 1.724) 12.310 6.126 ( 4.011 -18.299 -1.393) 18.785 6.359 ( -2.992 6.728 1.608) 7.537 6.636 ( -0.167 -44.707 -0.901) 44.716 7.798 ( 4.542 21.394 2.970) 22.071 8.155 ( -2.971 -14.043 -3.002) 14.664 14.459 ( -0.144 29.347 2.016) 29.416 15.456 ( 0.285 -0.128 -0.723) 0.788 15.896 ( -0.269 -12.703 -1.541) 12.799 16.856 ( -0.671 13.152 -1.273) 13.231 ======================= Grid point 127 (88/860) ======================= q-point: (-0.32 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 0.000 -10.307 0.000) 10.307 4.669 ( 0.000 -32.684 0.000) 32.684 5.335 ( -0.000 19.200 -0.000) 19.200 6.191 ( -0.000 7.660 -0.000) 7.660 6.464 ( 0.000 -15.822 0.000) 15.822 7.371 ( 0.000 -37.258 0.000) 37.258 7.456 ( -0.000 18.681 -0.000) 18.681 8.372 ( 0.000 -11.361 0.000) 11.361 13.900 ( -0.000 31.787 -0.000) 31.787 15.521 ( 0.000 -5.347 0.000) 5.347 16.127 ( 0.000 -13.064 0.000) 13.064 16.586 ( -0.000 15.296 -0.000) 15.296 ======================= Grid point 140 (89/860) ======================= q-point: ( 0.37 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 4.166 -0.000 4.539) 6.161 1.878 ( 4.990 -0.000 3.906) 6.337 2.623 ( -2.824 0.000 -3.109) 4.200 4.112 ( 0.895 -0.000 -0.513) 1.031 5.600 ( 24.034 -0.000 6.385) 24.868 6.610 ( 0.747 -0.000 -5.057) 5.112 7.462 ( -2.991 0.000 -5.275) 6.064 9.369 ( 3.467 -0.000 -1.697) 3.860 14.012 ( 1.010 -0.000 -1.587) 1.881 15.478 ( -1.836 0.000 -2.794) 3.343 16.280 ( 1.050 -0.000 3.167) 3.336 17.643 ( -4.396 0.000 8.035) 9.159 ======================= Grid point 141 (90/860) ======================= q-point: ( 0.42 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 4.691 -6.923 2.935) 8.863 2.031 ( 2.159 -32.390 3.119) 32.611 2.567 ( -3.336 0.956 -4.688) 5.833 4.218 ( 0.742 -11.187 -0.592) 11.227 5.815 ( 16.853 -0.320 9.973) 19.585 6.591 ( 6.057 0.912 -7.861) 9.966 7.403 ( -5.785 -0.589 -6.165) 8.475 9.325 ( 3.791 7.700 1.153) 8.660 14.088 ( 0.702 -8.159 -1.223) 8.280 15.450 ( -1.293 0.146 -2.688) 2.987 16.420 ( -0.161 -12.423 1.901) 12.568 17.539 ( -3.690 11.734 6.040) 13.703 ======================= Grid point 142 (91/860) ======================= q-point: ( 0.47 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 2.859 -7.701 1.505) 8.352 2.464 ( -2.490 0.109 -3.712) 4.471 2.882 ( 0.957 -50.477 0.281) 50.487 4.495 ( 0.653 -19.355 -0.693) 19.378 5.949 ( 7.128 2.157 10.333) 12.737 6.633 ( 13.917 -0.519 -6.885) 15.535 7.342 ( -8.913 -3.189 -5.944) 11.178 9.178 ( 3.733 13.252 2.380) 13.972 14.279 ( 0.446 -12.777 -0.819) 12.811 15.435 ( -0.762 -1.093 -2.688) 3.000 16.675 ( -1.429 -14.908 1.051) 15.014 17.234 ( -2.769 21.659 3.034) 22.045 ======================= Grid point 143 (92/860) ======================= q-point: ( 0.53 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.900 -8.828 -1.362) 8.978 2.471 ( -1.523 -9.263 -2.371) 9.682 3.839 ( 0.947 -54.954 0.419) 54.964 4.884 ( 0.712 -23.772 -0.552) 23.789 5.959 ( 1.546 4.309 6.219) 7.723 6.725 ( 14.260 3.276 -1.769) 14.738 7.352 ( -8.888 -10.617 -5.419) 14.869 8.942 ( 2.938 17.743 2.081) 18.105 14.515 ( 0.395 -13.224 -0.427) 13.236 15.459 ( -0.368 -3.594 -2.157) 4.208 16.731 ( -1.603 26.989 5.536) 27.598 16.938 ( -1.691 -8.317 -4.280) 9.505 ======================= Grid point 144 (93/860) ======================= q-point: ( 0.58 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -0.598 -2.673 -2.184) 3.503 2.817 ( 0.043 -27.950 -0.535) 27.955 4.815 ( 0.773 -54.068 0.213) 54.074 5.324 ( 0.832 -25.094 -0.187) 25.109 5.898 ( -0.139 5.372 2.355) 5.867 6.689 ( 5.357 8.888 0.011) 10.377 7.539 ( -2.930 -17.101 -2.643) 17.550 8.622 ( 1.554 21.234 1.084) 21.319 14.725 ( 0.310 -9.488 0.072) 9.493 15.540 ( -0.077 -6.803 -1.149) 6.900 16.171 ( -0.834 33.344 1.089) 33.372 17.045 ( -0.858 -3.564 -1.327) 3.899 ======================= Grid point 145 (94/860) ======================= q-point: ( 0.63 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 0.000 -4.374 0.000) 4.374 3.386 ( 0.000 -35.469 0.000) 35.469 5.706 ( 0.000 -36.352 0.000) 36.352 5.787 ( -0.000 7.656 -0.000) 7.656 5.811 ( 0.000 -38.703 0.000) 38.703 6.532 ( -0.000 10.455 -0.000) 10.455 7.838 ( 0.000 -17.730 0.000) 17.730 8.235 ( -0.000 23.238 -0.000) 23.238 14.795 ( -0.000 5.160 -0.000) 5.160 15.636 ( -0.000 23.106 -0.000) 23.106 15.688 ( 0.000 -10.123 0.000) 10.123 17.020 ( -0.000 5.600 -0.000) 5.600 ======================= Grid point 161 (95/860) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 2.517 -0.000 2.756) 3.733 1.971 ( 3.118 -0.000 1.910) 3.656 2.537 ( -3.083 0.000 -3.789) 4.885 4.120 ( 0.585 -0.000 -0.326) 0.669 5.979 ( 10.875 -0.000 11.271) 15.662 6.613 ( 9.137 -0.000 -9.927) 13.492 7.319 ( -7.153 0.000 -5.858) 9.245 9.425 ( 2.731 -0.000 1.593) 3.162 14.014 ( 0.658 -0.000 -0.992) 1.190 15.434 ( -1.036 0.000 -1.644) 1.943 16.319 ( 0.670 -0.000 2.020) 2.128 17.643 ( -2.973 0.000 4.901) 5.732 ======================= Grid point 162 (96/860) ======================= q-point: ( 0.47 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 2.509 -4.110 1.275) 4.981 2.079 ( 1.039 -34.657 1.638) 34.711 2.477 ( -2.478 1.940 -3.464) 4.680 4.223 ( 0.400 -11.073 -0.312) 11.085 6.075 ( 3.669 1.743 9.297) 10.146 6.682 ( 13.977 -2.657 -7.979) 16.311 7.224 ( -9.154 0.567 -4.323) 10.139 9.390 ( 2.106 6.883 1.697) 7.395 14.089 ( 0.386 -8.060 -0.641) 8.095 15.416 ( -0.604 0.327 -1.331) 1.498 16.433 ( -0.023 -10.772 1.091) 10.827 17.534 ( -2.007 12.005 3.050) 12.548 ======================= Grid point 163 (97/860) ======================= q-point: ( 0.53 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 0.957 -6.934 0.356) 7.008 2.405 ( -1.148 1.353 -1.604) 2.392 2.897 ( 0.401 -51.338 0.195) 51.340 4.498 ( 0.231 -19.392 -0.238) 19.395 6.067 ( 0.480 4.040 4.002) 5.707 6.855 ( 16.800 -3.562 -1.920) 17.281 7.116 ( -13.242 -1.931 -3.174) 13.753 9.237 ( 1.267 12.712 1.068) 12.819 14.279 ( 0.163 -12.817 -0.288) 12.822 15.410 ( -0.240 -0.964 -0.903) 1.343 16.667 ( -0.463 -14.399 0.421) 14.413 17.223 ( -0.946 22.610 1.026) 22.653 ======================= Grid point 164 (98/860) ======================= q-point: ( 0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.000 -6.337 0.000) 6.337 2.449 ( 0.000 -11.197 0.000) 11.197 3.848 ( 0.000 -55.061 0.000) 55.061 4.887 ( 0.000 -23.984 0.000) 23.984 5.996 ( -0.000 4.971 -0.000) 4.971 6.874 ( -0.000 8.420 -0.000) 8.420 7.218 ( 0.000 -15.909 0.000) 15.909 8.976 ( -0.000 17.574 -0.000) 17.574 14.517 ( 0.000 -13.365 0.000) 13.365 15.446 ( 0.000 -3.590 0.000) 3.590 16.746 ( -0.000 30.535 -0.000) 30.535 16.902 ( 0.000 -11.322 0.000) 11.322 ======================= Grid point 182 (99/860) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.841 -0.000 0.924) 1.250 2.016 ( 1.050 -0.000 0.489) 1.158 2.472 ( -1.317 0.000 -1.605) 2.076 4.124 ( 0.203 -0.000 -0.111) 0.232 6.147 ( 0.924 -0.000 5.592) 5.667 6.718 ( 9.879 -0.000 -5.372) 11.245 7.155 ( -6.525 0.000 -2.060) 6.843 9.470 ( 0.980 -0.000 0.929) 1.350 14.015 ( 0.228 -0.000 -0.337) 0.407 15.413 ( -0.328 0.000 -0.538) 0.630 16.339 ( 0.230 -0.000 0.693) 0.731 17.640 ( -1.058 0.000 1.646) 1.957 ======================= Grid point 183 (100/860) ======================= q-point: ( 0.53 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 0.000 -2.109 0.000) 2.109 2.095 ( 0.000 -36.728 0.000) 36.728 2.438 ( -0.000 2.475 -0.000) 2.475 4.225 ( 0.000 -11.036 0.000) 11.036 6.139 ( -0.000 2.557 -0.000) 2.557 6.806 ( 0.000 -6.383 0.000) 6.383 7.090 ( -0.000 3.341 -0.000) 3.341 9.417 ( -0.000 6.677 -0.000) 6.677 14.089 ( 0.000 -8.028 0.000) 8.028 15.405 ( -0.000 0.393 -0.000) 0.393 16.438 ( 0.000 -10.259 0.000) 10.259 17.532 ( -0.000 12.082 -0.000) 12.082 ======================= Grid point 367 (101/860) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 4.467 -0.000 18.237) 18.776 0.565 ( -7.972 0.000 26.785) 27.946 0.995 ( -11.665 0.000 47.232) 48.651 4.017 ( 1.488 -0.000 -3.179) 3.510 4.248 ( -3.531 0.000 -34.187) 34.368 5.621 ( 4.197 -0.000 30.705) 30.991 8.088 ( -19.925 0.000 -6.843) 21.067 8.528 ( 11.374 -0.000 -3.367) 11.862 14.004 ( -0.239 0.000 -1.470) 1.490 15.970 ( 0.186 -0.000 2.938) 2.944 15.998 ( -0.678 0.000 -1.554) 1.695 18.302 ( -15.861 0.000 2.399) 16.041 ======================= Grid point 368 (102/860) ======================= q-point: ( 0.05 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 11.999 -12.995 15.568) 23.563 0.925 ( -0.852 -16.748 25.793) 30.765 1.581 ( -4.987 -48.852 26.724) 55.906 4.069 ( -1.293 -7.560 -24.218) 25.404 4.297 ( 1.361 -18.103 -16.508) 24.537 5.842 ( 6.224 -4.490 29.301) 30.290 7.253 ( -12.324 31.937 17.399) 38.400 8.543 ( 17.695 12.236 -6.012) 22.338 14.116 ( -1.065 -8.629 1.276) 8.787 15.946 ( -0.458 0.395 -5.204) 5.239 16.853 ( 1.784 -30.165 -20.159) 36.325 18.457 ( -20.665 -26.878 -18.217) 38.488 ======================= Grid point 369 (103/860) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 13.819 -16.682 14.333) 25.975 1.366 ( 1.941 -21.104 22.360) 30.808 2.627 ( -1.747 -58.710 12.863) 60.128 4.121 ( 0.336 -12.436 -27.808) 30.463 4.600 ( 1.229 -20.826 -8.201) 22.416 6.155 ( 7.453 -9.796 25.399) 28.224 6.883 ( -3.705 13.827 7.160) 16.005 8.397 ( 9.945 13.294 -6.202) 17.723 14.293 ( -1.126 -11.052 2.489) 11.384 15.902 ( -0.787 0.696 -7.007) 7.086 16.916 ( 0.254 10.662 0.947) 10.707 18.564 ( -14.681 -12.506 -22.908) 29.945 ======================= Grid point 370 (104/860) ======================= q-point: ( 0.16 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 14.360 -16.346 14.746) 26.284 1.920 ( 1.900 -29.671 15.342) 33.457 3.687 ( -1.251 -56.136 6.044) 56.474 4.240 ( 2.943 -13.629 -24.216) 27.943 4.964 ( 1.020 -22.309 -4.832) 22.849 6.491 ( 4.048 -6.368 15.110) 16.889 6.734 ( 1.901 1.559 7.266) 7.670 8.194 ( 7.763 14.091 -6.321) 17.285 14.489 ( -0.794 -10.051 1.874) 10.255 15.845 ( -0.574 1.132 -8.260) 8.357 16.625 ( -1.017 22.414 8.456) 23.977 18.473 ( -10.151 -0.678 -20.284) 22.693 ======================= Grid point 371 (105/860) ======================= q-point: ( 0.21 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 12.694 -15.148 14.416) 24.462 2.575 ( 1.520 -36.035 8.502) 37.056 4.285 ( -0.130 -13.089 -16.411) 20.992 4.762 ( 4.841 -49.680 0.356) 49.916 5.342 ( 0.858 -21.491 -4.548) 21.984 6.473 ( -2.330 5.410 3.517) 6.861 6.989 ( 8.561 -10.221 10.858) 17.195 7.999 ( 6.925 10.039 -5.076) 13.210 14.622 ( -0.323 -3.671 1.325) 3.916 15.767 ( -0.050 4.259 -6.314) 7.616 16.253 ( -1.716 20.277 7.696) 21.756 18.248 ( -7.533 7.647 -17.735) 20.730 ======================= Grid point 372 (106/860) ======================= q-point: ( 0.26 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 8.834 -14.961 11.526) 20.849 3.275 ( 1.622 -38.044 3.356) 38.226 4.402 ( 3.288 -7.496 -10.652) 13.433 5.644 ( 4.895 -32.892 3.865) 33.478 5.677 ( 1.742 -27.012 -11.230) 29.305 6.417 ( -2.882 -1.529 4.490) 5.550 7.142 ( 7.880 5.521 1.218) 9.698 7.993 ( 5.757 -6.162 0.362) 8.440 14.584 ( -0.486 10.306 4.728) 11.350 15.609 ( 0.008 10.537 -1.348) 10.623 16.044 ( -0.840 3.485 -0.689) 3.650 17.923 ( -6.015 13.818 -15.755) 21.803 ======================= Grid point 373 (107/860) ======================= q-point: ( 0.32 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 3.688 -15.669 6.386) 17.318 3.947 ( 2.331 -33.788 1.014) 33.884 4.533 ( 5.452 -8.069 -3.517) 10.354 5.846 ( 2.039 -5.927 -6.381) 8.945 6.173 ( 6.077 -6.227 -2.140) 8.961 6.700 ( -0.809 -31.097 1.135) 31.128 7.032 ( 4.219 5.910 -2.026) 7.539 8.243 ( 4.315 -13.787 2.566) 14.672 14.289 ( -1.702 24.804 10.673) 27.056 15.465 ( 0.723 3.531 -4.353) 5.652 16.054 ( 0.461 -4.040 -2.330) 4.686 17.527 ( -5.030 17.379 -14.457) 23.158 ======================= Grid point 374 (108/860) ======================= q-point: ( 0.37 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( -1.235 -15.769 0.925) 15.845 4.440 ( 5.219 -15.067 4.868) 16.672 4.807 ( 4.006 -21.330 -2.186) 21.813 5.875 ( 3.311 1.332 -5.336) 6.420 6.127 ( 6.378 12.292 -4.238) 14.482 6.913 ( -0.309 -3.292 -0.195) 3.312 7.424 ( 1.278 -35.027 -0.765) 35.059 8.515 ( 2.612 -11.890 1.391) 12.253 13.841 ( -2.455 28.326 11.373) 30.623 15.448 ( 1.139 -2.539 -4.156) 5.002 16.131 ( 1.373 -3.413 -0.386) 3.699 17.118 ( -4.150 16.027 -13.797) 21.551 ======================= Grid point 375 (109/860) ======================= q-point: ( 0.42 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( -3.708 -13.447 -1.699) 14.052 4.654 ( 3.868 -3.473 3.096) 6.051 5.239 ( 1.482 -22.809 -2.305) 22.973 5.790 ( 9.192 11.651 -2.311) 15.020 5.955 ( 1.756 5.513 -0.816) 5.843 7.000 ( -1.926 -5.925 1.360) 6.377 7.979 ( 1.454 -25.633 -1.680) 25.729 8.703 ( 0.886 -7.345 -0.475) 7.413 13.400 ( -2.284 23.383 7.996) 24.818 15.520 ( 0.749 -5.520 -0.661) 5.609 16.151 ( 1.304 3.805 1.455) 4.277 16.822 ( -2.450 5.776 -12.129) 13.656 ======================= Grid point 376 (110/860) ======================= q-point: ( 0.47 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( -2.478 -7.785 -0.138) 8.171 4.606 ( -4.156 6.772 -12.051) 14.434 5.512 ( -0.660 -7.412 -2.456) 7.836 5.801 ( 11.595 -3.522 14.817) 19.142 5.925 ( 0.515 0.161 1.052) 1.182 7.066 ( -1.796 -2.017 0.836) 2.827 8.302 ( 0.798 -10.040 -1.565) 10.193 8.780 ( -0.742 -1.923 -2.516) 3.253 13.086 ( -1.500 12.469 3.364) 13.002 15.625 ( -0.090 -4.611 2.507) 5.249 16.050 ( -0.071 6.082 -0.325) 6.091 16.777 ( 0.591 -5.116 -6.044) 7.941 ======================= Grid point 377 (111/860) ======================= q-point: (-0.47 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( 1.119 5.315 1.515) 5.639 4.340 ( -11.414 3.394 -18.364) 21.887 5.531 ( -1.371 4.400 2.165) 5.092 5.949 ( 0.628 -2.218 0.817) 2.446 6.116 ( 6.939 -10.704 20.579) 24.212 7.042 ( -0.990 3.392 -0.205) 3.539 8.315 ( -0.121 8.312 -1.073) 8.382 8.735 ( -2.261 3.702 -4.583) 6.311 12.990 ( -0.561 -2.191 -0.490) 2.315 15.679 ( -0.962 -0.317 4.836) 4.941 15.997 ( -0.946 -1.399 -3.081) 3.513 16.916 ( 3.187 -9.957 0.037) 10.455 ======================= Grid point 378 (112/860) ======================= q-point: (-0.42 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( -1.149 19.715 -5.046) 20.383 4.235 ( -11.219 -8.493 -9.328) 16.882 5.333 ( -3.035 17.388 3.037) 17.910 6.007 ( 0.890 -2.722 2.275) 3.658 6.421 ( 1.034 -7.145 17.808) 19.216 6.965 ( 0.580 2.797 0.519) 2.904 8.006 ( -0.840 25.151 -0.623) 25.173 8.572 ( -3.740 8.928 -6.580) 11.704 13.151 ( 0.117 -16.613 -2.301) 16.772 15.695 ( -1.558 0.192 6.792) 6.971 16.012 ( -1.309 -2.667 -5.389) 6.153 17.174 ( 5.291 -14.254 3.194) 15.536 ======================= Grid point 379 (113/860) ======================= q-point: (-0.37 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -6.762 20.595 -9.232) 23.561 4.272 ( -6.925 -2.803 -0.583) 7.493 4.931 ( -4.821 22.856 2.267) 23.469 6.078 ( 1.268 -2.704 2.849) 4.128 6.437 ( -2.266 10.368 6.348) 12.366 7.060 ( -0.130 -9.838 8.529) 13.021 7.435 ( -1.085 37.438 -0.322) 37.455 8.305 ( -5.425 12.684 -8.465) 16.186 13.535 ( 0.361 -26.882 -2.033) 26.961 15.697 ( -2.020 1.932 6.226) 6.824 16.017 ( -0.759 -1.951 -4.742) 5.184 17.522 ( 6.875 -17.307 3.003) 18.863 ======================= Grid point 380 (114/860) ======================= q-point: (-0.32 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -11.151 17.961 -9.689) 23.255 3.989 ( -3.430 32.485 3.290) 32.831 4.693 ( -6.626 -2.102 2.069) 7.253 6.064 ( -1.710 14.622 4.024) 15.262 6.247 ( 0.980 2.524 -0.913) 2.857 6.697 ( -0.733 43.883 1.078) 43.902 7.261 ( -2.594 -5.259 9.462) 11.132 7.994 ( -7.781 9.063 -9.419) 15.212 14.046 ( 0.138 -29.779 -0.578) 29.785 15.653 ( -1.924 2.725 2.964) 4.462 16.029 ( 0.239 -1.200 -1.971) 2.320 17.908 ( 8.208 -17.819 1.226) 19.657 ======================= Grid point 381 (115/860) ======================= q-point: (-0.26 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -14.332 15.662 -8.512) 22.873 3.277 ( -3.620 43.116 3.001) 43.372 4.752 ( -4.800 -4.991 3.957) 7.976 5.574 ( -5.727 36.714 0.940) 37.170 5.959 ( 1.453 35.610 -0.549) 35.644 6.321 ( 2.904 -3.692 1.964) 5.091 7.136 ( -4.750 19.037 1.380) 19.669 7.914 ( -9.121 -11.471 -3.077) 14.975 14.499 ( -0.734 -18.367 0.984) 18.408 15.667 ( -0.872 -7.542 0.763) 7.630 16.037 ( 1.124 0.378 -0.805) 1.433 18.282 ( 9.733 -15.734 -0.818) 18.519 ======================= Grid point 382 (116/860) ======================= q-point: (-0.21 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -16.103 14.605 -6.365) 22.652 2.495 ( -4.506 42.490 3.949) 42.910 4.560 ( 0.409 43.245 1.396) 43.269 4.983 ( -9.962 4.655 4.437) 11.857 5.425 ( 0.335 27.303 -1.540) 27.348 6.395 ( 4.636 4.769 1.359) 6.788 6.687 ( -6.926 18.610 -2.359) 19.996 8.100 ( -9.093 -16.567 -0.157) 18.899 14.622 ( -1.545 2.789 1.602) 3.569 15.959 ( 0.571 -21.756 -3.463) 22.037 16.036 ( 1.362 -1.709 3.096) 3.790 18.604 ( 11.892 -11.598 -3.007) 16.882 ======================= Grid point 383 (117/860) ======================= q-point: (-0.16 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -15.782 14.907 -3.224) 21.947 1.771 ( -6.624 36.568 7.431) 37.898 3.596 ( -2.320 59.539 3.940) 59.714 4.938 ( 1.900 18.574 3.265) 18.955 4.995 ( -9.212 1.813 -7.928) 12.289 6.008 ( -2.887 29.577 4.051) 29.993 6.635 ( 1.223 -5.935 0.387) 6.072 8.313 ( -9.806 -16.014 -0.584) 18.787 14.479 ( -1.522 10.922 2.142) 11.233 16.004 ( 2.110 0.905 -3.597) 4.268 16.460 ( 0.297 -26.515 2.773) 26.661 18.850 ( 15.175 -5.840 -6.277) 17.430 ======================= Grid point 384 (118/860) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -12.671 15.251 2.524) 19.988 1.185 ( -10.356 27.200 14.281) 32.419 2.515 ( -4.450 62.343 9.341) 63.196 4.550 ( 1.457 19.546 -5.160) 20.268 4.886 ( -7.917 3.804 -20.964) 22.729 5.582 ( -1.507 19.701 21.739) 29.376 6.785 ( 1.818 -8.585 5.388) 10.297 8.487 ( -12.600 -14.418 -1.999) 19.252 14.278 ( -1.358 11.024 2.911) 11.483 15.991 ( 1.867 0.458 -3.619) 4.098 16.881 ( 0.986 -18.165 -0.399) 18.196 18.981 ( 19.853 3.041 -14.050) 24.511 ======================= Grid point 385 (119/860) ======================= q-point: (-0.05 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -7.166 12.376 11.926) 18.621 0.787 ( -11.514 17.791 24.013) 32.026 1.463 ( -8.812 55.410 22.774) 60.552 4.236 ( 2.020 14.535 -10.093) 17.811 4.551 ( -5.866 10.312 -30.747) 32.957 5.500 ( 0.953 5.764 30.745) 31.295 7.136 ( 2.911 -30.035 24.105) 38.622 8.584 ( -21.256 -13.174 -4.339) 25.381 14.115 ( -1.087 7.464 2.470) 7.937 15.983 ( 1.191 0.011 -3.760) 3.945 16.978 ( 5.542 15.815 -19.530) 25.734 18.817 ( 17.848 27.356 -31.197) 45.168 ======================= Grid point 387 (120/860) ======================= q-point: ( 0.05 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -1.890 0.000 24.141) 24.214 0.733 ( 14.870 -0.000 17.433) 22.913 1.330 ( 0.612 -0.000 42.592) 42.596 3.927 ( 3.752 -0.000 -34.733) 34.935 4.014 ( 1.884 -0.000 -3.408) 3.895 6.004 ( 8.778 -0.000 28.232) 29.565 7.511 ( -29.464 0.000 12.617) 32.052 9.036 ( 38.853 -0.000 -31.534) 50.039 13.988 ( 0.208 -0.000 -1.973) 1.984 15.944 ( -3.284 0.000 -2.393) 4.064 16.009 ( 0.670 -0.000 3.884) 3.941 18.049 ( -20.484 0.000 16.059) 26.028 ======================= Grid point 388 (121/860) ======================= q-point: ( 0.11 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 7.495 -11.787 18.339) 23.053 1.221 ( 10.186 -21.537 18.737) 30.309 1.807 ( 1.358 -34.749 29.112) 45.352 3.840 ( 5.697 -5.544 -29.987) 31.022 4.214 ( 1.758 -18.167 -8.623) 20.187 6.239 ( 10.227 -3.373 26.321) 28.438 7.168 ( -12.462 17.824 11.623) 24.660 8.806 ( 22.928 25.009 -16.033) 37.526 14.105 ( -0.881 -10.008 -0.193) 10.049 15.875 ( -1.881 0.851 -5.797) 6.154 16.679 ( -2.146 -39.696 -14.665) 42.373 18.055 ( -19.772 -11.295 5.443) 23.412 ======================= Grid point 389 (122/860) ======================= q-point: ( 0.16 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 5.039 -18.743 15.101) 24.592 1.718 ( 13.773 -14.546 21.525) 29.404 2.731 ( -0.249 -53.556 12.755) 55.054 3.922 ( 7.621 -12.061 -27.520) 30.998 4.550 ( 1.351 -22.066 -7.079) 23.213 6.523 ( 9.494 -5.518 21.449) 24.097 6.883 ( -3.637 11.114 7.681) 13.990 8.518 ( 13.221 18.141 -10.278) 24.688 14.293 ( -1.023 -11.601 1.364) 11.726 15.814 ( -1.645 0.793 -7.482) 7.702 16.919 ( -0.778 3.535 0.401) 3.642 18.124 ( -17.133 -13.765 -12.768) 25.417 ======================= Grid point 390 (123/860) ======================= q-point: ( 0.21 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 5.188 -22.118 10.730) 25.125 2.189 ( 10.404 -17.675 18.413) 27.562 3.697 ( -1.656 -48.184 0.830) 48.220 4.145 ( 10.692 -20.281 -18.203) 29.274 4.935 ( 1.284 -23.132 -4.934) 23.687 6.589 ( -2.305 7.359 5.216) 9.310 6.960 ( 10.458 -8.464 16.237) 21.087 8.266 ( 9.340 15.842 -8.816) 20.394 14.491 ( -0.589 -10.210 1.070) 10.283 15.755 ( -0.957 0.360 -8.148) 8.212 16.686 ( -1.729 21.556 9.281) 23.533 18.104 ( -12.389 -5.415 -17.991) 22.505 ======================= Grid point 391 (124/860) ======================= q-point: ( 0.26 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 6.033 -16.750 8.262) 19.627 2.717 ( 4.568 -28.279 10.117) 30.380 4.183 ( 5.298 -15.770 -12.630) 20.888 4.844 ( 6.026 -48.131 -2.079) 48.551 5.326 ( 1.750 -21.446 -2.932) 21.716 6.464 ( -2.782 5.462 3.342) 6.981 7.268 ( 12.163 -5.022 11.927) 17.760 8.051 ( 6.329 9.584 -7.629) 13.788 14.630 ( 0.055 -4.472 0.975) 4.578 15.707 ( -0.086 1.304 -6.256) 6.391 16.292 ( -2.595 23.287 8.059) 24.779 17.948 ( -8.994 3.807 -16.847) 19.473 ======================= Grid point 392 (125/860) ======================= q-point: ( 0.32 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 2.871 -12.777 4.076) 13.715 3.345 ( 2.553 -35.144 2.995) 35.364 4.416 ( 8.697 -9.884 -5.177) 14.147 5.609 ( 2.525 -24.021 -10.189) 26.214 5.772 ( 5.974 -35.895 3.574) 36.564 6.411 ( -3.118 -1.567 4.435) 5.643 7.320 ( 11.607 14.422 2.344) 18.660 8.063 ( 3.587 -9.301 -1.906) 10.149 14.624 ( -0.120 7.979 4.956) 9.393 15.597 ( 0.106 10.129 -1.205) 10.201 16.014 ( -1.590 4.981 -1.609) 5.471 17.674 ( -6.805 11.340 -14.484) 19.614 ======================= Grid point 393 (126/860) ======================= q-point: ( 0.37 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( -1.298 -12.825 -0.986) 12.928 3.998 ( 2.857 -34.712 -0.213) 34.830 4.633 ( 9.085 -7.565 0.724) 11.844 5.835 ( 3.339 -6.834 -5.612) 9.452 6.279 ( 6.790 -5.379 0.955) 8.715 6.700 ( -0.808 -32.760 1.419) 32.801 7.105 ( 6.465 12.803 -1.044) 14.381 8.310 ( 2.563 -13.787 -0.151) 14.024 14.362 ( -1.854 24.363 10.983) 26.789 15.441 ( 0.966 4.069 -3.899) 5.718 16.030 ( 0.218 -6.251 -4.177) 7.521 17.314 ( -5.296 16.098 -12.530) 21.076 ======================= Grid point 394 (127/860) ======================= q-point: ( 0.42 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -4.309 -14.079 -4.040) 15.268 4.563 ( 5.685 -21.121 1.883) 21.953 4.850 ( 4.285 -13.142 -2.128) 13.986 5.897 ( 3.488 -0.338 -2.932) 4.569 6.270 ( 11.327 14.006 3.066) 18.272 6.898 ( -1.374 -1.409 -0.111) 1.971 7.440 ( 1.596 -34.435 -0.953) 34.485 8.545 ( 1.125 -10.920 -1.384) 11.064 13.900 ( -2.797 29.443 10.417) 31.357 15.438 ( 1.549 -3.505 -2.844) 4.772 16.141 ( 1.226 -6.051 -1.950) 6.474 16.930 ( -4.087 15.336 -11.675) 19.703 ======================= Grid point 395 (128/860) ======================= q-point: ( 0.47 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( -5.618 -14.898 -4.254) 16.480 4.705 ( 4.275 7.314 -4.188) 9.451 5.212 ( 0.016 -22.965 -3.960) 23.304 5.905 ( 3.188 0.807 -1.055) 3.454 6.126 ( 13.444 13.546 12.324) 22.718 6.968 ( -3.223 -6.495 0.696) 7.284 7.985 ( 1.301 -25.152 -1.914) 25.258 8.690 ( -0.341 -6.168 -3.127) 6.923 13.429 ( -2.493 24.629 6.610) 25.623 15.535 ( 1.022 -6.183 0.620) 6.298 16.179 ( 0.850 4.676 0.855) 4.829 16.679 ( -1.887 1.454 -10.677) 10.939 ======================= Grid point 396 (129/860) ======================= q-point: (-0.47 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( -4.866 -13.731 -1.849) 14.684 4.413 ( -2.247 19.195 -14.914) 24.411 5.503 ( 0.244 -9.435 0.600) 9.457 5.924 ( 1.830 -1.303 -0.700) 2.353 6.191 ( 11.987 0.341 20.597) 23.834 7.033 ( -2.710 -2.737 0.085) 3.852 8.297 ( 0.457 -9.617 -1.937) 9.821 8.724 ( -1.612 -0.636 -4.850) 5.151 13.090 ( -1.588 13.456 2.749) 13.825 15.651 ( 0.010 -4.675 2.989) 5.549 16.036 ( -0.630 7.882 -1.173) 7.993 16.743 ( 1.332 -10.334 -4.734) 11.444 ======================= Grid point 397 (130/860) ======================= q-point: (-0.42 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.587 ( 0.472 2.807 1.660) 3.295 3.980 ( -10.848 7.385 -18.158) 22.404 5.540 ( -0.665 5.799 2.670) 6.418 5.979 ( 1.827 -2.757 1.285) 3.548 6.426 ( 7.047 -5.232 20.173) 22.000 7.015 ( -1.709 2.094 -0.502) 2.749 8.299 ( -0.391 8.521 -1.569) 8.673 8.640 ( -2.760 5.192 -6.404) 8.694 12.979 ( -0.619 -1.624 0.224) 1.753 15.711 ( -0.855 -0.739 4.981) 5.107 15.947 ( -1.105 0.265 -3.825) 3.991 16.969 ( 3.371 -13.953 -0.392) 14.360 ======================= Grid point 398 (131/860) ======================= q-point: (-0.37 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( -3.175 26.580 -8.247) 28.011 3.998 ( -9.339 -15.526 -4.494) 18.667 5.318 ( -2.071 19.255 2.408) 19.515 6.051 ( 1.775 -2.743 2.234) 3.958 6.593 ( 1.327 2.479 13.306) 13.599 6.987 ( 0.248 -2.035 3.436) 4.001 7.985 ( -0.784 25.154 -1.066) 25.189 8.438 ( -3.972 10.719 -7.803) 13.840 13.140 ( 0.031 -16.464 -0.400) 16.469 15.732 ( -1.460 0.348 6.130) 6.312 15.940 ( -1.088 -2.480 -5.417) 6.056 17.277 ( 4.880 -16.772 0.806) 17.486 ======================= Grid point 399 (132/860) ======================= q-point: (-0.32 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -7.281 24.454 -8.392) 26.859 4.165 ( -6.246 -8.813 0.692) 10.824 4.877 ( -3.558 26.421 1.022) 26.679 6.128 ( 1.859 -3.050 1.997) 4.093 6.458 ( -1.310 14.852 3.884) 15.408 7.147 ( 0.020 -9.885 9.610) 13.786 7.417 ( -0.745 37.137 -0.441) 37.147 8.128 ( -5.460 15.285 -9.146) 18.631 13.533 ( 0.229 -26.896 0.435) 26.901 15.710 ( -1.986 3.192 3.328) 5.021 15.970 ( -0.315 -3.721 -2.973) 4.774 17.639 ( 5.897 -18.828 -0.493) 19.737 ======================= Grid point 400 (133/860) ======================= q-point: (-0.26 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -9.484 21.236 -6.016) 24.023 3.968 ( -2.829 32.098 2.936) 32.356 4.595 ( -5.913 -3.567 -0.199) 6.908 6.075 ( -1.187 21.879 3.489) 22.187 6.254 ( 1.367 -1.664 -2.734) 3.480 6.699 ( -0.422 41.789 1.550) 41.820 7.346 ( 0.765 -2.825 11.431) 11.800 7.757 ( -8.742 11.181 -11.535) 18.289 14.052 ( -0.036 -29.515 1.649) 29.561 15.640 ( -1.659 2.872 0.638) 3.377 16.020 ( 0.383 -2.422 -0.982) 2.642 18.023 ( 6.529 -19.352 -2.728) 20.605 ======================= Grid point 401 (134/860) ======================= q-point: (-0.21 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -9.845 18.769 -2.446) 21.335 3.252 ( -2.795 43.660 2.636) 43.828 4.688 ( -4.691 -8.234 -0.310) 9.482 5.513 ( -3.313 40.496 1.680) 40.666 5.963 ( 1.258 33.566 -3.620) 33.784 6.385 ( 1.675 -4.208 3.086) 5.480 7.107 ( -1.601 27.527 2.206) 27.661 7.743 ( -7.394 -15.506 -2.658) 17.383 14.501 ( -0.803 -17.393 2.051) 17.532 15.658 ( -0.640 -8.418 0.050) 8.442 16.046 ( 0.894 -0.518 -0.648) 1.220 18.391 ( 6.940 -17.918 -5.194) 19.905 ======================= Grid point 402 (135/860) ======================= q-point: (-0.16 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -7.721 17.512 2.282) 19.274 2.470 ( -3.284 42.816 4.425) 43.169 4.584 ( 1.208 45.406 1.091) 45.435 4.831 ( -8.635 2.667 -3.371) 9.646 5.421 ( 0.855 28.035 -1.995) 28.119 6.498 ( 4.367 1.934 3.560) 5.957 6.586 ( -4.673 22.146 1.411) 22.677 7.969 ( -5.450 -15.880 -1.363) 16.844 14.615 ( -1.311 2.967 1.799) 3.709 15.926 ( 0.605 -15.186 -5.465) 16.150 16.093 ( 0.587 -9.152 5.335) 10.610 18.708 ( 7.031 -14.689 -8.417) 18.332 ======================= Grid point 403 (136/860) ======================= q-point: (-0.11 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -2.326 17.082 8.214) 19.096 1.759 ( -4.270 36.958 9.151) 38.312 3.608 ( -1.698 59.608 5.678) 59.901 4.736 ( -6.658 4.578 -18.009) 19.738 4.981 ( 1.885 20.540 -0.819) 20.643 6.078 ( 0.091 26.484 14.360) 30.127 6.663 ( 0.859 -8.035 1.516) 8.222 8.184 ( -3.921 -13.394 -2.256) 14.137 14.478 ( -1.256 10.556 2.463) 10.912 15.982 ( 1.077 -0.541 -6.369) 6.482 16.503 ( 0.081 -24.915 5.597) 25.536 18.928 ( 5.787 -9.438 -14.170) 17.982 ======================= Grid point 404 (137/860) ======================= q-point: (-0.05 0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 6.146 15.989 13.907) 22.064 1.212 ( -5.060 26.805 18.153) 32.766 2.552 ( -3.167 61.350 11.642) 62.525 4.399 ( -4.036 13.509 -22.122) 26.233 4.668 ( 0.858 16.347 -11.980) 20.285 5.826 ( 3.068 13.932 26.132) 29.772 6.854 ( -0.985 -12.867 7.317) 14.835 8.353 ( -0.343 -9.425 -3.299) 9.991 14.285 ( -1.214 10.866 3.087) 11.361 15.966 ( 0.459 -0.249 -5.719) 5.742 16.898 ( 0.832 -15.213 0.692) 15.251 18.944 ( -0.990 2.681 -25.256) 25.417 ======================= Grid point 407 (138/860) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 1.364 -0.000 20.333) 20.379 1.112 ( 9.493 -0.000 20.089) 22.219 1.793 ( 11.097 -0.000 34.823) 36.549 3.729 ( 11.541 -0.000 -33.787) 35.703 4.015 ( 2.260 -0.000 -3.563) 4.219 6.421 ( 11.597 -0.000 24.285) 26.912 7.272 ( -15.818 0.000 11.094) 19.321 9.214 ( 22.642 -0.000 -33.753) 40.644 13.975 ( 0.612 -0.000 -2.157) 2.242 15.855 ( -4.278 0.000 -3.044) 5.250 16.062 ( 1.090 -0.000 4.331) 4.466 17.935 ( -13.679 0.000 17.317) 22.068 ======================= Grid point 408 (139/860) ======================= q-point: ( 0.16 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 3.894 -11.468 19.231) 22.727 1.533 ( 7.514 -29.848 14.999) 34.240 2.168 ( 9.198 -17.003 27.254) 33.413 3.724 ( 14.759 -5.133 -29.012) 32.952 4.179 ( 2.354 -16.297 -6.301) 17.630 6.641 ( 10.599 -2.060 20.300) 22.993 7.092 ( -8.307 11.299 10.189) 17.334 8.956 ( 17.044 23.070 -21.242) 35.692 14.087 ( -0.456 -10.559 -1.137) 10.630 15.781 ( -2.852 1.205 -5.679) 6.468 16.536 ( -2.849 -36.117 -6.627) 36.831 17.880 ( -13.197 1.964 12.076) 17.996 ======================= Grid point 409 (140/860) ======================= q-point: ( 0.21 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 2.397 -15.878 16.238) 22.837 2.124 ( 12.045 -16.186 16.955) 26.354 2.842 ( 0.231 -43.941 9.695) 44.998 3.891 ( 17.923 -11.923 -21.465) 30.400 4.516 ( 2.173 -22.167 -6.143) 23.105 6.731 ( -2.617 7.168 6.967) 10.333 7.025 ( 8.868 -1.676 16.500) 18.807 8.620 ( 12.360 19.515 -12.615) 26.320 14.286 ( -0.794 -12.245 0.257) 12.273 15.714 ( -2.065 0.625 -7.286) 7.599 16.896 ( -2.107 -5.978 -0.333) 6.348 17.793 ( -14.187 -3.789 -3.156) 15.020 ======================= Grid point 410 (141/860) ======================= q-point: ( 0.26 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 1.678 -21.516 10.513) 24.005 2.499 ( 7.687 -11.467 12.136) 18.381 3.672 ( 0.707 -43.091 -2.377) 43.163 4.255 ( 17.878 -22.404 -9.212) 30.107 4.921 ( 2.324 -23.869 -3.920) 24.300 6.571 ( -3.989 7.815 2.891) 9.238 7.295 ( 11.469 -8.386 14.391) 20.222 8.331 ( 9.399 17.847 -9.541) 22.313 14.490 ( -0.317 -10.677 0.333) 10.687 15.665 ( -1.078 -0.655 -7.612) 7.716 16.741 ( -2.449 20.799 9.855) 23.145 17.751 ( -11.854 -6.612 -14.618) 19.948 ======================= Grid point 411 (142/860) ======================= q-point: ( 0.32 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 1.357 -16.606 3.917) 17.116 2.853 ( 2.237 -22.500 4.668) 23.088 4.250 ( 11.691 -19.473 -2.678) 22.870 4.920 ( 7.621 -41.368 -5.220) 42.386 5.353 ( 3.279 -23.692 0.168) 23.918 6.442 ( -3.241 4.576 2.394) 6.097 7.587 ( 12.465 -4.021 11.368) 17.343 8.063 ( 5.279 12.354 -9.441) 16.421 14.642 ( 0.458 -5.636 0.742) 5.703 15.649 ( -0.052 -1.316 -5.960) 6.104 16.317 ( -3.470 26.489 7.799) 27.831 17.654 ( -8.678 0.859 -14.434) 16.864 ======================= Grid point 412 (143/860) ======================= q-point: ( 0.37 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -1.247 -10.295 -2.324) 10.628 3.392 ( 1.114 -33.940 0.367) 33.960 4.605 ( 14.922 -9.038 3.338) 17.762 5.570 ( 3.660 -25.423 -9.008) 27.219 5.897 ( 5.246 -35.349 3.293) 35.887 6.394 ( -3.455 -1.803 3.388) 5.164 7.546 ( 12.604 22.531 2.265) 25.916 8.079 ( 1.507 -12.910 -3.062) 13.353 14.671 ( 0.261 5.706 4.861) 7.500 15.590 ( 0.200 9.388 -0.783) 9.422 15.960 ( -2.332 6.837 -2.940) 7.799 17.442 ( -6.369 9.180 -11.642) 16.136 ======================= Grid point 413 (144/860) ======================= q-point: ( 0.42 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -3.751 -10.920 -5.671) 12.863 4.026 ( 1.650 -35.931 -1.620) 36.005 4.846 ( 13.213 -2.668 4.839) 14.322 5.849 ( 4.075 -8.055 -4.529) 10.099 6.387 ( 4.157 -7.827 2.166) 9.124 6.696 ( -1.022 -34.845 1.004) 34.875 7.225 ( 8.414 19.722 0.655) 21.452 8.327 ( 0.995 -13.582 -2.300) 13.811 14.430 ( -1.989 24.708 10.106) 26.769 15.425 ( 1.133 3.953 -3.119) 5.161 15.985 ( 0.026 -8.538 -5.600) 10.211 17.129 ( -4.712 15.058 -9.246) 18.288 ======================= Grid point 414 (145/860) ======================= q-point: ( 0.47 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -5.377 -13.327 -6.518) 15.780 4.643 ( 3.054 -31.007 -0.574) 31.162 4.934 ( 8.021 4.181 -0.718) 9.074 5.927 ( 3.266 -0.605 -2.245) 4.009 6.516 ( 10.941 4.317 7.698) 14.057 6.875 ( -1.094 4.597 1.172) 4.869 7.457 ( 1.724 -32.792 -1.262) 32.861 8.528 ( -0.252 -10.073 -3.706) 10.736 13.941 ( -2.965 30.658 8.256) 31.888 15.445 ( 1.813 -4.607 -1.458) 5.161 16.135 ( 1.014 -8.989 -3.083) 9.557 16.774 ( -3.458 15.367 -8.218) 17.767 ======================= Grid point 415 (146/860) ======================= q-point: ( 0.53 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -6.286 -15.830 -5.711) 17.964 4.733 ( 5.201 19.181 -6.274) 20.840 5.192 ( 0.708 -25.060 -0.992) 25.090 5.936 ( 2.667 0.777 -1.274) 3.056 6.501 ( 14.254 11.248 16.525) 24.551 6.910 ( -4.249 -7.353 0.333) 8.499 7.983 ( 0.711 -24.581 -2.347) 24.703 8.638 ( -1.214 -5.284 -5.018) 7.387 13.442 ( -2.511 25.401 4.771) 25.967 15.562 ( 1.129 -6.440 1.204) 6.648 16.195 ( 0.289 6.356 0.454) 6.379 16.567 ( -0.981 -3.136 -7.969) 8.620 ======================= Grid point 416 (147/860) ======================= q-point: (-0.42 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( -6.521 -17.649 -3.952) 19.225 4.282 ( 0.830 28.452 -10.505) 30.341 5.523 ( 0.470 -9.973 1.901) 10.164 5.954 ( 2.613 -1.582 -0.491) 3.094 6.564 ( 10.230 2.881 18.726) 21.532 6.984 ( -2.983 -3.446 -0.070) 4.559 8.278 ( -0.291 -9.273 -2.583) 9.630 8.645 ( -1.642 0.384 -5.706) 5.950 13.087 ( -1.581 13.764 2.198) 14.028 15.677 ( 0.012 -4.586 2.444) 5.197 16.012 ( -0.805 9.308 -1.286) 9.431 16.731 ( 1.712 -14.139 -3.168) 14.591 ======================= Grid point 417 (148/860) ======================= q-point: (-0.37 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( -4.810 -16.233 -0.519) 16.939 3.696 ( -3.364 29.030 -11.177) 31.288 5.552 ( -0.598 6.860 2.027) 7.179 6.028 ( 2.544 -3.121 1.059) 4.164 6.696 ( 4.856 -0.057 15.071) 15.834 6.985 ( -1.633 0.223 0.473) 1.715 8.271 ( -0.854 8.181 -2.338) 8.551 8.540 ( -1.970 6.976 -5.858) 9.320 12.975 ( -0.689 -1.688 1.196) 2.181 15.739 ( -0.837 -1.412 3.663) 4.014 15.896 ( -0.822 1.922 -3.123) 3.758 17.015 ( 3.035 -16.495 -1.171) 16.813 ======================= Grid point 418 (149/860) ======================= q-point: (-0.32 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( -3.340 30.355 -6.398) 31.201 3.851 ( -5.958 -17.735 -0.544) 18.717 5.306 ( -1.482 20.698 1.206) 20.786 6.098 ( 1.882 -2.484 0.822) 3.223 6.692 ( -0.204 9.218 5.991) 10.995 7.035 ( -0.148 -6.173 5.162) 8.048 7.961 ( -0.599 24.704 -1.479) 24.756 8.316 ( -2.447 12.994 -5.716) 14.405 13.145 ( -0.152 -16.694 1.745) 16.786 15.749 ( -1.592 1.220 1.964) 2.807 15.889 ( -0.305 -2.963 -1.922) 3.545 17.344 ( 3.876 -18.263 -1.952) 18.772 ======================= Grid point 419 (150/860) ======================= q-point: (-0.26 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -4.220 27.254 -2.724) 27.713 4.084 ( -4.620 -11.628 1.362) 12.586 4.834 ( -2.177 29.165 -0.318) 29.248 6.164 ( 1.472 -3.580 -0.739) 3.941 6.465 ( -1.462 17.213 2.522) 17.458 7.207 ( -1.781 -10.944 3.704) 11.691 7.403 ( -0.339 36.498 -0.571) 36.504 7.992 ( -2.232 18.926 -4.110) 19.495 13.550 ( -0.059 -26.941 3.034) 27.111 15.690 ( -1.716 3.573 -1.205) 4.142 15.958 ( 0.210 -4.246 0.512) 4.282 17.700 ( 4.222 -19.799 -4.247) 20.685 ======================= Grid point 420 (151/860) ======================= q-point: (-0.21 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -3.314 23.716 1.777) 24.013 3.949 ( -2.405 31.585 2.150) 31.750 4.509 ( -3.261 -3.045 -1.674) 4.765 6.083 ( -1.453 25.908 2.291) 26.050 6.233 ( 0.999 -2.577 -5.718) 6.351 6.713 ( -0.341 38.641 2.642) 38.733 7.411 ( -5.509 -13.870 -4.271) 15.523 7.584 ( 1.105 24.466 3.336) 24.717 14.075 ( -0.358 -28.928 3.862) 29.187 15.612 ( -1.176 2.030 -1.572) 2.824 16.023 ( 0.523 -2.379 0.031) 2.436 18.065 ( 4.050 -20.295 -6.781) 21.778 ======================= Grid point 421 (152/860) ======================= q-point: (-0.16 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -0.117 20.586 6.896) 21.711 3.235 ( -2.031 43.443 2.236) 43.548 4.608 ( -2.484 -7.731 -3.814) 8.972 5.492 ( -1.493 41.911 2.087) 41.990 5.928 ( 0.465 30.272 -6.891) 31.050 6.427 ( -0.270 -2.689 3.356) 4.309 7.090 ( -2.227 26.400 -0.383) 26.497 7.665 ( -0.424 -13.557 1.168) 13.613 14.510 ( -0.866 -16.031 2.966) 16.326 15.647 ( -0.413 -9.386 -0.533) 9.410 16.054 ( 0.618 -1.172 -0.426) 1.392 18.407 ( 3.251 -18.783 -9.495) 21.296 ======================= Grid point 422 (153/860) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 5.306 18.195 12.005) 22.436 2.471 ( -2.033 41.983 5.171) 42.349 4.622 ( 3.129 38.025 -1.400) 38.179 4.652 ( -6.562 14.677 -7.168) 17.602 5.407 ( 0.382 26.008 -3.246) 26.213 6.510 ( -2.872 -1.083 0.781) 3.167 6.641 ( 3.198 20.958 8.171) 22.721 7.910 ( 0.323 -14.211 -2.031) 14.359 14.613 ( -1.000 3.083 1.841) 3.728 15.880 ( 0.336 -10.997 -5.993) 12.529 16.151 ( -0.097 -13.731 6.255) 15.089 18.673 ( 1.206 -14.639 -13.352) 19.851 ======================= Grid point 423 (154/860) ======================= q-point: (-0.05 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 11.670 16.341 15.482) 25.355 1.803 ( -1.987 35.023 11.505) 36.918 3.644 ( -1.185 58.821 6.716) 59.215 4.464 ( -2.542 9.474 -23.143) 25.136 4.986 ( 1.270 21.352 -3.501) 21.675 6.259 ( 3.195 18.978 18.018) 26.363 6.689 ( -0.102 -7.919 2.856) 8.419 8.149 ( 3.042 -12.885 -3.977) 13.824 14.483 ( -1.000 10.207 2.401) 10.533 15.925 ( 0.116 -1.296 -7.798) 7.906 16.562 ( -0.376 -23.471 7.344) 24.596 18.781 ( -3.870 -5.924 -19.409) 20.659 ======================= Grid point 427 (155/860) ======================= q-point: ( 0.16 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 2.757 -0.000 16.825) 17.049 1.414 ( 4.136 -0.000 21.143) 21.544 2.290 ( 12.089 -0.000 27.019) 29.601 3.701 ( 22.296 -0.000 -28.965) 36.553 4.021 ( 2.571 -0.000 -3.621) 4.441 6.789 ( 7.819 -0.000 15.399) 17.271 7.181 ( -6.961 0.000 11.639) 13.562 9.204 ( 13.756 -0.000 -29.786) 32.809 13.968 ( 0.928 -0.000 -2.039) 2.240 15.752 ( -4.527 0.000 -3.251) 5.573 16.123 ( 1.397 -0.000 4.267) 4.490 17.899 ( -10.029 0.000 15.484) 18.448 ======================= Grid point 428 (156/860) ======================= q-point: ( 0.21 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 3.149 -12.170 17.588) 21.618 1.749 ( 2.883 -31.028 14.066) 34.189 2.530 ( 6.561 -6.290 17.742) 19.935 3.826 ( 26.560 -4.976 -19.431) 33.283 4.172 ( 3.719 -15.066 -5.633) 16.509 6.844 ( -3.160 4.229 6.840) 8.640 7.176 ( 5.580 2.673 14.164) 15.456 8.994 ( 12.199 17.363 -19.776) 29.006 14.071 ( 0.047 -10.267 -1.425) 10.366 15.680 ( -3.244 1.380 -5.063) 6.169 16.460 ( -1.963 -28.295 -1.572) 28.406 17.812 ( -9.656 8.144 12.097) 17.490 ======================= Grid point 429 (157/860) ======================= q-point: ( 0.26 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 1.368 -12.739 15.795) 20.338 2.399 ( 5.891 -19.265 10.533) 22.734 2.894 ( -1.004 -34.652 2.463) 34.753 4.123 ( 26.039 -10.896 -8.474) 29.471 4.517 ( 5.544 -21.754 -5.062) 23.014 6.692 ( -5.876 8.567 2.786) 10.755 7.324 ( 9.165 -4.316 11.096) 15.024 8.700 ( 11.164 18.459 -10.237) 23.878 14.274 ( -0.426 -12.695 -0.401) 12.708 15.614 ( -2.096 0.354 -6.491) 6.830 16.848 ( -3.099 -14.270 -0.476) 14.611 17.592 ( -10.535 9.208 2.476) 14.209 ======================= Grid point 430 (158/860) ======================= q-point: ( 0.32 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.578 -18.305 9.898) 20.818 2.635 ( 1.315 -7.811 1.797) 8.122 3.693 ( 2.484 -47.209 0.738) 47.280 4.527 ( 20.592 -15.941 -3.469) 26.271 4.960 ( 6.916 -23.696 -1.055) 24.708 6.521 ( -4.290 6.668 1.159) 8.013 7.553 ( 6.924 -9.229 6.388) 13.188 8.417 ( 10.343 19.944 -5.250) 23.071 14.488 ( 0.023 -11.331 -0.083) 11.331 15.581 ( -0.987 -1.620 -6.628) 6.894 16.789 ( -3.123 20.302 10.051) 22.868 17.450 ( -9.924 -5.370 -11.595) 16.179 ======================= Grid point 431 (159/860) ======================= q-point: ( 0.37 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -0.525 -11.945 0.292) 11.960 2.879 ( -0.802 -22.649 0.050) 22.663 4.469 ( 11.484 -29.471 5.025) 32.026 5.006 ( 9.925 -27.880 -6.408) 30.280 5.446 ( 6.512 -24.556 3.444) 25.637 6.404 ( -3.025 3.531 0.752) 4.710 7.814 ( 4.104 -12.609 2.114) 13.427 8.103 ( 9.737 22.946 -2.680) 25.070 14.659 ( 0.815 -6.982 0.633) 7.058 15.596 ( 0.036 -3.481 -5.270) 6.316 16.322 ( -4.212 29.806 6.601) 30.817 17.405 ( -7.149 -1.311 -10.918) 13.116 ======================= Grid point 432 (160/860) ======================= q-point: ( 0.42 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -2.649 -7.668 -5.756) 9.947 3.398 ( -0.033 -34.115 -0.130) 34.115 4.929 ( 16.987 -7.535 8.098) 20.271 5.561 ( 4.547 -27.123 -7.471) 28.499 5.999 ( 3.399 -32.933 2.938) 33.238 6.366 ( -2.550 -1.914 1.765) 3.645 7.743 ( 9.334 25.407 -0.400) 27.070 8.075 ( 1.484 -13.828 -1.393) 13.977 14.721 ( 0.533 3.833 4.241) 5.742 15.590 ( 0.303 8.447 -0.069) 8.453 15.884 ( -2.792 8.616 -4.165) 9.969 17.256 ( -5.149 7.522 -7.853) 12.032 ======================= Grid point 433 (161/860) ======================= q-point: ( 0.47 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -3.923 -9.477 -6.879) 12.350 4.031 ( 0.674 -36.552 -0.936) 36.570 5.126 ( 14.204 3.295 5.592) 15.617 5.881 ( 4.519 -8.535 -3.725) 10.351 6.450 ( 1.029 -9.956 2.239) 10.256 6.683 ( -1.318 -36.617 0.296) 36.642 7.386 ( 9.073 22.008 2.880) 23.979 8.303 ( -0.419 -12.641 -3.831) 13.215 14.481 ( -2.103 25.871 7.717) 27.079 15.420 ( 1.228 3.098 -2.037) 3.906 15.932 ( 0.046 -10.594 -5.583) 11.976 16.992 ( -3.662 14.274 -5.470) 15.718 ======================= Grid point 434 (162/860) ======================= q-point: ( 0.53 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -4.706 -12.430 -6.193) 14.663 4.663 ( 0.758 -33.885 -0.617) 33.899 5.081 ( 9.493 14.554 0.027) 17.376 5.965 ( 4.031 -0.334 -2.107) 4.560 6.669 ( -0.471 -12.003 2.698) 12.311 6.963 ( 7.700 13.322 9.166) 17.910 7.470 ( 1.408 -28.780 -1.811) 28.871 8.472 ( -1.354 -9.547 -5.188) 10.949 13.956 ( -2.877 31.567 5.209) 32.123 15.467 ( 1.827 -5.456 -0.402) 5.767 16.121 ( 0.845 -11.562 -3.006) 11.976 16.667 ( -2.529 15.758 -4.284) 16.524 ======================= Grid point 435 (163/860) ======================= q-point: (-0.42 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -5.154 -15.383 -4.744) 16.903 4.756 ( 4.371 25.247 -5.492) 26.204 5.216 ( 1.464 -24.940 1.803) 25.048 5.975 ( 3.480 1.190 -1.256) 3.886 6.828 ( -2.675 -0.684 4.313) 5.121 6.878 ( 9.535 3.084 11.170) 15.007 7.961 ( -0.352 -24.128 -2.886) 24.302 8.567 ( -1.222 -5.110 -5.321) 7.478 13.437 ( -2.316 25.549 2.760) 25.802 15.590 ( 0.994 -6.217 0.893) 6.359 16.198 ( -0.167 8.557 0.241) 8.562 16.502 ( -0.024 -7.356 -4.199) 8.470 ======================= Grid point 436 (164/860) ======================= q-point: (-0.37 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( -5.247 -17.600 -3.091) 18.623 4.237 ( 2.377 32.324 -5.250) 32.834 5.547 ( 0.085 -9.186 2.152) 9.435 5.997 ( 3.031 -1.997 -0.488) 3.663 6.828 ( 2.722 2.763 9.968) 10.695 6.959 ( 0.519 -1.405 2.885) 3.251 8.241 ( -0.880 -8.981 -2.693) 9.418 8.579 ( -0.411 0.687 -4.248) 4.323 13.080 ( -1.471 13.394 1.719) 13.584 15.693 ( -0.122 -4.256 0.952) 4.363 15.991 ( -0.571 10.080 -0.412) 10.105 16.737 ( 1.675 -16.118 -1.728) 16.297 ======================= Grid point 437 (165/860) ======================= q-point: (-0.32 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( -5.063 -11.168 -2.717) 12.559 3.664 ( 1.555 26.535 -1.039) 26.601 5.556 ( -0.730 7.709 1.130) 7.826 6.072 ( 2.028 -2.859 -0.153) 3.508 6.833 ( -0.111 3.759 5.587) 6.735 6.979 ( -0.866 -1.331 1.608) 2.260 8.237 ( -0.424 7.584 -1.677) 7.778 8.482 ( 0.040 8.448 -2.738) 8.881 12.979 ( -0.761 -2.339 2.258) 3.339 15.741 ( -1.058 -1.233 -0.418) 1.677 15.875 ( -0.055 2.454 0.512) 2.508 17.043 ( 2.277 -17.446 -2.254) 17.738 ======================= Grid point 438 (166/860) ======================= q-point: (-0.26 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 0.249 31.638 0.714) 31.647 3.784 ( -2.844 -17.119 1.128) 17.390 5.290 ( -1.139 21.665 -0.141) 21.695 6.118 ( 0.789 -1.981 -1.638) 2.689 6.713 ( -1.762 10.701 2.179) 11.062 7.036 ( -2.593 -6.267 -1.386) 6.923 7.945 ( 0.189 24.478 -0.877) 24.495 8.274 ( 0.861 14.154 0.034) 14.180 13.167 ( -0.421 -17.245 3.921) 17.690 15.712 ( -1.454 1.737 -3.674) 4.316 15.900 ( 0.435 -3.046 3.195) 4.436 17.365 ( 2.432 -18.630 -4.846) 19.403 ======================= Grid point 439 (167/860) ======================= q-point: (-0.21 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 1.763 28.625 5.428) 29.188 4.045 ( -1.922 -11.972 2.001) 12.289 4.799 ( -1.027 30.349 -1.722) 30.415 6.153 ( -0.171 -3.144 -4.042) 5.123 6.457 ( -1.934 17.204 1.119) 17.349 7.131 ( -4.671 -9.687 -6.960) 12.810 7.397 ( 0.154 36.146 -0.344) 36.148 8.007 ( 3.077 18.853 4.997) 19.746 13.587 ( -0.479 -26.972 5.600) 27.552 15.638 ( -1.159 2.847 -4.290) 5.277 15.981 ( 0.628 -3.303 2.655) 4.284 17.696 ( 2.101 -20.068 -7.888) 21.665 ======================= Grid point 440 (168/860) ======================= q-point: (-0.16 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 4.732 24.182 10.038) 26.607 3.931 ( -1.797 31.637 1.338) 31.716 4.464 ( 0.219 -1.924 -2.630) 3.266 6.056 ( -3.090 21.709 -0.799) 21.942 6.192 ( 1.528 3.760 -6.942) 8.041 6.732 ( -0.804 35.627 2.872) 35.751 7.199 ( -6.191 -5.394 -11.727) 14.316 7.750 ( 6.450 15.858 10.489) 20.077 14.112 ( -0.765 -28.035 5.982) 28.676 15.575 ( -0.604 0.552 -3.169) 3.273 16.036 ( 0.633 -1.365 0.490) 1.582 18.028 ( 1.187 -20.460 -10.438) 23.000 ======================= Grid point 441 (169/860) ======================= q-point: (-0.11 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 8.889 19.861 13.963) 25.854 3.228 ( -1.212 42.414 2.083) 42.482 4.538 ( 0.014 -4.038 -7.117) 8.183 5.501 ( 0.151 40.704 2.335) 40.772 5.854 ( 0.016 27.167 -9.383) 28.742 6.438 ( -2.120 0.100 3.246) 3.878 7.042 ( -1.205 14.108 -1.692) 14.260 7.738 ( 5.443 -4.062 3.599) 7.686 14.527 ( -0.864 -14.383 3.713) 14.880 15.635 ( -0.233 -10.153 -0.971) 10.202 16.058 ( 0.260 -1.742 -0.252) 1.779 18.322 ( -0.604 -18.125 -13.037) 22.335 ======================= Grid point 442 (170/860) ======================= q-point: (-0.05 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 13.058 16.583 16.215) 26.616 2.502 ( -0.695 39.914 6.361) 40.424 4.462 ( -2.996 8.911 -14.938) 17.651 4.684 ( 3.417 49.464 1.592) 49.607 5.376 ( 0.325 23.392 -4.417) 23.807 6.481 ( -2.513 -3.125 2.653) 4.808 6.787 ( 4.925 15.578 9.374) 18.836 7.935 ( 5.084 -11.860 -3.086) 13.268 14.616 ( -0.667 3.253 1.664) 3.714 15.826 ( 0.090 -7.479 -6.227) 9.732 16.206 ( -0.873 -17.224 7.028) 18.623 18.507 ( -4.025 -11.764 -16.630) 20.764 ======================= Grid point 447 (171/860) ======================= q-point: ( 0.21 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 3.062 -0.000 13.692) 14.030 1.648 ( 1.333 -0.000 19.669) 19.714 2.614 ( 3.793 -0.000 12.673) 13.229 3.965 ( 34.949 -0.000 -14.283) 37.755 4.031 ( 2.780 -0.000 -3.576) 4.530 6.876 ( -5.974 0.000 4.490) 7.473 7.304 ( 5.574 -0.000 10.565) 11.945 9.150 ( 9.960 -0.000 -21.258) 23.475 13.967 ( 1.120 -0.000 -1.674) 2.014 15.651 ( -4.286 0.000 -2.968) 5.213 16.185 ( 1.556 -0.000 3.737) 4.048 17.883 ( -8.370 0.000 12.977) 15.442 ======================= Grid point 448 (172/860) ======================= q-point: ( 0.26 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 2.596 -13.340 15.402) 20.540 1.901 ( 0.762 -28.363 12.351) 30.945 2.677 ( 0.260 -1.426 3.475) 3.765 4.117 ( 9.028 -8.195 -3.657) 12.729 4.305 ( 30.227 -10.038 -5.401) 32.305 6.781 ( -7.507 5.711 2.108) 9.665 7.388 ( 6.109 -0.566 5.516) 8.251 9.022 ( 10.264 12.450 -11.905) 20.052 14.063 ( 0.451 -9.623 -1.221) 9.711 15.585 ( -3.093 1.417 -4.082) 5.314 16.433 ( -1.032 -21.580 0.568) 21.612 17.775 ( -8.037 10.923 10.288) 17.022 ======================= Grid point 449 (173/860) ======================= q-point: ( 0.32 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.379 -10.088 14.466) 17.640 2.522 ( 1.540 -13.984 3.322) 14.455 2.876 ( -1.100 -37.114 -0.840) 37.139 4.390 ( 7.941 -15.772 -3.176) 17.942 4.745 ( 28.044 -13.139 1.161) 30.991 6.608 ( -5.906 7.174 0.031) 9.292 7.489 ( 3.916 -4.694 0.847) 6.171 8.815 ( 10.779 16.557 -3.227) 20.018 14.266 ( -0.032 -12.876 -0.511) 12.886 15.527 ( -1.805 0.114 -5.173) 5.480 16.792 ( -3.194 -17.904 -0.208) 18.188 17.477 ( -8.025 18.107 4.352) 20.278 ======================= Grid point 450 (174/860) ======================= q-point: ( 0.37 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -0.178 -14.435 8.124) 16.565 2.611 ( -1.845 -6.470 -3.789) 7.721 3.749 ( 2.177 -51.505 2.243) 51.600 4.747 ( 8.672 -17.951 -2.957) 20.155 5.211 ( 21.252 -14.346 5.635) 26.253 6.455 ( -3.496 5.086 -1.350) 6.317 7.625 ( 0.607 -9.067 -3.209) 9.638 8.578 ( 10.852 19.933 1.623) 22.754 14.490 ( 0.334 -12.010 -0.134) 12.015 15.511 ( -0.716 -2.353 -5.164) 5.720 16.825 ( -3.691 20.806 9.687) 23.246 17.210 ( -7.448 -4.049 -9.419) 12.672 ======================= Grid point 451 (175/860) ======================= q-point: ( 0.42 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -1.369 -6.475 -3.272) 7.383 2.860 ( -1.634 -25.125 1.096) 25.202 4.659 ( 5.874 -44.230 4.324) 44.827 5.122 ( 9.355 -17.959 -3.626) 20.572 5.638 ( 10.843 -15.886 6.508) 20.305 6.365 ( -0.824 2.161 -1.476) 2.743 7.779 ( -2.233 -11.184 -7.106) 13.437 8.306 ( 10.700 21.939 4.844) 24.885 14.680 ( 1.018 -8.246 0.546) 8.326 15.554 ( 0.193 -5.071 -4.064) 6.501 16.302 ( -4.529 32.625 4.414) 33.232 17.222 ( -5.127 -2.820 -6.735) 8.921 ======================= Grid point 452 (176/860) ======================= q-point: ( 0.47 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -2.378 -5.866 -5.945) 8.684 3.398 ( -0.570 -34.324 1.273) 34.352 5.273 ( 14.676 -8.019 8.484) 18.752 5.577 ( 5.030 -28.884 -5.854) 29.897 6.047 ( -1.046 -26.845 2.235) 26.958 6.363 ( 1.508 -2.112 0.519) 2.646 7.819 ( 3.154 9.157 -4.007) 10.482 8.125 ( 3.787 1.796 2.041) 4.662 14.764 ( 0.569 2.822 2.880) 4.072 15.600 ( 0.450 7.687 0.918) 7.754 15.797 ( -2.686 9.409 -4.512) 10.775 17.128 ( -3.684 6.442 -3.992) 8.427 ======================= Grid point 453 (177/860) ======================= q-point: ( 0.53 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -2.728 -8.347 -5.057) 10.133 4.036 ( 0.061 -36.724 0.935) 36.736 5.387 ( 11.471 8.666 4.003) 14.924 5.927 ( 5.304 -9.049 -3.407) 11.028 6.465 ( -1.384 -8.273 1.614) 8.542 6.662 ( -1.473 -39.701 0.380) 39.730 7.569 ( 8.784 20.167 4.839) 22.523 8.243 ( -1.918 -11.197 -4.778) 12.324 14.502 ( -2.102 27.394 3.920) 27.753 15.427 ( 1.200 1.767 -0.721) 2.255 15.890 ( 0.332 -12.039 -3.630) 12.579 16.907 ( -2.504 13.707 -2.018) 14.079 ======================= Grid point 454 (178/860) ======================= q-point: ( 0.58 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -2.772 -11.368 -3.295) 12.156 4.670 ( 0.035 -32.858 1.038) 32.875 5.221 ( 7.143 18.538 -0.096) 19.867 6.025 ( 5.701 0.429 -2.061) 6.077 6.621 ( -5.440 -11.304 0.717) 12.566 7.212 ( 8.603 -0.325 11.138) 14.078 7.464 ( 0.348 -18.079 -2.678) 18.280 8.397 ( -1.420 -9.945 -4.964) 11.205 13.944 ( -2.511 31.852 1.821) 32.003 15.494 ( 1.493 -5.702 0.110) 5.895 16.113 ( 0.823 -13.008 -1.406) 13.110 16.611 ( -1.518 15.902 -0.745) 15.992 ======================= Grid point 455 (179/860) ======================= q-point: (-0.37 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( -2.463 -14.317 -1.272) 14.582 4.779 ( 3.459 25.981 -2.957) 26.376 5.261 ( 0.858 -22.417 3.067) 22.642 6.024 ( 3.821 2.086 -1.226) 4.522 6.763 ( -4.567 -8.519 1.084) 9.727 7.132 ( 5.715 11.377 7.816) 14.939 7.926 ( -0.523 -24.405 -1.717) 24.471 8.514 ( 0.183 -5.746 -3.315) 6.636 13.418 ( -1.941 25.065 0.772) 25.152 15.608 ( 0.598 -5.607 0.117) 5.640 16.196 ( -0.312 9.971 0.246) 9.979 16.487 ( 0.725 -9.632 -0.164) 9.661 ======================= Grid point 456 (180/860) ======================= q-point: (-0.32 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( -1.587 -16.507 0.881) 16.607 4.254 ( 3.017 33.363 -0.765) 33.508 5.562 ( -0.574 -7.986 1.906) 8.231 6.036 ( 2.191 -1.706 -0.805) 2.891 6.846 ( -2.862 -3.126 1.465) 4.484 7.020 ( -0.238 5.931 1.086) 6.035 8.221 ( 0.487 -8.820 0.113) 8.834 8.560 ( 1.313 0.558 -1.399) 1.998 13.071 ( -1.278 12.414 1.256) 12.543 15.690 ( -0.354 -3.456 -0.602) 3.526 15.988 ( -0.130 9.934 0.833) 9.970 16.751 ( 1.390 -16.185 -0.649) 16.257 ======================= Grid point 457 (181/860) ======================= q-point: (-0.26 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( 0.898 -12.666 4.200) 13.374 3.692 ( 1.902 29.449 1.454) 29.546 5.550 ( -0.875 8.420 0.311) 8.471 6.083 ( 0.414 -1.903 -1.817) 2.664 6.810 ( -5.012 3.258 -3.478) 6.916 6.959 ( -1.165 0.239 -0.334) 1.235 8.239 ( 1.119 8.065 0.741) 8.176 8.492 ( 2.098 8.264 1.123) 8.600 12.992 ( -0.834 -3.502 3.236) 4.840 15.705 ( -1.022 0.494 -2.902) 3.116 15.898 ( 0.548 1.153 2.850) 3.122 17.045 ( 1.302 -16.775 -3.522) 17.191 ======================= Grid point 458 (182/860) ======================= q-point: (-0.21 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 4.827 32.421 8.149) 33.776 3.780 ( 0.500 -16.973 2.861) 17.220 5.266 ( -0.879 22.322 -1.425) 22.384 6.092 ( -0.755 -1.289 -3.649) 3.943 6.645 ( -5.820 7.434 -6.361) 11.385 6.961 ( -1.634 -2.376 -2.966) 4.137 7.949 ( 0.784 25.198 -0.555) 25.216 8.340 ( 3.648 12.941 5.164) 14.403 13.203 ( -0.758 -18.069 5.917) 19.029 15.649 ( -0.979 2.168 -4.967) 5.507 15.948 ( 0.912 -2.982 4.190) 5.223 17.333 ( 0.801 -17.848 -7.605) 19.417 ======================= Grid point 459 (183/860) ======================= q-point: (-0.16 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 6.618 28.072 11.451) 31.032 4.064 ( 1.373 -10.245 3.317) 10.856 4.769 ( 0.130 29.989 -2.970) 30.136 6.090 ( -1.622 -1.545 -5.692) 6.116 6.398 ( -3.662 12.624 -5.100) 14.099 6.988 ( -2.660 -5.308 -7.778) 9.785 7.399 ( 0.430 35.896 -0.361) 35.900 8.145 ( 5.286 16.359 8.058) 18.986 13.638 ( -0.983 -27.013 7.956) 28.177 15.578 ( -0.524 2.138 -5.488) 5.913 16.022 ( 0.989 -1.958 2.991) 3.709 17.623 ( -0.121 -19.621 -11.026) 22.508 ======================= Grid point 460 (184/860) ======================= q-point: (-0.11 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 9.280 22.497 14.137) 28.144 3.917 ( -0.980 32.434 0.733) 32.457 4.465 ( 3.145 -0.085 -3.440) 4.662 5.976 ( -2.984 13.396 -4.614) 14.479 6.155 ( 1.740 10.224 -6.659) 12.325 6.731 ( -1.783 33.337 1.381) 33.413 7.043 ( -1.243 -4.249 -7.732) 8.910 7.951 ( 6.789 14.454 8.519) 18.099 14.161 ( -1.165 -26.921 7.922) 28.087 15.535 ( -0.064 -1.063 -4.086) 4.222 16.051 ( 0.683 0.185 0.217) 0.740 17.913 ( -1.568 -19.868 -13.208) 23.909 ======================= Grid point 461 (185/860) ======================= q-point: (-0.05 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 11.806 17.585 15.435) 26.208 3.237 ( -0.115 40.615 2.415) 40.687 4.469 ( 1.329 1.925 -10.229) 10.493 5.547 ( 2.684 37.541 2.937) 37.751 5.763 ( 0.484 25.363 -10.731) 27.544 6.426 ( -2.961 1.524 3.681) 4.964 7.047 ( 3.181 3.349 -0.333) 4.631 7.874 ( 6.830 2.422 2.639) 7.712 14.552 ( -0.744 -12.472 4.299) 13.213 15.622 ( -0.099 -10.552 -1.254) 10.627 16.056 ( -0.216 -2.443 -0.279) 2.468 18.151 ( -3.874 -16.267 -15.242) 22.626 ======================= Grid point 467 (186/860) ======================= q-point: ( 0.26 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 2.695 -0.000 10.856) 11.185 1.829 ( -0.194 0.000 17.137) 17.138 2.682 ( -1.072 0.000 0.170) 1.085 4.045 ( 2.856 -0.000 -3.437) 4.469 4.519 ( 38.761 -0.000 -0.256) 38.762 6.775 ( -8.247 0.000 0.505) 8.262 7.435 ( 3.459 -0.000 -0.328) 3.475 9.162 ( 9.163 -0.000 -9.148) 12.948 13.973 ( 1.164 -0.000 -1.131) 1.623 15.560 ( -3.651 0.000 -2.311) 4.321 16.242 ( 1.557 -0.000 2.821) 3.222 17.862 ( -7.576 0.000 10.101) 12.626 ======================= Grid point 468 (187/860) ======================= q-point: ( 0.32 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 1.813 -14.899 13.057) 19.893 2.009 ( -0.336 -25.009 10.217) 27.017 2.649 ( -2.196 0.637 -3.948) 4.562 4.154 ( 2.920 -11.138 -3.356) 11.994 4.885 ( 36.397 -4.865 4.088) 36.947 6.660 ( -7.370 4.739 -1.721) 8.930 7.453 ( 1.520 -1.390 -3.992) 4.492 9.119 ( 9.319 9.379 -2.395) 13.437 14.063 ( 0.659 -8.997 -0.724) 9.050 15.506 ( -2.539 1.353 -2.869) 4.063 16.430 ( -0.391 -16.761 0.940) 16.792 17.736 ( -7.168 12.130 7.779) 16.095 ======================= Grid point 469 (188/860) ======================= q-point: ( 0.37 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -0.689 -7.993 12.517) 14.867 2.521 ( -1.261 -3.364 -3.051) 4.713 2.867 ( -0.067 -46.473 1.150) 46.488 4.433 ( 3.058 -18.720 -3.088) 19.218 5.295 ( 30.935 -6.493 7.597) 32.509 6.504 ( -4.558 5.115 -3.748) 7.810 7.484 ( -0.919 -4.473 -5.616) 7.238 8.979 ( 9.162 14.758 2.281) 17.520 14.264 ( 0.240 -12.881 -0.220) 12.885 15.461 ( -1.286 -0.069 -3.508) 3.737 16.742 ( -2.596 -17.838 -0.260) 18.028 17.399 ( -6.527 22.203 4.053) 23.495 ======================= Grid point 470 (189/860) ======================= q-point: ( 0.42 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -0.757 -9.444 4.635) 10.547 2.538 ( -2.641 -8.397 -2.398) 9.124 3.800 ( 1.537 -53.407 2.000) 53.466 4.813 ( 3.791 -21.869 -2.393) 22.324 5.657 ( 21.440 -4.506 9.804) 24.002 6.394 ( 0.276 2.567 -4.742) 5.399 7.548 ( -3.320 -8.162 -6.676) 11.054 8.769 ( 8.373 18.784 4.058) 20.962 14.497 ( 0.501 -12.579 0.062) 12.590 15.463 ( -0.310 -2.822 -3.309) 4.360 16.845 ( -4.192 25.059 7.999) 26.637 17.032 ( -4.705 -6.668 -7.311) 10.957 ======================= Grid point 471 (190/860) ======================= q-point: ( 0.47 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -1.115 -3.431 -3.870) 5.291 2.853 ( -1.856 -26.560 3.487) 26.852 4.754 ( 2.966 -50.785 1.581) 50.896 5.224 ( 5.691 -20.593 -1.173) 21.397 5.863 ( 6.404 -1.776 6.745) 9.469 6.384 ( 6.801 0.331 -2.204) 7.157 7.661 ( -3.558 -11.413 -6.804) 13.755 8.495 ( 6.864 21.106 4.250) 22.597 14.701 ( 0.979 -9.132 0.365) 9.191 15.529 ( 0.436 -6.067 -2.346) 6.519 16.259 ( -4.096 34.051 1.780) 34.343 17.111 ( -3.261 -3.522 -2.624) 5.470 ======================= Grid point 472 (191/860) ======================= q-point: ( 0.53 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -1.067 -4.917 -3.125) 5.922 3.406 ( -0.946 -34.470 3.090) 34.621 5.545 ( 9.945 -12.033 6.068) 16.749 5.613 ( 5.150 -29.303 -4.333) 30.066 6.002 ( -5.373 -21.114 0.099) 21.787 6.427 ( 4.899 1.050 1.038) 5.117 7.815 ( 1.367 -7.885 -3.022) 8.554 8.201 ( 2.538 16.333 1.950) 16.644 14.789 ( 0.313 3.162 0.741) 3.262 15.623 ( 0.624 8.835 2.064) 9.095 15.720 ( -1.932 6.995 -3.555) 8.081 17.059 ( -2.283 5.858 -0.672) 6.323 ======================= Grid point 473 (192/860) ======================= q-point: ( 0.58 0.26 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -0.731 -7.517 -0.983) 7.616 4.052 ( -0.352 -36.797 3.152) 36.933 5.554 ( 5.721 12.160 0.956) 13.473 5.998 ( 7.146 -11.491 -2.768) 13.812 6.431 ( -3.680 -3.209 0.065) 4.883 6.651 ( -0.960 -42.806 1.850) 42.857 7.750 ( 6.810 19.397 5.149) 21.193 8.159 ( -2.506 -11.760 -4.443) 12.818 14.485 ( -1.882 28.522 -0.404) 28.586 15.445 ( 0.951 0.657 0.673) 1.337 15.879 ( 0.784 -12.724 -0.535) 12.759 16.870 ( -1.363 13.330 0.859) 13.427 ======================= Grid point 474 (193/860) ======================= q-point: ( 0.63 0.26 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -0.136 -10.489 1.229) 10.561 4.689 ( -0.070 -31.886 3.298) 32.056 5.304 ( 3.346 19.019 -0.683) 19.323 6.110 ( 6.585 3.100 -1.780) 7.492 6.533 ( -5.792 -12.440 1.088) 13.766 7.373 ( -0.304 -36.640 -0.063) 36.641 7.456 ( 2.368 18.164 3.408) 18.632 8.355 ( 0.837 -11.106 -1.790) 11.280 13.909 ( -1.946 31.467 -1.383) 31.557 15.516 ( 0.844 -5.258 0.500) 5.349 16.123 ( 0.883 -12.979 0.617) 13.023 16.602 ( -0.446 15.490 2.288) 15.664 ======================= Grid point 475 (194/860) ======================= q-point: (-0.32 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 0.840 -13.542 3.248) 13.951 4.820 ( 3.203 25.083 0.219) 25.288 5.293 ( -0.740 -20.672 3.464) 20.973 6.068 ( 2.451 3.479 -1.008) 4.374 6.714 ( -2.565 -9.669 1.138) 10.068 7.164 ( -4.150 12.525 -3.827) 13.739 7.939 ( 1.637 -24.206 2.441) 24.383 8.520 ( 2.315 -6.017 0.259) 6.452 13.389 ( -1.462 24.048 -1.081) 24.117 15.612 ( 0.036 -4.772 -0.206) 4.777 16.194 ( -0.228 9.829 0.237) 9.835 16.519 ( 1.294 -9.090 3.197) 9.723 ======================= Grid point 476 (195/860) ======================= q-point: (-0.26 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 2.206 -16.156 4.904) 17.028 4.323 ( 3.721 33.021 3.819) 33.449 5.565 ( -1.172 -7.000 1.692) 7.296 6.048 ( 0.304 -0.636 -1.158) 1.355 6.772 ( -5.909 1.407 -6.144) 8.639 6.965 ( -2.839 1.639 -1.685) 3.686 8.256 ( 1.758 -8.391 2.377) 8.897 8.596 ( 2.805 0.576 1.869) 3.419 13.062 ( -1.046 10.929 0.744) 11.004 15.674 ( -0.590 -2.412 -1.130) 2.728 16.001 ( 0.271 9.093 1.505) 9.221 16.769 ( 1.081 -14.429 -0.019) 14.469 ======================= Grid point 477 (196/860) ======================= q-point: (-0.21 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( 2.820 -17.294 4.677) 18.136 3.789 ( 5.655 33.812 9.357) 35.536 5.534 ( -1.037 9.119 -0.322) 9.183 6.054 ( -1.194 -0.679 -2.746) 3.071 6.589 ( -9.906 2.610 -15.334) 18.441 6.971 ( 0.572 0.624 2.966) 3.085 8.269 ( 1.307 9.550 0.539) 9.654 8.567 ( 3.527 6.789 4.498) 8.875 13.012 ( -0.919 -5.088 3.970) 6.519 15.662 ( -0.811 1.924 -2.843) 3.527 15.938 ( 0.922 -0.139 3.009) 3.150 17.020 ( 0.356 -14.558 -4.809) 15.336 ======================= Grid point 478 (197/860) ======================= q-point: (-0.16 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 4.648 29.819 9.203) 31.551 3.880 ( 6.362 -14.347 8.477) 17.837 5.236 ( -0.557 22.617 -2.489) 22.760 6.032 ( -1.782 -0.571 -4.289) 4.679 6.406 ( -8.259 1.158 -17.082) 19.009 6.953 ( 0.548 2.723 1.632) 3.221 7.956 ( 0.973 25.837 -0.965) 25.874 8.465 ( 4.339 11.307 6.458) 13.725 13.251 ( -1.142 -19.143 7.513) 20.597 15.592 ( -0.494 2.854 -4.636) 5.467 16.004 ( 1.306 -3.079 3.828) 5.083 17.251 ( -0.726 -15.988 -9.948) 18.844 ======================= Grid point 479 (198/860) ======================= q-point: (-0.11 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 6.775 25.084 11.862) 28.563 4.154 ( 4.383 -4.573 5.697) 8.519 4.752 ( 1.726 27.889 -3.643) 28.179 6.001 ( -2.097 0.212 -6.556) 6.887 6.254 ( -3.009 3.003 -11.534) 12.292 6.921 ( 0.130 0.329 -2.935) 2.957 7.404 ( 0.681 35.541 -0.465) 35.551 8.304 ( 5.173 14.452 6.901) 16.830 13.701 ( -1.509 -27.159 9.887) 28.942 15.522 ( 0.086 1.820 -5.629) 5.917 16.066 ( 1.261 -0.470 2.333) 2.694 17.490 ( -2.082 -18.590 -13.278) 22.940 ======================= Grid point 480 (199/860) ======================= q-point: (-0.05 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 8.394 19.351 12.599) 24.570 3.917 ( 0.351 33.272 0.686) 33.281 4.493 ( 4.455 3.883 -4.233) 7.269 5.892 ( -0.508 8.001 -6.338) 10.220 6.134 ( 3.167 9.502 -5.444) 11.400 6.710 ( -1.459 31.064 0.546) 31.103 7.004 ( 2.222 -3.064 -3.556) 5.193 8.122 ( 5.890 13.966 5.599) 16.158 14.221 ( -1.484 -25.760 9.553) 27.514 15.498 ( 0.383 -2.485 -4.441) 5.103 16.059 ( 0.631 2.013 -0.763) 2.243 17.737 ( -3.750 -18.735 -14.654) 24.079 ======================= Grid point 487 (200/860) ======================= q-point: ( 0.32 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 1.889 -0.000 8.273) 8.486 1.963 ( -1.286 0.000 14.395) 14.452 2.625 ( -2.636 0.000 -4.387) 5.118 4.060 ( 2.785 -0.000 -3.228) 4.263 5.166 ( 35.671 -0.000 6.580) 36.273 6.627 ( -7.565 0.000 -4.217) 8.661 7.421 ( -0.223 0.000 -6.557) 6.561 9.265 ( 7.879 -0.000 -0.159) 7.880 13.984 ( 1.050 -0.000 -0.478) 1.154 15.490 ( -2.761 0.000 -1.442) 3.115 16.287 ( 1.407 -0.000 1.623) 2.148 17.823 ( -6.938 0.000 6.934) 9.809 ======================= Grid point 488 (201/860) ======================= q-point: ( 0.37 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.802 -17.055 10.533) 20.061 2.082 ( -1.189 -21.633 8.318) 23.208 2.558 ( -2.902 1.806 -5.540) 6.510 4.169 ( 2.614 -11.181 -3.046) 11.879 5.510 ( 31.668 -3.019 8.930) 33.041 6.513 ( -5.405 3.071 -6.783) 9.201 7.394 ( -1.863 -1.419 -6.469) 6.879 9.258 ( 6.919 7.831 2.427) 10.728 14.070 ( 0.651 -8.529 -0.088) 8.554 15.450 ( -1.773 1.195 -1.571) 2.653 16.434 ( -0.018 -13.517 0.362) 13.521 17.684 ( -6.339 12.502 4.908) 14.851 ======================= Grid point 489 (202/860) ======================= q-point: ( 0.42 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -1.730 -6.396 10.252) 12.207 2.453 ( -2.060 0.702 -4.050) 4.597 2.887 ( 0.255 -50.238 2.200) 50.287 4.451 ( 2.435 -19.278 -2.541) 19.596 5.838 ( 22.846 -1.970 11.214) 25.526 6.406 ( 1.149 1.544 -8.599) 8.812 7.384 ( -4.154 -3.641 -5.691) 7.931 9.133 ( 5.877 13.604 3.445) 15.214 14.269 ( 0.313 -12.818 0.270) 12.825 15.421 ( -0.672 -0.254 -1.716) 1.861 16.702 ( -1.725 -16.348 -0.809) 16.459 17.334 ( -5.340 23.307 2.707) 24.064 ======================= Grid point 490 (203/860) ======================= q-point: ( 0.47 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -0.635 -4.211 1.346) 4.466 2.496 ( -2.695 -12.344 2.561) 12.892 3.836 ( 0.864 -54.144 1.497) 54.172 4.844 ( 2.528 -23.450 -1.657) 23.644 5.984 ( 5.421 3.675 6.850) 9.478 6.447 ( 14.184 -1.579 -3.701) 14.744 7.416 ( -5.623 -8.057 -5.125) 11.082 8.910 ( 4.558 18.048 3.106) 18.872 14.507 ( 0.467 -12.945 0.364) 12.958 15.440 ( 0.156 -3.124 -1.256) 3.371 16.817 ( -4.180 30.600 -0.207) 30.885 16.939 ( -2.189 -11.439 0.316) 11.651 ======================= Grid point 491 (204/860) ======================= q-point: ( 0.53 0.32 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.168 -2.467 -0.769) 2.590 2.861 ( -2.144 -27.109 4.991) 27.648 4.800 ( 1.677 -52.636 0.454) 52.664 5.288 ( 3.065 -24.325 -0.353) 24.520 5.928 ( -1.484 4.763 0.562) 5.021 6.550 ( 11.812 3.567 1.186) 12.396 7.556 ( -2.827 -14.266 -3.372) 14.929 8.605 ( 2.843 21.171 2.175) 21.472 14.717 ( 0.691 -9.375 0.072) 9.401 15.526 ( 0.744 -6.607 -0.296) 6.655 16.206 ( -2.934 33.811 -0.523) 33.942 17.062 ( -1.719 -3.586 0.657) 4.030 ======================= Grid point 492 (205/860) ======================= q-point: ( 0.58 0.32 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 0.731 -4.466 1.567) 4.789 3.424 ( -1.262 -34.838 4.821) 35.193 5.655 ( 4.121 -34.513 -2.237) 34.830 5.717 ( 6.258 -7.637 1.620) 10.006 5.889 ( -6.914 -23.008 -1.926) 24.101 6.515 ( 3.372 7.297 1.839) 8.246 7.823 ( 1.664 -16.452 -0.330) 16.539 8.236 ( 0.346 22.500 0.763) 22.516 14.786 ( -0.128 5.014 -1.709) 5.298 15.648 ( -0.681 22.848 1.102) 22.884 15.684 ( 0.663 -9.612 0.324) 9.641 17.039 ( -0.926 5.585 1.994) 6.002 ======================= Grid point 493 (206/860) ======================= q-point: ( 0.63 0.32 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 1.381 -7.027 3.848) 8.130 4.084 ( -0.654 -37.016 5.344) 37.406 5.593 ( 0.375 12.159 -2.639) 12.448 6.099 ( 6.742 -16.719 -1.209) 18.068 6.355 ( -4.307 0.914 -1.536) 4.664 6.664 ( -0.528 -40.523 3.267) 40.658 7.830 ( -1.629 22.305 -0.315) 22.366 8.131 ( 2.773 -15.122 1.095) 15.413 14.436 ( -1.474 28.926 -4.065) 29.248 15.469 ( 0.492 0.263 2.062) 2.136 15.904 ( 1.220 -12.738 2.126) 12.972 16.877 ( -0.155 13.086 3.304) 13.497 ======================= Grid point 494 (207/860) ======================= q-point: (-0.32 -0.68 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 2.270 -10.069 5.587) 11.737 4.730 ( -0.095 -31.847 5.653) 32.345 5.318 ( -0.211 17.266 -1.692) 17.350 6.179 ( 2.321 7.075 -1.075) 7.523 6.479 ( -1.208 -15.693 1.362) 15.799 7.261 ( -6.683 -8.490 -6.757) 12.743 7.534 ( 0.755 -8.645 3.684) 9.428 8.399 ( 3.593 -10.868 2.479) 11.712 13.857 ( -1.321 30.604 -4.028) 30.897 15.532 ( 0.079 -4.300 1.434) 4.534 16.148 ( 0.798 -11.401 1.494) 11.526 16.639 ( 0.810 14.420 5.090) 15.314 ======================= Grid point 495 (208/860) ======================= q-point: (-0.26 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 3.366 -13.284 6.594) 15.208 4.885 ( 2.712 23.666 3.041) 24.014 5.302 ( -2.114 -21.021 3.892) 21.482 6.078 ( -0.406 4.194 -0.492) 4.242 6.697 ( -0.347 -6.086 -0.986) 6.175 6.972 ( -9.604 9.234 -8.785) 15.959 7.997 ( 1.611 -23.289 2.908) 23.525 8.587 ( 3.429 -5.529 3.174) 7.239 13.351 ( -0.974 22.655 -2.701) 22.837 15.609 ( -0.545 -3.820 0.468) 3.887 16.192 ( -0.157 8.598 -0.108) 8.600 16.586 ( 1.880 -6.310 5.441) 8.541 ======================= Grid point 496 (209/860) ======================= q-point: (-0.21 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 4.020 -15.569 6.121) 17.205 4.450 ( 4.579 29.955 8.885) 31.579 5.559 ( -1.492 -6.119 1.917) 6.583 6.027 ( -1.360 0.510 -1.074) 1.807 6.511 ( -11.430 8.085 -16.377) 21.546 6.955 ( 0.241 -4.749 2.454) 5.351 8.301 ( 1.222 -7.761 1.405) 7.981 8.677 ( 3.211 0.300 3.994) 5.134 13.051 ( -0.823 9.075 0.173) 9.114 15.654 ( -0.790 -1.515 -0.488) 1.777 16.021 ( 0.488 7.954 1.410) 8.092 16.786 ( 0.954 -11.065 0.214) 11.108 ======================= Grid point 497 (210/860) ======================= q-point: (-0.16 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( 0.661 -7.682 0.734) 7.745 4.065 ( 10.722 22.500 18.657) 31.134 5.511 ( -1.153 9.978 -0.638) 10.065 6.000 ( -2.152 0.502 -2.724) 3.508 6.244 ( -10.476 1.150 -20.717) 23.244 7.015 ( 0.815 0.577 3.522) 3.661 8.288 ( 1.048 10.466 -0.451) 10.528 8.672 ( 3.291 5.486 4.955) 8.092 13.035 ( -1.033 -6.977 4.344) 8.284 15.628 ( -0.603 2.981 -1.782) 3.525 15.981 ( 1.107 -1.354 2.497) 3.048 16.969 ( -0.312 -10.962 -5.919) 12.462 ======================= Grid point 498 (211/860) ======================= q-point: (-0.11 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( 0.709 20.165 4.254) 20.621 4.150 ( 11.369 -4.147 15.788) 19.893 5.207 ( 0.325 22.218 -2.848) 22.402 5.953 ( -2.745 -0.022 -6.211) 6.791 6.117 ( -4.946 -4.195 -18.120) 19.245 6.984 ( 0.366 4.567 2.569) 5.253 7.963 ( 1.169 26.042 -1.299) 26.101 8.586 ( 3.575 9.919 5.003) 11.671 13.304 ( -1.550 -20.444 8.486) 22.190 15.549 ( -0.039 3.702 -3.617) 5.176 16.060 ( 1.539 -3.227 3.078) 4.717 17.128 ( -1.880 -13.210 -11.619) 17.693 ======================= Grid point 499 (212/860) ======================= q-point: (-0.05 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 3.108 19.940 7.150) 21.410 4.299 ( 5.265 6.124 7.045) 10.717 4.764 ( 3.698 24.364 -3.055) 24.832 5.910 ( -0.221 -0.109 -7.672) 7.676 6.133 ( 1.293 -5.866 -9.811) 11.504 6.914 ( 0.493 3.138 -0.655) 3.243 7.413 ( 0.953 35.265 -0.610) 35.283 8.434 ( 4.071 13.033 4.315) 14.320 13.771 ( -2.012 -27.557 11.124) 29.785 15.477 ( 0.644 1.952 -5.130) 5.527 16.104 ( 1.394 1.269 1.127) 2.196 17.314 ( -3.481 -17.256 -14.294) 22.677 ======================= Grid point 507 (213/860) ======================= q-point: ( 0.37 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.776 -0.000 5.940) 5.990 2.056 ( -2.315 0.000 11.969) 12.191 2.536 ( -2.786 0.000 -4.305) 5.128 4.075 ( 2.572 -0.000 -2.981) 3.937 5.777 ( 28.543 -0.000 10.534) 30.424 6.459 ( -4.301 0.000 -9.988) 10.874 7.337 ( -2.703 0.000 -5.368) 6.010 9.387 ( 4.969 -0.000 2.743) 5.675 13.998 ( 0.791 -0.000 0.225) 0.822 15.444 ( -1.799 0.000 -0.497) 1.867 16.317 ( 1.130 -0.000 0.260) 1.160 17.766 ( -5.987 0.000 3.607) 6.989 ======================= Grid point 508 (214/860) ======================= q-point: ( 0.42 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -0.246 -21.120 7.602) 22.448 2.127 ( -2.283 -17.125 7.535) 18.848 2.469 ( -2.219 2.588 -3.795) 5.101 4.183 ( 2.335 -11.175 -2.685) 11.728 6.045 ( 18.444 -0.389 12.163) 22.097 6.387 ( 3.985 -0.264 -12.155) 12.794 7.293 ( -4.423 -0.583 -3.548) 5.700 9.370 ( 3.509 7.108 2.725) 8.382 14.081 ( 0.454 -8.222 0.586) 8.256 15.419 ( -0.982 0.945 -0.297) 1.395 16.434 ( 0.161 -11.504 -0.653) 11.523 17.622 ( -5.139 12.398 1.889) 13.553 ======================= Grid point 509 (215/860) ======================= q-point: ( 0.47 0.37 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -2.679 -5.335 8.962) 10.768 2.398 ( -1.178 0.844 -1.632) 2.182 2.908 ( -0.177 -50.861 2.036) 50.902 4.466 ( 2.020 -19.556 -2.003) 19.762 6.100 ( -0.553 4.297 1.767) 4.679 6.523 ( 21.180 -4.716 -1.480) 21.749 7.254 ( -7.181 -2.305 -2.256) 7.872 9.226 ( 2.250 12.972 1.994) 13.316 14.279 ( 0.192 -12.737 0.808) 12.764 15.407 ( -0.075 -0.521 0.039) 0.528 16.670 ( -0.806 -14.801 -1.600) 14.909 17.275 ( -3.973 22.811 0.873) 23.171 ======================= Grid point 510 (216/860) ======================= q-point: ( 0.53 0.37 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 0.308 -2.236 3.052) 3.796 2.488 ( -2.764 -14.375 4.814) 15.410 3.855 ( 0.042 -54.513 1.097) 54.524 4.866 ( 1.726 -24.173 -1.091) 24.259 5.998 ( -2.288 4.788 -2.988) 6.090 6.731 ( 16.490 2.235 2.676) 16.855 7.286 ( -6.028 -10.467 -0.825) 12.107 8.973 ( 0.936 17.659 0.905) 17.707 14.518 ( 0.251 -13.051 0.674) 13.071 15.444 ( 0.613 -3.392 0.794) 3.537 16.732 ( -2.240 24.532 -5.294) 25.196 16.939 ( -1.281 -5.665 4.318) 7.238 ======================= Grid point 511 (217/860) ======================= q-point: ( 0.58 0.37 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 1.581 -2.323 3.986) 4.876 2.874 ( -2.400 -27.783 5.827) 28.489 4.819 ( 0.363 -53.478 0.186) 53.480 5.320 ( 1.181 -25.766 -0.141) 25.793 5.874 ( -2.043 5.301 -4.615) 7.319 6.709 ( 4.238 9.205 1.772) 10.287 7.530 ( 1.230 -17.186 1.787) 17.323 8.632 ( -0.534 21.167 -0.113) 21.174 14.724 ( 0.240 -8.856 -0.218) 8.861 15.547 ( 1.032 -6.837 1.772) 7.138 16.157 ( -1.421 32.349 -2.213) 32.456 17.063 ( -0.203 -3.534 2.948) 4.607 ======================= Grid point 512 (218/860) ======================= q-point: (-0.37 -0.63 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 2.106 -4.335 6.108) 7.780 3.454 ( -1.522 -35.552 6.358) 36.148 5.691 ( -0.883 -32.668 -2.329) 32.762 5.718 ( -2.744 -3.071 -4.331) 5.976 5.829 ( 2.572 -30.892 0.446) 31.003 6.556 ( -0.779 9.073 2.151) 9.357 7.862 ( 1.898 -15.616 2.198) 15.884 8.230 ( -1.200 21.867 -0.415) 21.904 14.755 ( -0.518 7.856 -3.623) 8.667 15.634 ( -0.946 16.651 0.628) 16.689 15.732 ( 2.080 -6.650 3.297) 7.708 17.065 ( 0.586 5.472 4.149) 6.892 ======================= Grid point 513 (219/860) ======================= q-point: (-0.32 -0.63 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 2.736 -6.965 7.514) 10.604 4.129 ( -1.019 -37.435 7.222) 38.139 5.525 ( -3.862 9.607 -5.573) 11.759 6.157 ( -1.384 -19.839 1.639) 19.955 6.295 ( 1.672 0.291 -4.071) 4.410 6.692 ( -0.261 -35.218 4.078) 35.454 7.728 ( -6.492 20.828 -3.460) 22.089 8.233 ( 4.654 -12.691 4.159) 14.143 14.366 ( -1.023 28.900 -6.398) 29.618 15.499 ( -0.036 0.393 3.425) 3.448 15.953 ( 1.442 -12.088 3.263) 12.604 16.927 ( 1.288 12.887 5.473) 14.060 ======================= Grid point 514 (220/860) ======================= q-point: (-0.26 -0.63 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 3.579 -10.121 8.049) 13.417 4.787 ( -0.666 -32.617 7.478) 33.470 5.265 ( -3.603 13.914 -3.024) 14.687 6.153 ( -3.912 5.068 -0.121) 6.403 6.527 ( 4.677 -14.633 0.875) 15.387 7.064 ( -8.843 9.140 -6.620) 14.337 7.553 ( -0.934 -22.585 1.506) 22.655 8.492 ( 3.496 -10.085 3.813) 11.334 13.793 ( -0.760 29.549 -5.879) 30.138 15.548 ( -0.610 -3.119 2.972) 4.351 16.171 ( 0.468 -8.692 0.896) 8.751 16.724 ( 2.288 13.037 7.478) 15.202 ======================= Grid point 515 (221/860) ======================= q-point: (-0.21 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 4.318 -13.080 7.411) 15.641 4.945 ( -0.126 19.187 3.463) 19.498 5.309 ( -1.823 -21.877 5.355) 22.596 6.049 ( -2.500 3.469 -0.061) 4.276 6.582 ( -8.591 17.728 -11.156) 22.640 6.827 ( -0.827 -9.972 0.610) 10.024 8.035 ( 0.472 -23.323 1.507) 23.377 8.672 ( 2.623 -5.384 3.550) 6.962 13.308 ( -0.548 21.076 -3.935) 21.447 15.606 ( -1.037 -2.813 1.948) 3.575 16.185 ( -0.239 6.975 -0.854) 7.031 16.679 ( 2.615 -2.258 6.574) 7.426 ======================= Grid point 516 (222/860) ======================= q-point: (-0.16 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( 3.658 -13.099 4.645) 14.371 4.625 ( 4.163 21.621 11.856) 25.007 5.558 ( -1.097 -4.678 3.074) 5.704 5.989 ( -2.202 1.351 -0.889) 2.732 6.147 ( -11.875 10.796 -17.988) 24.107 6.993 ( 1.064 -5.726 2.662) 6.404 8.322 ( 0.581 -7.444 0.247) 7.471 8.758 ( 2.118 -0.378 3.436) 4.054 13.038 ( -0.653 7.039 -0.378) 7.079 15.641 ( -0.943 -0.846 0.890) 1.548 16.039 ( 0.430 6.584 0.723) 6.637 16.805 ( 1.171 -6.404 0.224) 6.514 ======================= Grid point 517 (223/860) ======================= q-point: (-0.11 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( -0.342 -0.923 -0.025) 0.985 4.431 ( 10.251 13.097 19.563) 25.677 5.491 ( -0.510 10.972 -0.079) 10.984 5.861 ( -7.831 0.533 -17.581) 19.253 5.974 ( -1.913 -0.609 -5.186) 5.561 7.055 ( 0.254 0.843 2.909) 3.039 8.297 ( 0.950 10.654 -0.998) 10.742 8.754 ( 2.014 4.381 3.118) 5.742 13.058 ( -1.182 -8.997 4.315) 10.048 15.610 ( -0.416 3.776 -0.280) 3.809 16.018 ( 1.011 -2.677 1.712) 3.335 16.903 ( -0.506 -6.229 -6.630) 9.112 ======================= Grid point 518 (224/860) ======================= q-point: (-0.05 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( -1.660 14.234 0.862) 14.356 4.473 ( 8.780 4.025 14.118) 17.106 5.208 ( 2.494 21.498 -1.201) 21.675 5.805 ( -0.394 -6.998 -14.411) 16.025 5.975 ( -0.305 -4.117 -5.505) 6.881 7.005 ( -0.638 5.373 2.127) 5.814 7.970 ( 1.361 25.947 -1.510) 26.027 8.669 ( 2.263 8.616 2.405) 9.227 13.356 ( -1.948 -21.909 8.664) 23.640 15.524 ( 0.381 4.631 -2.202) 5.142 16.110 ( 1.545 -3.421 2.231) 4.367 16.978 ( -2.474 -9.735 -12.401) 15.959 ======================= Grid point 527 (225/860) ======================= q-point: ( 0.42 0.42 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -0.565 0.000 3.871) 3.912 2.114 ( -3.531 0.000 10.805) 11.367 2.468 ( -1.449 0.000 -2.083) 2.538 4.087 ( 2.245 -0.000 -2.725) 3.531 6.185 ( 1.242 -0.000 4.119) 4.302 6.408 ( 18.609 -0.000 -5.447) 19.389 7.243 ( -4.948 0.000 -1.097) 5.068 9.465 ( 1.667 -0.000 1.920) 2.543 14.013 ( 0.414 -0.000 0.929) 1.017 15.422 ( -0.912 0.000 0.450) 1.017 16.328 ( 0.760 -0.000 -1.147) 1.376 17.697 ( -4.498 0.000 0.302) 4.508 ======================= Grid point 528 (226/860) ======================= q-point: ( 0.47 0.42 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -0.987 -31.553 3.378) 31.749 2.151 ( -4.503 -6.444 9.616) 12.421 2.427 ( 0.099 2.583 -0.906) 2.740 4.194 ( 1.966 -11.248 -2.343) 11.657 6.132 ( -3.198 2.294 -6.124) 7.280 6.622 ( 20.850 -4.120 4.596) 21.744 7.188 ( -6.746 1.078 0.747) 6.872 9.418 ( 0.372 6.780 0.893) 6.848 14.095 ( 0.125 -8.035 1.234) 8.131 15.412 ( -0.263 0.603 0.919) 1.130 16.426 ( 0.226 -10.535 -1.764) 10.685 17.554 ( -3.454 12.044 -1.091) 12.577 ======================= Grid point 529 (227/860) ======================= q-point: ( 0.53 0.42 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -4.798 -5.651 9.832) 12.313 2.391 ( 1.402 0.545 0.358) 1.547 2.917 ( -0.921 -50.801 1.656) 50.836 4.479 ( 1.560 -19.751 -1.548) 19.873 6.025 ( -2.414 3.288 -7.676) 8.692 6.897 ( 19.271 -3.608 5.756) 20.433 7.107 ( -10.770 -1.044 2.029) 11.009 9.245 ( -0.722 12.696 -0.275) 12.720 14.290 ( -0.062 -12.642 1.302) 12.709 15.418 ( 0.473 -0.908 1.686) 1.973 16.647 ( 0.118 -13.781 -2.274) 13.968 17.222 ( -2.284 21.443 -1.169) 21.595 ======================= Grid point 530 (228/860) ======================= q-point: (-0.42 -0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -0.676 -3.935 7.399) 8.408 2.495 ( -1.278 -13.779 4.496) 14.550 3.857 ( -0.913 -54.726 0.822) 54.740 4.880 ( 0.991 -24.361 -0.678) 24.390 5.908 ( -2.068 3.794 -7.973) 9.069 6.897 ( -2.003 8.855 2.058) 9.309 7.284 ( 5.425 -14.554 5.810) 16.583 8.962 ( -1.931 17.527 -1.290) 17.680 14.527 ( -0.072 -12.902 0.955) 12.938 15.474 ( 1.038 -3.674 2.670) 4.658 16.655 ( -0.558 22.694 -6.338) 23.569 16.970 ( 0.219 -5.130 4.230) 6.653 ======================= Grid point 531 (229/860) ======================= q-point: (-0.37 -0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 1.668 -2.817 7.712) 8.379 2.892 ( -2.267 -28.645 6.372) 29.433 4.813 ( -1.403 -53.394 0.069) 53.412 5.325 ( -0.339 -25.025 -0.128) 25.027 5.787 ( -1.339 3.529 -7.828) 8.690 6.707 ( -5.564 9.135 1.595) 10.815 7.629 ( 5.700 -15.512 5.667) 17.471 8.589 ( -3.343 21.057 -1.989) 21.413 14.721 ( -0.238 -7.699 -0.338) 7.710 15.591 ( 1.192 -6.697 3.531) 7.664 16.120 ( 0.042 30.151 -3.434) 30.346 17.110 ( 1.674 -3.683 4.538) 6.080 ======================= Grid point 532 (230/860) ======================= q-point: (-0.32 -0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 2.246 -4.710 8.620) 10.076 3.492 ( -1.812 -36.431 7.483) 37.236 5.505 ( -10.181 -9.290 -6.941) 15.431 5.741 ( 1.534 -31.313 0.936) 31.364 5.870 ( 3.321 -25.224 -2.471) 25.561 6.530 ( -4.665 5.476 2.244) 7.536 7.924 ( 1.961 -4.523 4.023) 6.363 8.189 ( -2.810 13.409 -1.518) 13.784 14.706 ( -0.728 10.890 -4.509) 11.809 15.633 ( -0.716 13.022 1.777) 13.162 15.802 ( 2.506 -5.955 3.410) 7.305 17.136 ( 2.465 5.487 5.917) 8.438 ======================= Grid point 533 (231/860) ======================= q-point: (-0.26 -0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 2.867 -7.420 8.753) 11.828 4.181 ( -1.764 -37.868 8.229) 38.792 5.364 ( -8.386 5.789 -7.179) 12.465 6.107 ( -5.004 -9.569 1.861) 10.957 6.318 ( 4.064 -11.969 -3.798) 13.199 6.727 ( -0.486 -32.547 4.126) 32.811 7.591 ( -6.633 23.213 -2.270) 24.248 8.329 ( 2.577 -12.898 3.172) 13.530 14.287 ( -0.637 28.847 -7.368) 29.780 15.532 ( -0.538 0.573 4.626) 4.692 16.006 ( 1.351 -10.693 2.824) 11.142 17.022 ( 3.074 12.716 7.285) 14.974 ======================= Grid point 534 (232/860) ======================= q-point: (-0.21 -0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 3.571 -10.500 7.914) 13.625 4.833 ( -2.897 -32.191 7.066) 33.084 5.149 ( -6.179 7.792 -3.515) 10.548 6.083 ( -4.078 2.869 0.132) 4.988 6.598 ( 1.898 -15.245 -0.133) 15.363 6.890 ( -5.733 22.740 -2.196) 23.554 7.541 ( -1.584 -29.650 0.549) 29.697 8.566 ( 1.579 -10.052 2.543) 10.488 13.725 ( -0.319 28.551 -6.798) 29.351 15.569 ( -1.154 -2.009 4.672) 5.215 16.177 ( 0.020 -5.837 -0.469) 5.856 16.851 ( 3.852 12.231 8.883) 15.600 ======================= Grid point 535 (233/860) ======================= q-point: (-0.16 -0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 3.871 -12.571 5.906) 14.418 4.916 ( -5.463 8.187 -0.463) 9.853 5.350 ( -0.662 -19.773 6.849) 20.936 6.004 ( -2.503 2.664 -0.342) 3.671 6.333 ( -9.703 25.570 -5.547) 27.906 6.863 ( 2.554 -10.822 1.208) 11.185 8.045 ( -0.301 -23.763 0.556) 23.771 8.727 ( 0.784 -5.832 1.813) 6.157 13.261 ( -0.224 19.518 -4.595) 20.053 15.613 ( -1.389 -1.846 3.710) 4.371 16.166 ( -0.498 5.421 -1.930) 5.776 16.792 ( 3.507 2.290 6.794) 7.982 ======================= Grid point 536 (234/860) ======================= q-point: (-0.11 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 2.512 -9.541 2.772) 10.249 4.753 ( -0.647 8.092 5.391) 9.744 5.588 ( -0.196 -4.014 4.363) 5.932 5.825 ( -7.173 15.609 -9.457) 19.609 5.964 ( -1.830 2.145 -0.248) 2.830 7.030 ( 0.767 -5.346 1.807) 5.695 8.328 ( 0.227 -7.546 -0.376) 7.559 8.802 ( 0.448 -1.305 1.141) 1.790 13.022 ( -0.557 5.054 -0.763) 5.142 15.641 ( -1.027 -0.357 2.503) 2.729 16.046 ( 0.063 4.945 -0.412) 4.962 16.830 ( 1.768 -0.891 0.198) 1.990 ======================= Grid point 537 (235/860) ======================= q-point: (-0.05 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( -1.087 3.186 0.119) 3.368 4.677 ( 2.079 4.739 6.105) 8.003 5.528 ( 3.100 11.852 4.873) 13.184 5.623 ( -1.288 -2.010 -11.006) 11.262 5.933 ( -0.633 0.233 -1.321) 1.483 7.074 ( -0.716 1.362 1.876) 2.426 8.302 ( 0.909 10.441 -1.307) 10.562 8.792 ( 0.540 3.204 0.358) 3.269 13.076 ( -1.350 -10.913 3.940) 11.681 15.610 ( -0.242 4.323 1.284) 4.516 16.043 ( 0.581 -4.254 0.741) 4.357 16.834 ( -0.153 -0.688 -6.717) 6.754 ======================= Grid point 547 (236/860) ======================= q-point: ( 0.47 0.47 -0.89) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -2.092 0.000 2.092) 2.959 2.142 ( -5.766 0.000 11.087) 12.497 2.457 ( 1.379 -0.000 0.132) 1.386 4.097 ( 1.845 -0.000 -2.487) 3.097 6.086 ( -2.518 0.000 -10.379) 10.680 6.760 ( 14.165 -0.000 8.547) 16.544 7.165 ( -4.455 0.000 2.926) 5.329 9.478 ( -0.857 0.000 -0.141) 0.869 14.028 ( -0.036 0.000 1.592) 1.593 15.422 ( -0.132 0.000 1.407) 1.413 16.320 ( 0.333 -0.000 -2.473) 2.496 17.628 ( -2.553 0.000 -2.808) 3.796 ======================= Grid point 548 (237/860) ======================= q-point: (-0.47 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -2.591 -35.524 0.742) 35.626 2.153 ( -7.136 -1.840 10.571) 12.886 2.460 ( 3.211 1.296 1.871) 3.936 4.203 ( 1.546 -11.384 -2.053) 11.671 6.004 ( -2.056 1.422 -11.237) 11.512 6.920 ( 1.519 -5.034 8.979) 10.405 7.137 ( 3.100 3.674 4.453) 6.552 9.404 ( -1.669 6.773 -1.069) 7.057 14.108 ( -0.268 -7.925 1.807) 8.133 15.427 ( 0.405 0.178 2.101) 2.147 16.409 ( 0.269 -10.591 -2.710) 10.935 17.491 ( -1.471 11.586 -3.891) 12.310 ======================= Grid point 549 (238/860) ======================= q-point: (-0.42 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -7.813 -6.832 9.118) 13.815 2.451 ( 3.587 -0.597 2.817) 4.600 2.910 ( -1.545 -50.113 1.469) 50.159 4.488 ( 1.090 -19.879 -1.214) 19.946 5.900 ( -2.513 2.373 -10.934) 11.467 6.940 ( -13.622 1.153 5.364) 14.686 7.230 ( 13.670 -3.641 7.252) 15.897 9.205 ( -2.604 12.921 -1.823) 13.306 14.300 ( -0.373 -12.521 1.693) 12.641 15.453 ( 1.023 -1.384 3.172) 3.609 16.634 ( 1.118 -13.465 -2.459) 13.733 17.179 ( -0.388 19.445 -3.277) 19.723 ======================= Grid point 550 (239/860) ======================= q-point: (-0.37 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -5.843 -11.461 8.870) 15.626 2.552 ( 2.818 -8.426 4.885) 10.139 3.841 ( -1.875 -54.677 0.678) 54.713 4.885 ( 0.332 -24.130 -0.436) 24.137 5.780 ( -3.385 2.615 -10.295) 11.148 6.785 ( -11.723 5.990 3.685) 13.671 7.485 ( 8.746 -10.283 6.712) 15.076 8.895 ( -3.909 17.946 -2.256) 18.505 14.533 ( -0.425 -12.568 1.195) 12.632 15.527 ( 1.433 -3.886 4.195) 5.895 16.596 ( 0.648 22.618 -6.565) 23.561 17.028 ( 2.529 -7.185 3.689) 8.464 ======================= Grid point 551 (240/860) ======================= q-point: (-0.32 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -0.442 -5.212 8.805) 10.241 2.921 ( -1.594 -28.490 6.466) 29.258 4.771 ( -3.720 -50.816 -0.199) 50.952 5.308 ( -1.405 -23.073 -0.335) 23.118 5.683 ( -2.155 -1.465 -8.476) 8.868 6.596 ( -9.195 6.612 2.434) 11.584 7.783 ( 5.497 -13.227 5.608) 15.383 8.493 ( -5.552 21.715 -2.369) 22.539 14.711 ( -0.648 -6.221 -0.212) 6.258 15.649 ( 1.146 -5.912 4.761) 7.676 16.094 ( 1.197 27.492 -4.366) 27.862 17.205 ( 4.159 -3.997 5.720) 8.123 ======================= Grid point 552 (241/860) ======================= q-point: (-0.26 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 1.059 -5.918 8.441) 10.363 3.529 ( -2.493 -37.131 7.470) 37.956 5.253 ( -12.557 -7.508 -6.460) 15.993 5.771 ( 0.089 -29.331 2.764) 29.461 5.891 ( 3.184 -27.935 -4.500) 28.474 6.458 ( -6.328 1.034 2.161) 6.767 7.978 ( -1.611 20.063 3.293) 20.395 8.123 ( -2.113 -8.848 -0.995) 9.151 14.651 ( -0.790 13.629 -4.449) 14.358 15.642 ( -0.722 10.744 2.526) 11.061 15.873 ( 2.587 -5.761 2.648) 6.848 17.257 ( 4.790 5.733 7.243) 10.406 ======================= Grid point 553 (242/860) ======================= q-point: (-0.21 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 1.777 -8.416 7.287) 11.273 4.215 ( -3.358 -37.873 7.283) 38.713 5.137 ( -11.043 2.181 -5.905) 12.711 6.053 ( -3.387 -5.420 1.727) 6.620 6.338 ( 2.231 -14.163 -2.987) 14.646 6.746 ( -1.591 -35.355 3.401) 35.554 7.475 ( -6.315 25.775 0.058) 26.537 8.373 ( 0.333 -13.420 1.185) 13.477 14.210 ( -0.341 28.959 -7.219) 29.847 15.567 ( -0.999 0.490 5.489) 5.600 16.045 ( 1.007 -8.641 1.411) 8.813 17.163 ( 5.102 12.747 8.387) 16.089 ======================= Grid point 554 (243/860) ======================= q-point: (-0.16 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 2.308 -11.252 5.259) 12.633 4.778 ( -8.539 -20.506 -0.284) 22.215 5.046 ( -4.355 -8.408 2.012) 9.681 6.034 ( -2.157 2.505 0.438) 3.335 6.555 ( -5.998 -5.365 0.686) 8.076 6.867 ( 1.376 18.751 2.544) 18.973 7.515 ( -1.813 -33.546 0.117) 33.595 8.586 ( -0.607 -10.412 0.065) 10.430 13.658 ( 0.001 27.764 -6.755) 28.574 15.597 ( -1.559 -1.207 6.095) 6.406 16.163 ( -0.412 -3.465 -2.013) 4.028 17.011 ( 5.315 12.526 9.036) 16.334 ======================= Grid point 555 (244/860) ======================= q-point: (-0.11 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 2.549 -12.408 2.977) 13.013 4.762 ( -9.160 0.437 -6.398) 11.181 5.383 ( -2.476 -18.110 4.552) 18.837 5.975 ( -0.651 2.773 0.198) 2.855 6.207 ( -6.100 25.554 7.067) 27.205 6.913 ( 2.449 -8.587 0.370) 8.937 8.039 ( -0.698 -24.312 0.038) 24.322 8.728 ( -1.107 -6.622 -0.932) 6.778 13.216 ( -0.009 18.174 -4.540) 18.732 15.631 ( -1.586 -1.035 5.281) 5.610 16.131 ( -0.859 4.163 -3.193) 5.317 16.918 ( 4.416 6.788 6.262) 10.236 ======================= Grid point 556 (245/860) ======================= q-point: (-0.05 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 1.621 -6.824 1.767) 7.233 4.652 ( -8.356 -1.108 -10.678) 13.604 5.559 ( -3.044 -3.406 -1.003) 4.677 5.845 ( 4.642 15.926 13.899) 21.642 5.945 ( -0.942 2.141 0.959) 2.528 7.048 ( -0.045 -4.479 0.708) 4.535 8.324 ( 0.033 -7.902 -0.745) 7.937 8.793 ( -1.102 -2.421 -1.780) 3.201 13.006 ( -0.533 3.371 -0.828) 3.512 15.654 ( -1.031 0.003 3.923) 4.056 16.032 ( -0.483 3.149 -1.794) 3.656 16.868 ( 2.558 4.817 0.180) 5.457 ======================= Grid point 567 (246/860) ======================= q-point: (-0.47 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -3.778 0.000 0.640) 3.831 2.123 ( -8.852 0.000 10.248) 13.542 2.514 ( 3.875 -0.000 2.178) 4.445 4.101 ( 1.423 -0.000 -2.284) 2.691 5.942 ( -2.556 0.000 -12.320) 12.582 6.891 ( -8.324 0.000 9.463) 12.603 7.248 ( 8.897 -0.000 6.662) 11.115 9.445 ( -1.872 0.000 -1.262) 2.257 14.041 ( -0.504 0.000 2.174) 2.231 15.444 ( 0.615 -0.000 2.407) 2.484 16.293 ( -0.112 0.000 -3.600) 3.602 17.563 ( -0.499 0.000 -5.594) 5.616 ======================= Grid point 568 (247/860) ======================= q-point: (-0.42 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -4.968 -32.144 0.695) 32.533 2.110 ( -8.809 -5.615 8.090) 13.212 2.552 ( 4.236 0.026 3.554) 5.530 4.206 ( 1.134 -11.556 -1.846) 11.757 5.849 ( -4.235 1.011 -11.759) 12.540 6.857 ( -12.715 -0.631 8.508) 15.312 7.347 ( 9.653 0.582 6.660) 11.742 9.359 ( -2.059 7.387 -1.037) 7.738 14.119 ( -0.661 -7.857 2.258) 8.202 15.464 ( 1.109 -0.290 3.243) 3.440 16.386 ( 0.412 -11.843 -3.237) 12.284 17.434 ( 0.436 11.097 -6.414) 12.825 ======================= Grid point 569 (248/860) ======================= q-point: (-0.37 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -9.786 -8.195 7.683) 14.898 2.532 ( 1.988 -5.384 2.951) 6.454 2.899 ( -1.432 -46.814 1.776) 46.870 4.492 ( 0.670 -19.933 -1.060) 19.973 5.729 ( -6.427 1.619 -10.522) 12.435 6.773 ( -13.232 2.246 6.719) 15.009 7.464 ( 7.322 -3.387 4.893) 9.436 9.142 ( -3.026 14.214 -0.802) 14.554 14.309 ( -0.679 -12.369 1.930) 12.537 15.510 ( 1.613 -1.828 4.357) 4.993 16.641 ( 2.318 -13.648 -1.730) 13.951 17.148 ( 1.565 16.544 -5.370) 17.464 ======================= Grid point 570 (249/860) ======================= q-point: (-0.32 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -8.350 -16.588 7.923) 20.191 2.645 ( 2.194 -6.733 4.364) 8.318 3.810 ( -2.635 -54.112 0.716) 54.181 4.882 ( -0.310 -23.505 -0.494) 23.513 5.600 ( -7.662 0.658 -8.664) 11.585 6.633 ( -10.776 5.018 4.380) 12.668 7.638 ( 3.499 -9.282 2.655) 10.269 8.809 ( -4.418 19.396 -0.294) 19.895 14.535 ( -0.759 -12.163 1.368) 12.263 15.597 ( 1.777 -3.886 5.162) 6.701 16.552 ( 1.368 23.289 -6.390) 24.188 17.127 ( 5.687 -10.489 3.473) 12.426 ======================= Grid point 571 (250/860) ======================= q-point: (-0.26 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -3.525 -10.060 7.894) 13.265 2.950 ( -1.886 -26.775 4.588) 27.230 4.688 ( -6.116 -44.091 -0.090) 44.513 5.272 ( -2.354 -22.283 -0.952) 22.428 5.568 ( -3.721 -9.779 -4.881) 11.546 6.479 ( -7.470 5.216 2.242) 9.383 7.864 ( -0.528 -13.602 -0.203) 13.613 8.393 ( -4.872 23.304 1.568) 23.860 14.697 ( -0.972 -4.763 0.103) 4.862 15.714 ( 0.917 -4.209 5.412) 6.917 16.076 ( 1.941 24.527 -5.076) 25.122 17.355 ( 7.242 -4.159 6.585) 10.635 ======================= Grid point 572 (251/860) ======================= q-point: (-0.21 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -1.191 -7.757 5.840) 9.783 3.537 ( -4.195 -37.665 5.242) 38.259 4.997 ( -12.616 -5.756 -2.585) 14.106 5.796 ( -0.784 -24.322 3.852) 24.637 5.891 ( 2.175 -35.698 -4.879) 36.095 6.375 ( -5.615 -0.431 1.459) 5.817 7.876 ( -9.855 20.466 -1.942) 22.798 8.146 ( 1.696 -9.132 3.096) 9.791 14.600 ( -0.778 15.882 -3.745) 16.336 15.654 ( -0.851 9.076 2.823) 9.543 15.933 ( 2.353 -5.195 1.479) 5.891 17.427 ( 7.348 6.434 7.870) 12.543 ======================= Grid point 573 (252/860) ======================= q-point: (-0.16 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -0.737 -9.886 3.144) 10.399 4.192 ( -5.907 -36.486 3.731) 37.148 4.930 ( -9.501 -0.930 -0.647) 9.568 6.029 ( -1.822 -4.113 2.126) 4.976 6.333 ( 0.190 -11.615 -2.454) 11.873 6.739 ( -2.508 -40.465 2.507) 40.620 7.381 ( -6.671 24.611 2.373) 25.609 8.363 ( -1.520 -12.837 -1.161) 12.979 14.143 ( -0.115 29.225 -6.235) 29.883 15.600 ( -1.411 0.030 5.879) 6.046 16.064 ( 0.592 -6.194 -0.250) 6.227 17.342 ( 7.019 13.270 8.381) 17.194 ======================= Grid point 574 (253/860) ======================= q-point: (-0.11 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( -0.327 -12.938 0.362) 12.947 4.591 ( -9.955 -10.465 -4.208) 15.043 5.019 ( -4.033 -18.645 4.791) 19.669 6.020 ( -0.491 2.434 1.273) 2.790 6.469 ( -6.842 -0.306 4.667) 8.288 6.929 ( 1.608 12.751 4.161) 13.509 7.486 ( -1.733 -35.835 -0.100) 35.877 8.548 ( -2.525 -10.837 -2.885) 11.495 13.601 ( 0.223 27.245 -5.830) 27.862 15.631 ( -1.831 -0.865 6.980) 7.268 16.127 ( -0.745 -1.557 -3.464) 3.870 17.188 ( 6.461 13.759 7.995) 17.175 ======================= Grid point 575 (254/860) ======================= q-point: (-0.05 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 0.799 -14.323 -0.768) 14.366 4.514 ( -10.924 1.541 -10.416) 15.173 5.362 ( -3.745 -16.477 3.026) 17.166 5.981 ( 0.204 2.404 1.409) 2.793 6.259 ( -1.580 17.495 16.126) 23.846 6.947 ( 1.535 -6.036 -0.114) 6.229 8.024 ( -0.843 -24.819 -0.299) 24.835 8.674 ( -2.658 -7.631 -3.941) 8.990 13.178 ( 0.104 17.183 -3.742) 17.586 15.659 ( -1.634 -0.465 6.365) 6.588 16.079 ( -1.180 3.254 -4.440) 5.630 17.050 ( 5.091 10.861 5.045) 13.013 ======================= Grid point 587 (255/860) ======================= q-point: (-0.42 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -5.606 0.000 -0.430) 5.623 2.044 ( -11.327 0.000 8.298) 14.042 2.602 ( 3.501 -0.000 2.417) 4.254 4.101 ( 1.030 -0.000 -2.129) 2.365 5.758 ( -7.429 0.000 -10.211) 12.627 6.795 ( -11.462 0.000 8.249) 14.122 7.446 ( 6.002 -0.000 5.285) 7.997 9.417 ( -0.624 0.000 1.181) 1.335 14.052 ( -0.936 0.000 2.626) 2.788 15.487 ( 1.419 -0.000 3.429) 3.711 16.250 ( -0.535 0.000 -4.417) 4.449 17.506 ( 1.238 -0.000 -7.942) 8.038 ======================= Grid point 588 (256/860) ======================= q-point: (-0.37 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -8.040 -26.087 2.186) 27.385 2.019 ( -9.341 -13.357 4.254) 16.845 2.640 ( 2.459 -1.187 2.405) 3.638 4.205 ( 0.779 -11.728 -1.751) 11.884 5.635 ( -10.825 0.639 -7.701) 13.300 6.734 ( -10.468 1.022 6.755) 12.500 7.496 ( 2.619 -0.215 1.808) 3.189 9.344 ( -0.245 9.393 3.259) 9.945 14.128 ( -0.998 -7.802 2.527) 8.261 15.523 ( 1.880 -0.697 4.208) 4.661 16.366 ( 0.853 -14.755 -3.029) 15.087 17.384 ( 1.926 10.595 -8.572) 13.764 ======================= Grid point 589 (257/860) ======================= q-point: (-0.32 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -11.431 -10.053 6.614) 16.598 2.547 ( -2.323 -14.834 0.255) 15.017 2.898 ( -0.977 -39.679 1.700) 39.727 4.489 ( 0.265 -19.843 -1.157) 19.879 5.495 ( -12.820 0.528 -4.919) 13.741 6.645 ( -8.967 3.208 4.824) 10.676 7.534 ( -1.007 -4.110 -2.154) 4.748 9.112 ( -1.881 17.254 3.913) 17.792 14.314 ( -0.947 -12.186 1.965) 12.379 15.586 ( 2.193 -2.083 4.963) 5.812 16.683 ( 3.704 -13.094 0.338) 13.613 17.132 ( 3.759 11.396 -7.329) 14.061 ======================= Grid point 590 (258/860) ======================= q-point: (-0.26 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -9.566 -20.143 7.181) 23.427 2.675 ( -1.869 -7.797 0.234) 8.022 3.772 ( -2.924 -53.062 0.910) 53.150 4.862 ( -1.474 -22.101 -0.870) 22.168 5.389 ( -11.236 -2.838 -1.714) 11.715 6.524 ( -6.487 4.950 2.451) 8.520 7.618 ( -4.900 -10.019 -5.193) 12.303 8.764 ( -3.455 21.257 4.554) 22.012 14.533 ( -1.062 -11.796 1.437) 11.931 15.679 ( 2.052 -3.621 5.412) 6.827 16.520 ( 1.630 24.368 -5.933) 25.133 17.285 ( 9.658 -14.054 3.892) 17.491 ======================= Grid point 591 (259/860) ======================= q-point: (-0.21 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -5.940 -14.021 6.232) 16.453 2.918 ( -4.997 -26.569 -0.400) 27.038 4.586 ( -6.718 -35.658 1.907) 36.335 5.212 ( -3.893 -25.289 -0.661) 25.596 5.488 ( -3.451 -16.568 0.770) 16.941 6.398 ( -4.041 4.870 0.440) 6.343 7.736 ( -9.583 -11.708 -7.857) 17.048 8.381 ( -2.352 20.712 6.649) 21.880 14.682 ( -1.234 -3.583 0.484) 3.820 15.779 ( 0.629 -1.491 5.615) 5.843 16.061 ( 2.302 21.350 -5.573) 22.185 17.564 ( 10.550 -3.619 6.975) 13.155 ======================= Grid point 592 (260/860) ======================= q-point: (-0.16 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -4.802 -9.261 0.861) 10.467 3.482 ( -6.396 -38.681 1.939) 39.254 4.821 ( -9.269 -4.787 3.979) 11.165 5.810 ( -1.680 -18.308 2.238) 18.520 5.878 ( 0.610 -45.609 -1.558) 45.640 6.306 ( -3.461 1.046 -0.068) 3.617 7.665 ( -12.389 9.407 -3.061) 15.854 8.188 ( -0.464 -0.507 2.630) 2.718 14.557 ( -0.741 17.547 -2.677) 17.765 15.665 ( -0.997 7.878 2.706) 8.389 15.977 ( 1.974 -4.187 0.358) 4.643 17.639 ( 9.632 7.841 7.472) 14.494 ======================= Grid point 593 (261/860) ======================= q-point: (-0.11 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -4.912 -11.896 -3.108) 13.240 4.105 ( -6.724 -33.990 1.525) 34.682 4.821 ( -6.581 -2.851 4.265) 8.344 6.032 ( -0.862 -4.438 2.983) 5.417 6.300 ( -1.649 -8.680 -1.903) 9.038 6.718 ( -2.288 -44.072 1.861) 44.170 7.302 ( -6.734 19.029 4.443) 20.669 8.300 ( -3.417 -11.264 -3.752) 12.354 14.092 ( 0.057 29.535 -4.667) 29.902 15.629 ( -1.740 -0.793 5.677) 5.990 16.062 ( 0.283 -3.585 -1.600) 3.936 17.542 ( 8.385 14.416 7.098) 18.124 ======================= Grid point 594 (262/860) ======================= q-point: (-0.05 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( -3.902 -16.267 -5.498) 17.609 4.408 ( -8.138 -4.465 -2.742) 9.679 4.986 ( -4.967 -20.502 3.678) 21.414 6.038 ( 0.517 2.481 2.327) 3.441 6.429 ( -4.774 -4.132 7.043) 9.459 6.992 ( 0.389 10.569 5.994) 12.156 7.458 ( -1.442 -37.048 -0.227) 37.077 8.451 ( -4.169 -11.435 -5.901) 13.527 13.559 ( 0.349 26.971 -4.188) 27.297 15.666 ( -1.976 -1.080 7.147) 7.493 16.076 ( -0.893 0.158 -4.554) 4.643 17.365 ( 7.044 15.497 5.919) 18.023 ======================= Grid point 607 (263/860) ======================= q-point: (-0.37 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -7.558 0.000 -1.032) 7.629 1.910 ( -13.418 0.000 6.341) 14.841 2.650 ( 0.298 -0.000 -0.158) 0.338 4.095 ( 0.707 -0.000 -2.033) 2.153 5.507 ( -15.165 0.000 -3.235) 15.506 6.699 ( -7.288 0.000 4.571) 8.603 7.496 ( -2.250 0.000 -2.710) 3.522 9.477 ( 3.006 -0.000 8.588) 9.099 14.060 ( -1.286 0.000 2.893) 3.166 15.554 ( 2.271 -0.000 4.334) 4.893 16.195 ( -0.896 0.000 -4.827) 4.910 17.454 ( 2.359 -0.000 -9.692) 9.975 ======================= Grid point 608 (264/860) ======================= q-point: (-0.32 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -12.187 -15.621 4.855) 20.399 1.889 ( -8.612 -26.532 -0.177) 27.895 2.655 ( -1.849 -2.753 -1.372) 3.589 4.199 ( 0.483 -11.823 -1.775) 11.965 5.366 ( -17.464 0.014 1.118) 17.500 6.649 ( -5.332 1.902 2.613) 6.235 7.440 ( -6.300 -1.010 -7.637) 9.952 9.428 ( 2.469 13.760 10.679) 17.591 14.134 ( -1.247 -7.717 2.548) 8.222 15.602 ( 2.614 -0.853 4.663) 5.413 16.364 ( 1.930 -20.235 -1.646) 20.394 17.336 ( 2.838 10.081 -10.239) 14.646 ======================= Grid point 609 (265/860) ======================= q-point: (-0.26 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -12.820 -12.518 5.640) 18.785 2.461 ( -6.801 -19.963 -2.625) 21.252 2.880 ( -2.584 -37.531 -0.485) 37.623 4.477 ( -0.331 -19.348 -1.301) 19.395 5.249 ( -16.286 -1.381 5.026) 17.100 6.568 ( -3.992 3.898 1.039) 5.675 7.384 ( -9.505 -5.572 -10.816) 15.439 9.150 ( -1.528 21.865 9.012) 23.698 14.314 ( -1.175 -11.978 1.784) 12.167 15.672 ( 2.682 -2.099 4.747) 5.842 16.768 ( 4.358 -6.987 3.341) 8.887 17.145 ( 7.461 -0.586 -8.387) 11.241 ======================= Grid point 610 (266/860) ======================= q-point: (-0.21 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -10.225 -23.808 6.495) 26.713 2.570 ( -8.116 -9.091 -5.837) 13.513 3.733 ( -2.814 -52.686 0.815) 52.767 4.816 ( -3.608 -19.374 0.474) 19.713 5.236 ( -9.879 -7.886 6.890) 14.396 6.461 ( -2.491 5.077 -0.779) 5.709 7.394 ( -12.052 -11.194 -11.601) 20.128 8.765 ( -4.105 22.348 7.511) 23.931 14.527 ( -1.340 -11.537 1.399) 11.699 15.763 ( 2.314 -3.208 4.982) 6.361 16.493 ( 1.527 25.519 -5.295) 26.108 17.519 ( 14.107 -16.436 4.802) 22.186 ======================= Grid point 611 (267/860) ======================= q-point: (-0.16 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -8.886 -12.885 2.169) 15.801 2.779 ( -8.529 -31.647 -3.936) 33.011 4.524 ( -4.475 -31.519 4.735) 32.185 5.144 ( -5.256 -28.422 2.720) 29.031 5.463 ( -2.452 -19.000 3.526) 19.480 6.350 ( -1.123 4.788 -1.862) 5.258 7.451 ( -13.694 -11.824 -10.146) 20.743 8.397 ( -4.030 18.229 6.516) 19.774 14.666 ( -1.450 -2.832 0.827) 3.287 15.839 ( 0.420 2.288 5.618) 6.081 16.046 ( 2.394 17.876 -5.892) 18.974 17.825 ( 13.403 -1.753 6.535) 15.014 ======================= Grid point 612 (268/860) ======================= q-point: (-0.11 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -9.898 -10.459 -5.686) 15.482 3.388 ( -6.356 -40.442 1.608) 40.970 4.764 ( -5.447 -3.474 8.296) 10.515 5.767 ( -4.456 -27.172 -0.249) 27.537 5.896 ( 0.593 -39.828 2.551) 39.914 6.265 ( -0.635 2.795 -1.231) 3.120 7.435 ( -11.973 -0.087 -2.499) 12.231 8.169 ( -3.952 4.344 0.776) 5.924 14.526 ( -0.705 18.532 -1.450) 18.602 15.671 ( -1.076 7.181 2.239) 7.598 16.006 ( 1.621 -2.894 -0.417) 3.343 17.873 ( 11.050 10.054 5.847) 16.043 ======================= Grid point 613 (269/860) ======================= q-point: (-0.05 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -9.177 -14.678 -8.470) 19.272 4.027 ( -4.905 -32.781 2.576) 33.246 4.765 ( -6.022 -1.133 4.428) 7.560 6.050 ( -1.062 -7.448 3.862) 8.457 6.257 ( -1.261 -6.565 -1.126) 6.779 6.703 ( -1.410 -44.906 1.373) 44.950 7.253 ( -5.406 11.660 6.714) 14.500 8.179 ( -5.640 -9.691 -6.566) 12.994 14.059 ( 0.156 29.758 -2.726) 29.883 15.648 ( -1.933 -1.838 4.734) 5.434 16.046 ( 0.173 -0.998 -2.248) 2.466 17.739 ( 8.839 16.042 4.625) 18.891 ======================= Grid point 627 (270/860) ======================= q-point: (-0.32 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -9.616 0.000 -1.021) 9.670 1.726 ( -15.408 0.000 4.584) 16.075 2.589 ( -5.587 0.000 -4.505) 7.177 4.086 ( 0.486 -0.000 -2.006) 2.064 5.229 ( -20.083 0.000 7.176) 21.327 6.642 ( -2.332 0.000 -0.225) 2.342 7.315 ( -10.588 0.000 -12.787) 16.601 9.675 ( 6.198 -0.000 16.740) 17.851 14.064 ( -1.519 0.000 2.915) 3.287 15.641 ( 3.045 -0.000 4.856) 5.731 16.133 ( -1.157 0.000 -4.758) 4.897 17.402 ( 2.777 -0.000 -10.565) 10.924 ======================= Grid point 628 (271/860) ======================= q-point: (-0.26 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -15.656 -7.313 5.420) 18.110 1.740 ( -8.313 -38.367 -1.874) 39.302 2.538 ( -8.623 -4.889 -5.970) 11.571 4.188 ( 0.244 -11.743 -1.767) 11.878 5.120 ( -19.298 -1.166 12.097) 22.805 6.603 ( -1.070 2.415 -1.894) 3.251 7.162 ( -13.333 -2.097 -16.105) 21.013 9.601 ( 2.550 21.125 15.689) 26.437 14.135 ( -1.399 -7.555 2.288) 8.017 15.692 ( 3.147 -0.621 4.206) 5.290 16.410 ( 4.245 -29.650 1.370) 29.984 17.285 ( 3.183 9.612 -11.196) 15.095 ======================= Grid point 629 (272/860) ======================= q-point: (-0.21 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -13.731 -15.718 4.453) 21.341 2.272 ( -11.801 -16.753 -5.536) 21.227 2.800 ( -5.380 -44.061 -2.191) 44.442 4.457 ( -0.902 -18.426 -0.407) 18.452 5.087 ( -14.539 -4.152 14.984) 21.287 6.522 ( -0.838 4.274 -3.514) 5.596 7.051 ( -14.640 -7.508 -15.895) 22.877 9.200 ( -4.436 27.058 10.338) 29.303 14.309 ( -1.373 -11.771 1.488) 11.944 15.759 ( 3.107 -2.019 3.829) 5.328 16.860 ( 2.253 10.638 2.880) 11.249 17.257 ( 15.026 -24.211 -4.461) 28.841 ======================= Grid point 630 (273/860) ======================= q-point: (-0.16 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -10.231 -28.021 5.651) 30.361 2.306 ( -14.473 -9.421 -10.312) 20.114 3.692 ( -2.876 -54.251 0.344) 54.329 4.777 ( -3.771 -17.561 5.188) 18.695 5.187 ( -7.136 -10.807 11.257) 17.159 6.416 ( -0.293 4.527 -4.868) 6.654 7.047 ( -14.783 -13.032 -13.108) 23.668 8.744 ( -7.181 22.705 6.896) 24.792 14.516 ( -1.576 -11.394 1.339) 11.580 15.846 ( 2.628 -2.811 4.021) 5.565 16.470 ( 1.202 26.474 -4.432) 26.869 17.833 ( 18.286 -15.937 5.418) 24.854 ======================= Grid point 631 (274/860) ======================= q-point: (-0.11 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -14.699 -9.384 -6.883) 18.748 2.626 ( -7.273 -39.253 0.681) 39.927 4.521 ( -1.788 -33.499 4.794) 33.887 5.097 ( -6.309 -25.410 7.407) 27.209 5.460 ( -2.133 -20.080 3.009) 20.416 6.326 ( 1.176 3.787 -3.325) 5.175 7.133 ( -13.467 -15.025 -9.101) 22.134 8.357 ( -7.190 17.333 4.351) 19.263 14.650 ( -1.602 -2.538 1.105) 3.198 15.898 ( 0.295 7.681 5.610) 9.516 16.029 ( 2.354 13.376 -6.068) 14.876 18.113 ( 15.007 1.792 4.855) 15.875 ======================= Grid point 632 (275/860) ======================= q-point: (-0.05 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -13.836 -12.674 -9.586) 21.070 3.318 ( -4.783 -42.004 2.781) 42.366 4.768 ( -4.112 -0.057 7.729) 8.755 5.673 ( -6.578 -32.606 0.266) 33.264 5.932 ( 1.069 -36.652 1.793) 36.711 6.269 ( 2.010 3.255 -0.178) 3.829 7.246 ( -8.984 -9.476 -0.780) 13.081 8.073 ( -7.295 7.835 -1.423) 10.799 14.507 ( -0.698 18.791 -0.202) 18.805 15.672 ( -1.036 7.069 1.538) 7.308 16.024 ( 1.348 -1.552 -0.774) 2.197 18.098 ( 11.148 12.865 3.008) 17.287 ======================= Grid point 647 (276/860) ======================= q-point: (-0.26 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -11.758 0.000 -0.153) 11.759 1.494 ( -17.324 0.000 3.164) 17.611 2.374 ( -13.643 0.000 -7.864) 15.747 4.074 ( 0.384 -0.000 -2.054) 2.090 5.016 ( -19.595 0.000 17.737) 26.430 6.607 ( -0.113 0.000 -5.055) 5.057 6.943 ( -14.723 0.000 -19.327) 24.296 9.963 ( 6.680 -0.000 21.016) 22.052 14.064 ( -1.614 0.000 2.645) 3.099 15.740 ( 3.572 -0.000 4.629) 5.847 16.071 ( -1.285 0.000 -4.178) 4.371 17.348 ( 2.518 -0.000 -10.022) 10.334 ======================= Grid point 648 (277/860) ======================= q-point: (-0.21 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -17.237 -6.854 3.597) 18.895 1.584 ( -9.471 -42.392 -0.605) 43.441 2.265 ( -16.352 -8.242 -7.688) 19.860 4.176 ( 0.264 -11.748 -1.460) 11.841 4.982 ( -16.479 -2.866 21.311) 27.091 6.536 ( -4.895 1.667 -11.337) 12.460 6.771 ( -10.616 -2.364 -15.202) 18.692 9.767 ( -1.284 32.113 15.847) 35.833 14.130 ( -1.474 -7.305 1.831) 7.674 15.780 ( 3.493 -0.379 2.917) 4.567 16.546 ( 8.973 -44.468 5.720) 45.724 17.231 ( 2.949 9.495 -10.875) 14.735 ======================= Grid point 649 (278/860) ======================= q-point: (-0.16 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -13.818 -19.679 2.673) 24.194 1.970 ( -17.635 -11.038 -7.068) 21.972 2.683 ( -6.710 -53.129 -0.605) 53.554 4.451 ( -0.212 -18.324 1.367) 18.376 5.050 ( -11.015 -5.993 21.018) 24.474 6.397 ( -8.101 -1.072 -16.733) 18.621 6.712 ( -7.303 -4.726 -8.035) 11.842 9.173 ( -9.863 31.112 8.062) 33.619 14.298 ( -1.529 -11.600 1.326) 11.775 15.843 ( 3.482 -1.928 2.560) 4.733 16.889 ( 0.737 20.414 -0.888) 20.447 17.566 ( 23.196 -37.471 3.019) 44.173 ======================= Grid point 650 (279/860) ======================= q-point: (-0.11 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -12.129 -27.212 -8.249) 30.914 1.944 ( -16.178 -14.804 1.983) 22.018 3.647 ( -3.025 -56.709 0.624) 56.793 4.797 ( -1.459 -17.740 7.980) 19.507 5.187 ( -6.805 -9.083 11.766) 16.348 6.323 ( -3.138 -3.550 -11.890) 12.799 6.735 ( -9.457 -9.794 -6.839) 15.236 8.652 ( -10.566 21.859 4.456) 24.684 14.502 ( -1.716 -11.308 1.410) 11.524 15.922 ( 2.887 -2.484 2.432) 4.519 16.451 ( 0.801 27.141 -3.016) 27.320 18.205 ( 20.991 -11.308 4.465) 24.257 ======================= Grid point 651 (280/860) ======================= q-point: (-0.05 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -17.676 -11.579 -9.794) 23.291 2.544 ( -5.668 -41.338 3.323) 41.857 4.541 ( -0.320 -38.722 2.751) 38.821 5.064 ( -8.137 -15.366 9.390) 19.761 5.443 ( -1.499 -22.790 0.095) 22.840 6.334 ( 3.257 0.140 -2.239) 3.955 6.865 ( -10.331 -18.128 -5.893) 21.681 8.248 ( -9.407 16.915 1.872) 19.445 14.635 ( -1.646 -2.589 1.355) 3.354 15.951 ( 0.043 18.332 4.590) 18.898 16.013 ( 2.354 3.936 -5.069) 6.836 18.390 ( 14.642 6.672 1.648) 16.175 ======================= Grid point 667 (281/860) ======================= q-point: (-0.21 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -13.949 0.000 2.010) 14.093 1.222 ( -19.052 0.000 2.544) 19.221 2.011 ( -21.650 0.000 -6.881) 22.717 4.061 ( 0.405 -0.000 -2.180) 2.217 4.929 ( -15.741 0.000 25.241) 29.747 6.353 ( -17.210 0.000 -23.652) 29.250 6.689 ( 2.038 -0.000 -7.081) 7.369 10.262 ( 5.465 -0.000 20.836) 21.541 14.060 ( -1.565 0.000 2.071) 2.596 15.838 ( 3.750 -0.000 3.227) 4.947 16.015 ( -1.257 0.000 -3.115) 3.359 17.301 ( 1.562 -0.000 -6.825) 7.001 ======================= Grid point 668 (282/860) ======================= q-point: (-0.16 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -17.786 -9.336 1.909) 20.178 1.415 ( -11.570 -39.651 0.464) 41.307 1.894 ( -21.610 -16.507 -2.891) 27.346 4.173 ( 0.939 -12.608 -1.082) 12.689 4.974 ( -12.220 -4.331 26.700) 29.681 6.109 ( -18.263 -3.328 -26.644) 32.473 6.677 ( 3.225 1.268 -3.618) 5.010 9.819 ( -8.987 46.737 11.324) 48.922 14.121 ( -1.488 -7.083 1.495) 7.390 15.860 ( 3.795 -0.582 1.513) 4.127 16.833 ( 19.509 -66.309 6.780) 69.451 17.185 ( 1.224 11.178 -5.314) 12.437 ======================= Grid point 669 (283/860) ======================= q-point: (-0.11 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -13.077 -23.063 -1.421) 26.551 1.592 ( -21.829 -9.557 -2.268) 23.937 2.583 ( -6.513 -58.960 2.731) 59.382 4.478 ( 1.632 -19.429 1.708) 19.573 5.100 ( -8.655 -4.559 22.933) 24.932 5.976 ( -15.082 -12.263 -24.211) 31.049 6.660 ( 2.003 2.014 -0.993) 3.009 9.021 ( -15.524 31.201 3.972) 35.076 14.285 ( -1.588 -11.462 1.566) 11.677 15.918 ( 3.563 -1.687 0.960) 4.058 16.883 ( 0.656 21.297 -2.251) 21.426 18.050 ( 30.006 -34.843 5.837) 46.352 ======================= Grid point 670 (284/860) ======================= q-point: (-0.05 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -19.427 -12.972 -10.257) 25.513 1.833 ( -8.840 -33.847 6.597) 35.599 3.611 ( -2.835 -58.600 2.029) 58.703 4.865 ( 0.898 -18.591 6.746) 19.798 5.153 ( -8.590 -3.518 5.852) 10.973 6.116 ( -6.199 -21.689 -10.280) 24.790 6.629 ( -0.917 1.007 -1.004) 1.692 8.492 ( -12.007 19.407 1.683) 22.882 14.488 ( -1.699 -11.178 1.706) 11.434 15.980 ( 2.790 -2.016 -0.184) 3.447 16.444 ( 0.473 27.329 -0.550) 27.339 18.576 ( 20.481 -2.900 0.649) 20.696 ======================= Grid point 687 (285/860) ======================= q-point: (-0.16 -0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -16.049 0.000 6.273) 17.232 0.928 ( -20.237 0.000 3.850) 20.600 1.566 ( -27.814 0.000 -0.302) 27.816 4.047 ( 0.543 -0.000 -2.377) 2.438 4.964 ( -11.242 0.000 28.760) 30.879 5.796 ( -18.775 0.000 -29.014) 34.559 6.711 ( 4.643 -0.000 -1.825) 4.989 10.514 ( 4.672 -0.000 14.047) 14.804 14.052 ( -1.379 0.000 1.240) 1.855 15.916 ( 3.572 -0.000 0.387) 3.592 15.974 ( -1.069 0.000 -1.672) 1.985 17.286 ( -0.060 0.000 2.534) 2.535 ======================= Grid point 688 (286/860) ======================= q-point: (-0.11 -0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -17.279 -12.167 1.463) 21.183 1.183 ( -18.145 -22.579 0.489) 28.970 1.575 ( -18.989 -39.337 9.166) 44.632 4.190 ( 2.588 -14.592 -1.293) 14.876 5.070 ( -8.216 -5.007 29.130) 30.678 5.546 ( -17.270 -5.418 -30.066) 35.094 6.730 ( 4.221 2.218 1.908) 5.136 9.646 ( -21.310 60.061 2.499) 63.779 14.112 ( -1.409 -7.067 1.738) 7.413 15.930 ( 3.698 -0.677 0.081) 3.760 17.088 ( 12.619 -17.503 -22.900) 31.465 17.440 ( 25.743 -56.792 29.339) 68.911 ======================= Grid point 689 (287/860) ======================= q-point: (-0.05 -0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -16.305 -17.359 -7.109) 24.854 1.293 ( -17.467 -19.959 9.907) 28.313 2.525 ( -5.634 -61.675 6.230) 62.245 4.527 ( 3.069 -20.273 -0.144) 20.505 5.137 ( -9.337 2.987 8.452) 12.943 5.573 ( -9.499 -23.668 -9.537) 27.228 6.709 ( 3.009 4.705 1.954) 5.917 8.759 ( -17.873 24.811 0.108) 30.578 14.277 ( -1.516 -11.280 2.222) 11.596 15.972 ( 3.025 -1.177 -1.171) 3.451 16.876 ( 0.851 20.149 -1.724) 20.240 18.601 ( 31.505 -19.895 0.254) 37.262 ======================= Grid point 707 (288/860) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -17.295 0.000 13.768) 22.106 0.649 ( -19.936 0.000 7.245) 21.211 1.131 ( -31.670 0.000 13.961) 34.611 4.034 ( 0.785 -0.000 -2.628) 2.743 5.063 ( -8.902 0.000 17.219) 19.384 5.253 ( -13.700 0.000 -19.311) 23.677 6.824 ( 5.425 -0.000 12.159) 13.314 10.610 ( 2.677 -0.000 -15.314) 15.546 14.039 ( -1.075 0.000 0.267) 1.108 15.951 ( -0.740 0.000 -0.032) 0.740 15.960 ( 3.001 -0.000 -2.294) 3.777 17.410 ( 1.751 -0.000 27.992) 28.047 ======================= Grid point 708 (289/860) ======================= q-point: (-0.05 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -16.639 -11.855 2.276) 20.557 0.887 ( -21.353 -15.351 11.764) 28.810 1.448 ( -12.796 -54.523 17.580) 58.698 4.231 ( 4.767 -16.073 -3.763) 17.183 5.006 ( -13.020 -6.875 -31.712) 34.963 5.244 ( -4.237 -5.971 30.111) 30.988 6.869 ( 4.672 7.859 13.880) 16.621 9.159 ( -34.618 52.171 -5.929) 62.891 14.110 ( -1.219 -7.156 2.453) 7.662 15.976 ( 2.745 -0.382 -1.773) 3.290 17.048 ( 7.495 -8.687 -18.960) 22.161 18.296 ( 49.051 -57.207 9.392) 75.940 ======================= Grid point 727 (290/860) ======================= q-point: (-0.05 -0.05 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -18.920 0.000 8.441) 20.718 0.516 ( -14.974 0.000 23.199) 27.612 0.882 ( -26.033 0.000 38.873) 46.785 4.024 ( 1.110 -0.000 -2.907) 3.111 4.677 ( -10.476 0.000 -32.705) 34.342 5.318 ( -2.598 0.000 29.960) 30.072 7.281 ( 28.924 -0.000 37.979) 47.739 9.919 ( -47.788 0.000 -76.566) 90.255 14.022 ( -0.682 0.000 -0.688) 0.969 15.949 ( -0.304 0.000 1.578) 1.607 15.989 ( 2.509 -0.000 -0.825) 2.641 18.019 ( 27.285 -0.000 40.994) 49.244 ======================= Grid point 728 (291/860) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 4.748 -0.000 19.388) 19.961 1.086 ( -7.169 0.000 23.442) 24.514 1.915 ( -9.854 0.000 41.333) 42.492 3.548 ( -4.558 0.000 -33.438) 33.748 3.925 ( 2.556 -0.000 -5.567) 6.126 6.215 ( 3.461 -0.000 26.686) 26.909 7.893 ( -6.535 0.000 -11.554) 13.274 8.426 ( 3.330 -0.000 -6.436) 7.246 13.966 ( -0.348 0.000 -2.049) 2.078 15.957 ( -0.987 0.000 -2.222) 2.431 16.048 ( 0.267 -0.000 4.298) 4.306 18.366 ( -6.458 0.000 3.515) 7.353 ======================= Grid point 729 (292/860) ======================= q-point: ( 0.05 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 10.262 -11.673 19.748) 25.131 1.433 ( -3.323 -22.941 23.115) 32.736 2.202 ( -5.838 -22.545 30.783) 38.600 3.444 ( -1.358 -8.592 -32.038) 33.197 4.094 ( 2.386 -17.540 -7.514) 19.231 6.400 ( 5.205 -3.306 24.609) 25.370 7.434 ( -8.042 27.107 1.758) 28.329 8.389 ( 9.359 7.895 -8.745) 15.046 14.111 ( -0.958 -13.060 -1.637) 13.197 15.826 ( -0.287 3.679 -5.575) 6.686 16.579 ( -0.066 -35.141 -6.493) 35.736 18.301 ( -8.491 1.469 -1.361) 8.724 ======================= Grid point 730 (293/860) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 10.050 -16.007 19.608) 27.234 1.875 ( 0.914 -15.931 25.977) 30.487 2.906 ( -2.480 -46.189 12.467) 47.906 3.519 ( 1.294 -15.685 -29.679) 33.594 4.448 ( 1.593 -23.512 -6.734) 24.509 6.634 ( 5.615 -5.178 20.294) 21.683 7.015 ( -2.620 16.621 5.714) 17.770 8.238 ( 7.112 11.484 -9.031) 16.249 14.330 ( -1.624 -12.719 0.787) 12.847 15.740 ( -0.255 2.302 -8.011) 8.339 16.938 ( -0.264 -5.683 1.252) 5.826 18.174 ( -8.145 0.422 -14.023) 16.222 ======================= Grid point 731 (294/860) ======================= q-point: ( 0.16 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 8.104 -16.834 16.977) 25.244 2.302 ( 2.839 -18.978 20.513) 28.089 3.668 ( -1.700 -24.757 -17.941) 30.621 3.855 ( 5.061 -44.634 -3.621) 45.065 4.864 ( 0.963 -24.659 -4.117) 25.019 6.680 ( -1.862 8.694 4.727) 10.070 6.999 ( 7.199 -5.957 16.363) 18.843 8.033 ( 6.448 12.527 -9.208) 16.831 14.526 ( -1.629 -9.919 1.579) 10.175 15.671 ( -0.126 0.801 -8.145) 8.185 16.824 ( -1.303 18.946 10.880) 21.886 18.033 ( -6.369 -0.081 -21.407) 22.334 ======================= Grid point 732 (295/860) ======================= q-point: ( 0.21 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 6.246 -14.676 12.092) 20.015 2.793 ( 1.328 -26.438 11.578) 28.892 3.944 ( 4.331 -17.474 -14.720) 23.255 4.732 ( 3.620 -47.738 -4.554) 48.091 5.283 ( 1.023 -22.907 -0.328) 22.932 6.544 ( -2.311 5.516 3.250) 6.807 7.223 ( 9.335 0.070 11.525) 14.831 7.869 ( 5.213 3.947 -7.575) 10.007 14.658 ( -1.199 -5.140 2.140) 5.695 15.639 ( 0.068 -0.629 -6.003) 6.036 16.427 ( -2.140 27.415 9.069) 28.955 17.853 ( -4.757 4.948 -19.462) 20.637 ======================= Grid point 733 (296/860) ======================= q-point: ( 0.26 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 2.277 -12.846 5.159) 14.029 3.363 ( 0.693 -32.451 4.504) 32.769 4.226 ( 7.285 -14.065 -5.084) 16.636 5.445 ( 2.758 -28.735 -10.564) 30.739 5.732 ( 4.544 -27.189 4.415) 27.917 6.506 ( -2.573 -2.807 3.888) 5.442 7.171 ( 9.227 15.275 1.594) 17.917 7.982 ( 3.798 -12.714 -1.425) 13.346 14.697 ( -1.192 2.595 5.936) 6.587 15.592 ( -0.312 7.382 -0.162) 7.390 16.016 ( -1.256 14.157 -2.048) 14.359 17.590 ( -3.781 11.694 -15.224) 19.566 ======================= Grid point 734 (297/860) ======================= q-point: ( 0.32 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -1.945 -13.628 -0.990) 13.801 3.972 ( 1.286 -33.321 1.395) 33.375 4.501 ( 7.786 -11.028 0.499) 13.509 5.726 ( 2.524 -8.606 -4.819) 10.181 6.157 ( 8.991 -4.724 0.872) 10.194 6.735 ( -0.803 -22.604 2.219) 22.727 7.008 ( 4.328 3.327 -0.594) 5.491 8.260 ( 2.731 -14.659 -0.887) 14.938 14.534 ( -2.927 20.660 12.335) 24.239 15.397 ( 0.171 7.177 -2.034) 7.461 15.961 ( 0.727 -6.212 -6.663) 9.139 17.244 ( -3.144 16.760 -11.818) 20.747 ======================= Grid point 735 (298/860) ======================= q-point: ( 0.37 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( -4.794 -15.292 -4.015) 16.521 4.510 ( 3.812 -19.034 2.420) 19.562 4.761 ( 3.009 -17.135 -3.145) 17.679 5.810 ( 4.117 -0.523 -0.847) 4.235 6.126 ( 11.615 13.608 4.756) 18.512 6.918 ( -0.871 -5.793 0.501) 5.880 7.407 ( 1.185 -33.018 -0.872) 33.051 8.505 ( 1.192 -11.573 -2.334) 11.866 14.073 ( -3.823 31.248 10.221) 33.098 15.396 ( 0.942 -5.503 -0.966) 5.666 16.084 ( 1.625 -7.978 -3.899) 9.027 16.862 ( -2.647 16.973 -9.933) 19.843 ======================= Grid point 736 (299/860) ======================= q-point: ( 0.42 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( -5.860 -16.014 -3.694) 17.448 4.587 ( 1.529 7.853 -8.261) 11.500 5.182 ( -0.012 -24.955 -1.421) 24.995 5.841 ( 4.799 0.517 1.788) 5.147 6.062 ( 12.499 7.200 13.896) 20.029 7.026 ( -2.619 -6.437 1.014) 7.022 7.941 ( 1.394 -25.247 -1.892) 25.357 8.656 ( -0.475 -6.751 -4.021) 7.872 13.549 ( -3.216 27.419 5.912) 28.233 15.539 ( 0.371 -8.643 1.902) 8.857 16.166 ( 1.494 2.313 0.087) 2.755 16.587 ( -1.228 3.319 -9.416) 10.059 ======================= Grid point 737 (300/860) ======================= q-point: ( 0.47 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( -4.414 -13.193 -0.423) 13.918 4.283 ( -3.894 15.902 -16.726) 23.405 5.521 ( -0.100 -11.735 2.693) 12.041 5.885 ( 1.895 -2.204 -0.800) 3.015 6.230 ( 12.025 -4.402 20.971) 24.572 7.083 ( -2.702 -1.605 0.798) 3.243 8.263 ( 0.803 -10.380 -2.160) 10.633 8.694 ( -2.001 -1.182 -5.623) 6.085 13.155 ( -2.132 15.990 3.140) 16.434 15.693 ( -0.619 -6.844 3.166) 7.566 16.032 ( -0.456 8.702 -1.127) 8.786 16.657 ( 2.118 -10.906 -4.836) 12.116 ======================= Grid point 738 (301/860) ======================= q-point: (-0.47 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.578 ( 1.669 12.765 -0.347) 12.878 3.983 ( -12.398 -6.658 -14.655) 20.318 5.592 ( -1.524 4.355 3.316) 5.682 5.957 ( 1.772 -4.015 -0.054) 4.389 6.538 ( 6.927 -9.133 19.624) 22.726 7.044 ( -1.728 3.816 0.411) 4.210 8.281 ( -0.009 7.698 -2.154) 7.994 8.613 ( -3.268 4.601 -6.998) 8.990 13.009 ( -1.073 0.051 2.262) 2.504 15.788 ( -1.555 -3.036 4.716) 5.820 15.920 ( -1.005 1.855 -3.712) 4.270 16.889 ( 4.189 -13.612 -2.483) 14.456 ======================= Grid point 739 (302/860) ======================= q-point: (-0.42 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( -2.923 23.483 -7.741) 24.898 4.116 ( -9.837 -16.786 -2.497) 19.615 5.386 ( -3.240 17.989 1.927) 18.379 6.033 ( 2.080 -2.786 -0.016) 3.477 6.733 ( -1.320 3.870 11.102) 11.831 7.021 ( 2.000 -5.458 5.738) 8.168 7.980 ( -0.639 24.380 -1.896) 24.462 8.416 ( -4.371 10.082 -8.072) 13.635 13.157 ( -0.326 -15.737 2.911) 16.007 15.821 ( -2.341 0.316 2.270) 3.276 15.902 ( -0.802 -2.600 -2.165) 3.478 17.174 ( 5.834 -15.422 -3.208) 16.798 ======================= Grid point 740 (303/860) ======================= q-point: (-0.37 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -6.805 20.883 -6.986) 23.048 4.296 ( -7.371 -8.740 2.564) 11.718 4.953 ( -5.105 24.803 -0.283) 25.324 6.096 ( 2.570 -2.544 -1.320) 3.849 6.541 ( -2.859 16.224 4.353) 17.039 7.258 ( -0.429 -11.793 9.193) 14.959 7.425 ( -1.067 35.083 -0.546) 35.103 8.115 ( -5.674 14.458 -9.096) 17.998 13.558 ( 0.026 -26.722 4.167) 27.045 15.759 ( -2.449 3.551 -2.120) 4.807 15.959 ( -0.291 -3.350 1.012) 3.511 17.495 ( 7.172 -17.112 -5.500) 19.353 ======================= Grid point 741 (304/860) ======================= q-point: (-0.32 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -9.643 17.833 -4.392) 20.743 4.066 ( -4.156 33.265 3.796) 33.737 4.705 ( -8.189 -5.953 -0.751) 10.151 6.115 ( 1.508 8.869 -1.417) 9.107 6.207 ( -1.747 15.372 -0.375) 15.476 6.733 ( -0.695 37.956 2.239) 38.028 7.479 ( -1.260 -1.129 11.245) 11.372 7.772 ( -9.228 6.289 -11.912) 16.328 14.091 ( -0.105 -29.505 4.961) 29.920 15.665 ( -2.078 2.858 -1.919) 4.021 16.003 ( 0.654 -1.142 -0.427) 1.383 17.835 ( 8.408 -17.422 -8.030) 20.945 ======================= Grid point 742 (305/860) ======================= q-point: (-0.26 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -11.322 15.732 -0.925) 19.405 3.352 ( -4.637 41.800 3.902) 42.237 4.777 ( -7.327 -6.172 -1.395) 9.681 5.605 ( -5.197 37.967 1.109) 38.337 5.886 ( 1.163 27.826 -5.066) 28.307 6.392 ( 2.769 2.432 4.093) 5.508 7.180 ( -3.930 25.479 2.696) 25.921 7.850 ( -9.275 -17.349 -2.836) 19.876 14.551 ( -1.007 -17.292 4.020) 17.781 15.669 ( -0.927 -7.410 -0.559) 7.489 16.016 ( 1.543 -0.608 -1.208) 2.052 18.159 ( 9.859 -15.284 -10.688) 21.095 ======================= Grid point 743 (306/860) ======================= q-point: (-0.21 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -11.256 14.981 3.409) 19.046 2.615 ( -5.948 38.513 7.379) 39.663 4.583 ( -0.567 36.363 -0.221) 36.368 4.964 ( -13.021 11.503 -5.429) 18.203 5.378 ( 0.684 27.799 -2.604) 27.929 6.456 ( 5.863 0.176 3.550) 6.856 6.714 ( -6.047 21.447 5.499) 22.951 8.071 ( -9.466 -17.163 -2.652) 19.779 14.668 ( -1.858 2.699 2.707) 4.250 15.844 ( 1.156 -7.050 -6.360) 9.565 16.145 ( 1.091 -16.407 6.171) 17.563 18.422 ( 11.564 -10.679 -14.077) 21.117 ======================= Grid point 744 (307/860) ======================= q-point: (-0.16 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -8.994 14.819 8.996) 19.530 1.997 ( -8.320 29.666 14.031) 33.856 3.717 ( -2.294 54.275 6.508) 54.712 4.683 ( -13.615 9.501 -19.904) 25.920 4.921 ( 2.231 22.785 -3.435) 23.150 6.273 ( -0.358 20.292 18.327) 27.345 6.661 ( 1.356 -8.781 1.904) 9.086 8.266 ( -10.020 -15.474 -3.906) 18.844 14.539 ( -1.862 10.053 3.254) 10.730 15.870 ( 2.149 -0.954 -8.362) 8.686 16.571 ( 0.700 -22.227 7.265) 23.395 18.577 ( 12.891 -3.669 -18.720) 23.024 ======================= Grid point 745 (308/860) ======================= q-point: (-0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -5.628 13.479 14.959) 20.908 1.576 ( -10.157 19.295 22.499) 31.331 2.777 ( -5.250 52.259 14.180) 54.403 4.240 ( -10.574 14.710 -25.407) 31.204 4.530 ( 1.588 21.064 -9.763) 23.271 6.098 ( -0.307 10.746 25.619) 27.784 6.921 ( 2.811 -17.753 6.277) 19.039 8.408 ( -11.333 -12.599 -5.568) 17.838 14.347 ( -1.599 11.358 2.995) 11.854 15.866 ( 2.053 -1.075 -7.921) 8.253 16.882 ( 2.064 -5.769 0.569) 6.153 18.568 ( 10.965 5.227 -21.629) 24.806 ======================= Grid point 746 (309/860) ======================= q-point: (-0.05 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -2.357 10.714 18.056) 21.128 1.300 ( -7.972 19.428 24.444) 32.226 2.045 ( -9.946 29.446 30.633) 43.639 3.819 ( -8.121 8.264 -30.346) 32.483 4.132 ( 2.251 18.756 -9.591) 21.186 6.102 ( 1.363 4.075 27.423) 27.757 7.448 ( 4.943 -34.579 5.600) 35.376 8.461 ( -12.950 -7.616 -7.168) 16.646 14.138 ( -0.989 12.053 -0.665) 12.112 15.872 ( 1.318 -2.130 -6.062) 6.559 16.634 ( 3.307 35.734 -10.505) 37.393 18.427 ( 0.998 4.948 -8.336) 9.745 ======================= Grid point 748 (310/860) ======================= q-point: ( 0.05 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 14.608 -0.000 19.870) 24.661 1.206 ( -4.106 0.000 21.492) 21.881 2.178 ( -3.371 0.000 38.193) 38.341 3.226 ( 3.311 -0.000 -33.053) 33.218 3.917 ( 3.012 -0.000 -5.701) 6.448 6.534 ( 6.933 -0.000 22.689) 23.725 7.594 ( -14.866 0.000 -2.009) 15.001 8.564 ( 18.602 -0.000 -17.500) 25.540 13.946 ( 0.145 -0.000 -1.933) 1.939 15.897 ( -3.674 0.000 -2.039) 4.202 16.096 ( 0.708 -0.000 4.195) 4.255 18.277 ( -9.769 0.000 7.861) 12.539 ======================= Grid point 749 (311/860) ======================= q-point: ( 0.11 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 9.353 -9.782 21.103) 25.070 1.621 ( 2.459 -28.092 19.180) 34.104 2.432 ( -0.325 -13.578 29.354) 32.344 3.191 ( 7.340 -8.468 -31.603) 33.531 4.069 ( 2.626 -16.094 -6.527) 17.565 6.715 ( 7.350 -2.394 19.172) 20.672 7.313 ( -8.173 16.442 3.301) 18.656 8.486 ( 14.199 12.236 -14.541) 23.723 14.080 ( -0.681 -12.984 -1.819) 13.129 15.760 ( -1.813 4.751 -4.694) 6.921 16.520 ( -1.619 -32.048 -2.722) 32.204 18.167 ( -9.643 7.158 4.994) 13.006 ======================= Grid point 750 (312/860) ======================= q-point: ( 0.16 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 4.010 -13.667 19.817) 24.405 2.182 ( 7.165 -16.685 22.768) 29.122 2.965 ( -2.762 -37.028 6.779) 37.744 3.371 ( 13.558 -18.150 -23.456) 32.610 4.418 ( 1.824 -23.500 -5.595) 24.226 6.837 ( -0.223 5.577 7.863) 9.642 7.088 ( 3.917 3.680 12.705) 13.795 8.293 ( 10.765 13.982 -10.818) 20.698 14.308 ( -1.474 -13.426 0.038) 13.506 15.658 ( -1.134 2.468 -6.960) 7.472 16.931 ( -1.775 -13.203 0.727) 13.342 17.935 ( -9.401 8.546 -5.770) 13.954 ======================= Grid point 751 (313/860) ======================= q-point: ( 0.21 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 1.702 -16.292 13.975) 21.532 2.551 ( 4.186 -11.895 14.979) 19.580 3.558 ( 6.066 -27.397 -10.865) 30.091 3.934 ( 9.718 -40.874 -4.628) 42.268 4.851 ( 1.526 -25.683 -2.643) 25.864 6.667 ( -3.694 9.191 2.761) 10.283 7.286 ( 9.189 -7.017 14.125) 18.254 8.069 ( 9.084 14.996 -9.643) 20.009 14.513 ( -1.412 -10.510 1.078) 10.659 15.595 ( -0.548 0.056 -7.003) 7.024 16.899 ( -2.273 17.873 11.456) 21.351 17.729 ( -7.959 -0.359 -17.816) 19.516 ======================= Grid point 752 (314/860) ======================= q-point: ( 0.26 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 0.687 -12.708 4.586) 13.528 2.899 ( 0.007 -22.127 6.592) 23.088 4.010 ( 13.825 -18.430 -2.103) 23.135 4.745 ( 4.973 -44.202 -7.368) 45.087 5.318 ( 2.330 -25.799 1.907) 25.974 6.525 ( -3.345 4.657 2.407) 6.219 7.514 ( 12.325 3.117 11.778) 17.330 7.868 ( 4.766 4.381 -10.107) 12.002 14.660 ( -0.803 -6.349 1.980) 6.699 15.586 ( -0.011 -2.433 -5.244) 5.781 16.464 ( -3.384 30.723 8.185) 31.974 17.600 ( -5.715 1.662 -15.768) 16.854 ======================= Grid point 753 (315/860) ======================= q-point: ( 0.32 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -2.144 -10.253 -3.065) 10.914 3.403 ( -0.014 -31.445 2.856) 31.574 4.403 ( 14.511 -11.979 3.796) 19.195 5.407 ( 3.653 -28.438 -8.629) 29.942 5.852 ( 5.062 -29.970 3.815) 30.633 6.489 ( -3.469 -3.543 2.934) 5.762 7.367 ( 12.061 22.153 2.118) 25.312 8.011 ( 2.474 -14.619 -2.947) 15.117 14.733 ( -0.801 0.312 5.263) 5.333 15.589 ( -0.184 4.908 0.436) 4.931 15.962 ( -2.266 18.218 -3.375) 18.666 17.400 ( -4.321 9.455 -10.944) 15.095 ======================= Grid point 754 (316/860) ======================= q-point: ( 0.37 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -4.465 -12.059 -6.224) 14.286 4.004 ( 1.003 -34.216 1.285) 34.255 4.685 ( 12.090 -5.100 3.575) 13.600 5.739 ( 3.604 -10.567 -3.342) 11.655 6.316 ( 7.488 -9.202 2.522) 12.129 6.738 ( -1.469 -26.075 2.116) 26.202 7.104 ( 7.436 12.961 1.123) 14.985 8.275 ( 1.519 -13.986 -3.237) 14.436 14.588 ( -3.299 21.214 9.865) 23.627 15.387 ( 0.422 7.288 -1.115) 7.384 15.907 ( 0.699 -8.571 -6.939) 11.050 17.100 ( -3.356 15.687 -7.470) 17.696 ======================= Grid point 755 (317/860) ======================= q-point: ( 0.42 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -5.987 -14.963 -6.630) 17.426 4.603 ( 3.770 -26.649 2.908) 27.071 4.792 ( 5.924 -0.554 -3.684) 6.998 5.856 ( 2.873 -2.147 -1.171) 3.773 6.419 ( 13.448 7.697 10.782) 18.877 6.907 ( -1.023 -1.808 1.132) 2.366 7.419 ( 1.351 -32.452 -1.022) 32.496 8.481 ( 0.080 -10.444 -4.749) 11.474 14.087 ( -4.215 32.226 6.740) 33.192 15.411 ( 1.394 -6.384 -0.015) 6.535 16.073 ( 1.593 -10.623 -3.784) 11.389 16.746 ( -2.627 17.070 -5.514) 18.130 ======================= Grid point 756 (318/860) ======================= q-point: ( 0.47 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -6.912 -17.598 -5.446) 19.675 4.566 ( 5.223 18.776 -7.930) 21.041 5.187 ( 0.539 -26.216 1.762) 26.280 5.884 ( 2.072 0.035 -0.943) 2.276 6.461 ( 14.737 6.491 18.527) 24.547 6.982 ( -3.623 -6.536 0.690) 7.504 7.943 ( 1.025 -24.743 -2.084) 24.852 8.594 ( -1.147 -5.601 -6.049) 8.324 13.540 ( -3.371 27.323 3.692) 27.777 15.563 ( 0.644 -8.408 1.344) 8.539 16.187 ( 1.044 3.511 -0.049) 3.663 16.502 ( -0.697 -0.057 -5.236) 5.282 ======================= Grid point 757 (319/860) ======================= q-point: (-0.47 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( -7.191 -19.151 -3.245) 20.712 4.139 ( 1.810 26.306 -10.793) 28.491 5.552 ( -0.025 -11.432 3.746) 12.030 5.906 ( 2.148 -2.156 -1.028) 3.212 6.609 ( 10.441 -0.803 19.119) 21.799 7.040 ( -3.257 -2.312 0.626) 4.043 8.250 ( 0.175 -9.834 -2.510) 10.151 8.602 ( -1.785 -0.001 -6.710) 6.943 13.147 ( -2.186 15.255 2.626) 15.633 15.705 ( -0.510 -6.464 1.401) 6.634 16.013 ( -0.709 10.117 -0.591) 10.159 16.661 ( 2.487 -13.596 -2.688) 14.081 ======================= Grid point 758 (320/860) ======================= q-point: (-0.42 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( 2.002 25.590 -4.062) 25.987 3.691 ( -9.998 -17.157 -6.270) 20.824 5.596 ( -1.477 6.347 2.603) 7.017 5.992 ( 2.467 -4.151 -0.233) 4.835 6.795 ( 3.874 -2.632 14.856) 15.576 7.022 ( -1.574 1.160 1.214) 2.302 8.254 ( -0.574 7.820 -2.691) 8.290 8.501 ( -2.029 6.245 -6.521) 9.254 13.017 ( -1.110 -0.924 3.321) 3.622 15.786 ( -1.617 -2.783 -0.276) 3.230 15.888 ( -0.695 2.704 0.486) 2.834 16.930 ( 4.037 -14.991 -3.216) 15.855 ======================= Grid point 759 (321/860) ======================= q-point: (-0.37 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( -2.300 27.134 -5.340) 27.750 3.964 ( -7.729 -18.925 0.414) 20.447 5.352 ( -2.607 20.208 0.811) 20.391 6.063 ( 2.121 -2.455 -1.280) 3.488 6.780 ( -2.057 10.051 5.875) 11.823 7.100 ( -0.326 -8.386 5.360) 9.958 7.949 ( -0.578 24.208 -2.248) 24.319 8.291 ( -2.326 12.217 -5.547) 13.617 13.189 ( -0.385 -16.498 5.077) 17.266 15.763 ( -1.942 1.170 -5.042) 5.528 15.910 ( -0.724 -2.842 4.477) 5.352 17.222 ( 5.275 -16.250 -6.011) 18.111 ======================= Grid point 760 (322/860) ======================= q-point: (-0.32 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -4.269 24.077 -1.595) 24.504 4.203 ( -6.878 -12.331 2.739) 14.383 4.872 ( -3.684 28.731 -1.497) 29.005 6.113 ( 1.973 -2.513 -3.374) 4.646 6.536 ( -2.584 17.437 3.974) 18.069 7.286 ( -4.007 -11.911 1.585) 12.667 7.401 ( -0.676 34.833 -1.151) 34.858 7.985 ( -1.924 18.014 -2.763) 18.326 13.608 ( -0.115 -26.841 6.802) 27.689 15.686 ( -2.051 2.712 -5.060) 6.096 15.977 ( -0.128 -2.501 2.998) 3.906 17.536 ( 6.174 -18.011 -9.222) 21.156 ======================= Grid point 761 (323/860) ======================= q-point: (-0.26 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -5.110 20.913 2.824) 21.713 4.032 ( -3.846 33.546 2.975) 33.897 4.565 ( -6.604 -5.780 -2.490) 9.122 6.114 ( 1.869 9.508 -5.141) 10.969 6.168 ( -3.016 18.400 0.407) 18.650 6.751 ( -0.165 34.035 2.996) 34.167 7.462 ( -10.074 -11.415 -10.120) 18.281 7.624 ( 1.853 19.424 8.452) 21.264 14.145 ( -0.403 -28.390 7.302) 29.317 15.609 ( -1.696 1.010 -3.344) 3.883 16.013 ( 0.751 -0.576 -0.075) 0.949 17.867 ( 6.780 -18.692 -11.892) 23.168 ======================= Grid point 762 (324/860) ======================= q-point: (-0.21 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -4.261 18.414 7.754) 20.429 3.317 ( -3.781 41.462 3.559) 41.786 4.630 ( -6.435 -5.746 -5.134) 10.039 5.550 ( -2.681 41.183 0.705) 41.276 5.841 ( -0.095 24.953 -6.531) 25.794 6.463 ( 1.158 2.091 3.885) 4.562 7.142 ( -3.789 23.101 0.879) 23.426 7.714 ( -4.565 -13.585 0.090) 14.332 14.575 ( -1.303 -14.696 5.004) 15.579 15.649 ( -0.682 -8.946 -0.851) 9.012 16.029 ( 1.372 -2.158 -0.993) 2.743 18.180 ( 7.144 -16.804 -14.625) 23.395 ======================= Grid point 763 (325/860) ======================= q-point: (-0.16 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -1.415 16.865 12.938) 21.303 2.602 ( -4.447 37.682 8.172) 38.814 4.530 ( -2.472 15.319 -9.735) 18.318 4.741 ( -7.237 38.405 -1.929) 39.128 5.360 ( 0.305 25.754 -3.452) 25.987 6.539 ( 0.995 -6.242 1.364) 6.467 6.731 ( -1.106 22.824 10.877) 25.308 7.919 ( -5.087 -14.627 -3.496) 15.876 14.664 ( -1.809 3.065 2.799) 4.528 15.800 ( 0.826 -5.336 -6.542) 8.483 16.221 ( 0.682 -19.139 7.073) 20.415 18.421 ( 6.903 -12.072 -18.455) 23.108 ======================= Grid point 764 (326/860) ======================= q-point: (-0.11 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 2.820 15.989 17.445) 23.832 2.025 ( -5.527 28.519 16.194) 33.258 3.747 ( -1.388 53.740 6.192) 54.113 4.291 ( -9.156 13.413 -23.636) 28.678 4.915 ( 1.543 23.739 -4.484) 24.208 6.446 ( -0.064 15.602 19.317) 24.831 6.710 ( 1.756 -10.373 3.091) 10.965 8.105 ( -4.075 -12.823 -5.347) 14.478 14.539 ( -1.778 9.683 2.976) 10.284 15.817 ( 1.295 -1.474 -8.965) 9.177 16.654 ( 0.290 -21.004 8.733) 22.749 18.523 ( 4.803 -4.381 -23.242) 24.134 ======================= Grid point 765 (327/860) ======================= q-point: (-0.05 0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 6.577 15.728 19.353) 25.791 1.674 ( -5.295 17.692 25.261) 31.292 2.834 ( -3.855 50.167 13.833) 52.182 3.837 ( -5.944 15.142 -29.299) 33.512 4.487 ( 1.948 23.105 -7.544) 24.383 6.352 ( 2.802 8.349 24.219) 25.771 6.996 ( -0.540 -19.970 5.457) 20.710 8.252 ( -0.892 -9.320 -6.455) 11.372 14.344 ( -1.620 11.899 1.948) 12.165 15.813 ( 0.865 -1.835 -8.409) 8.650 16.918 ( 1.108 -0.937 1.279) 1.934 18.431 ( -1.559 3.256 -21.372) 21.675 ======================= Grid point 768 (328/860) ======================= q-point: ( 0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -1.910 0.000 18.607) 18.705 1.535 ( 11.502 -0.000 21.306) 24.212 2.515 ( 2.817 -0.000 33.022) 33.142 3.055 ( 14.191 -0.000 -31.303) 34.370 3.917 ( 3.442 -0.000 -5.700) 6.659 6.836 ( 7.028 -0.000 15.213) 16.758 7.403 ( -9.066 0.000 2.717) 9.464 8.661 ( 15.851 -0.000 -20.589) 25.984 13.935 ( 0.584 -0.000 -1.558) 1.664 15.807 ( -5.028 0.000 -1.591) 5.274 16.147 ( 1.092 -0.000 3.624) 3.785 18.205 ( -9.174 0.000 9.659) 13.321 ======================= Grid point 769 (329/860) ======================= q-point: ( 0.16 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 1.128 -15.190 20.174) 25.279 1.863 ( 5.025 -24.194 16.539) 29.735 2.685 ( -0.327 -3.710 17.350) 17.745 3.169 ( 24.308 -9.755 -19.787) 32.826 4.059 ( 3.102 -14.999 -5.725) 16.352 6.937 ( 1.665 1.296 8.152) 8.421 7.269 ( -1.578 8.039 6.692) 10.579 8.576 ( 14.142 11.640 -14.444) 23.326 14.057 ( -0.243 -12.111 -1.403) 12.194 15.682 ( -2.916 4.965 -3.631) 6.807 16.479 ( -1.681 -27.325 -0.418) 27.380 18.077 ( -8.745 10.850 7.317) 15.740 ======================= Grid point 770 (330/860) ======================= q-point: ( 0.21 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.135 -10.653 18.754) 21.569 2.452 ( 3.580 -17.223 13.202) 21.994 2.929 ( -2.107 -30.411 -2.957) 30.627 3.579 ( 27.492 -17.459 -6.055) 33.125 4.408 ( 2.695 -23.556 -4.088) 24.060 6.817 ( -5.614 9.998 2.181) 11.672 7.304 ( 6.811 -3.674 8.459) 11.465 8.397 ( 13.013 15.166 -7.595) 21.378 14.286 ( -1.135 -13.741 -0.070) 13.788 15.577 ( -1.645 2.363 -5.471) 6.183 16.895 ( -2.921 -18.937 0.006) 19.161 17.763 ( -8.539 17.377 -0.033) 19.361 ======================= Grid point 771 (331/860) ======================= q-point: ( 0.26 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -0.555 -12.813 10.285) 16.440 2.654 ( -1.014 -8.587 2.722) 9.065 3.644 ( 6.307 -40.098 2.474) 40.667 4.129 ( 20.626 -24.912 -4.353) 32.634 4.872 ( 3.312 -26.925 -0.545) 27.134 6.614 ( -5.071 7.936 1.251) 9.501 7.509 ( 5.950 -9.471 4.438) 12.033 8.177 ( 12.566 18.824 -3.574) 22.913 14.502 ( -1.054 -11.200 0.963) 11.291 15.526 ( -0.719 -0.704 -5.468) 5.560 16.962 ( -3.259 16.873 11.467) 20.659 17.449 ( -7.830 0.962 -14.458) 16.470 ======================= Grid point 772 (332/860) ======================= q-point: ( 0.32 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -1.459 -8.258 -2.442) 8.734 2.925 ( -1.869 -22.776 4.010) 23.202 4.314 ( 17.101 -20.250 8.677) 27.889 4.768 ( 7.564 -37.399 -8.641) 39.122 5.395 ( 4.363 -27.865 3.203) 28.385 6.478 ( -4.346 3.490 0.882) 5.643 7.761 ( 3.483 -13.263 -0.707) 13.731 7.901 ( 12.694 22.956 0.034) 26.232 14.669 ( -0.362 -7.560 1.849) 7.791 15.542 ( 0.023 -3.953 -4.087) 5.686 16.465 ( -4.553 34.016 5.736) 34.796 17.384 ( -5.378 -1.287 -10.514) 11.879 ======================= Grid point 773 (333/860) ======================= q-point: ( 0.37 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -3.094 -8.120 -7.014) 11.167 3.424 ( -0.621 -31.698 3.188) 31.864 4.734 ( 17.961 -7.354 8.157) 21.052 5.404 ( 4.512 -29.798 -6.347) 30.799 5.962 ( 4.572 -30.406 2.831) 30.878 6.446 ( -4.252 -4.551 1.488) 6.403 7.576 ( 10.955 24.003 0.448) 26.389 8.023 ( 2.477 -13.624 -2.047) 13.998 14.766 ( -0.456 -0.964 3.969) 4.110 15.595 ( 0.005 1.846 1.162) 2.181 15.882 ( -2.922 21.649 -4.326) 22.269 17.251 ( -4.077 7.728 -6.047) 10.626 ======================= Grid point 774 (334/860) ======================= q-point: ( 0.42 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -4.202 -10.782 -7.245) 13.653 4.032 ( 0.459 -35.022 2.489) 35.114 4.944 ( 14.499 2.322 4.116) 15.250 5.775 ( 3.934 -10.908 -2.367) 11.835 6.429 ( 3.890 -13.776 1.754) 14.422 6.726 ( -2.080 -30.308 1.690) 30.427 7.270 ( 9.646 19.123 3.885) 21.767 8.253 ( 0.523 -12.600 -4.818) 13.500 14.606 ( -3.559 23.059 5.599) 23.995 15.391 ( 0.726 6.191 -0.075) 6.234 15.862 ( 0.839 -10.807 -5.014) 11.943 16.997 ( -3.069 14.797 -3.225) 15.452 ======================= Grid point 775 (335/860) ======================= q-point: ( 0.47 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -5.041 -14.029 -6.095) 16.105 4.665 ( 0.744 -33.616 2.774) 33.739 4.907 ( 10.529 14.317 -1.587) 17.842 5.889 ( 2.759 -1.736 -1.496) 3.586 6.680 ( 5.056 -9.094 6.112) 12.067 6.957 ( 5.044 9.664 8.065) 13.560 7.430 ( 1.237 -30.293 -1.337) 30.347 8.423 ( -0.686 -9.502 -6.350) 11.449 14.062 ( -4.218 32.392 2.802) 32.785 15.439 ( 1.678 -6.545 0.441) 6.771 16.070 ( 1.516 -12.444 -2.107) 12.712 16.673 ( -2.266 17.023 -1.450) 17.234 ======================= Grid point 776 (336/860) ======================= q-point: ( 0.53 0.11 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( -5.729 -17.056 -4.440) 18.532 4.600 ( 6.519 24.797 -5.976) 26.327 5.231 ( 1.138 -25.969 4.371) 26.359 5.910 ( 2.502 0.306 -1.266) 2.821 6.849 ( 11.994 5.636 15.696) 20.542 6.924 ( -4.264 -5.478 1.491) 7.100 7.933 ( 0.223 -24.242 -2.309) 24.353 8.516 ( -0.864 -5.098 -6.586) 8.374 13.509 ( -3.281 26.366 1.539) 26.614 15.583 ( 0.808 -7.529 0.363) 7.581 16.198 ( 0.448 5.846 -0.090) 5.864 16.469 ( 0.074 -3.663 -0.732) 3.736 ======================= Grid point 777 (337/860) ======================= q-point: (-0.42 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( -6.247 -19.166 -2.660) 20.333 4.121 ( 4.452 30.376 -5.235) 31.143 5.585 ( -0.425 -9.587 3.887) 10.354 5.938 ( 2.946 -2.754 -1.104) 4.181 6.895 ( 4.820 2.813 12.425) 13.621 6.998 ( -2.155 -2.851 1.598) 3.914 8.222 ( -0.411 -9.165 -2.423) 9.489 8.527 ( -0.054 0.336 -5.363) 5.374 13.133 ( -2.152 13.716 2.149) 14.049 15.702 ( -0.423 -5.357 -0.376) 5.387 16.002 ( -0.601 10.392 0.600) 10.427 16.684 ( 2.434 -14.433 -1.262) 14.691 ======================= Grid point 778 (338/860) ======================= q-point: (-0.37 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( -4.272 2.079 -3.480) 5.889 3.634 ( 0.741 9.356 0.690) 9.411 5.591 ( -1.546 7.921 1.676) 8.243 6.027 ( 2.450 -3.434 -1.309) 4.417 6.914 ( -1.288 3.694 6.369) 7.475 7.017 ( -1.534 -1.987 1.381) 2.865 8.221 ( -0.177 7.744 -1.872) 7.969 8.442 ( 0.562 7.462 -3.193) 8.135 13.034 ( -1.176 -2.592 4.288) 5.146 15.740 ( -1.377 -0.169 -3.282) 3.563 15.900 ( -0.399 1.063 3.230) 3.424 16.957 ( 3.460 -14.994 -4.376) 15.998 ======================= Grid point 779 (339/860) ======================= q-point: (-0.32 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 0.866 29.278 1.225) 29.316 3.869 ( -5.282 -18.438 1.995) 19.283 5.315 ( -2.174 21.916 -0.401) 22.027 6.072 ( 1.419 -1.705 -3.171) 3.870 6.785 ( -2.947 10.926 3.376) 11.809 7.071 ( -4.553 -6.770 -2.900) 8.659 7.928 ( 0.251 24.278 -1.477) 24.324 8.258 ( 1.362 13.081 0.574) 13.164 13.238 ( -0.567 -17.694 7.077) 19.066 15.684 ( -1.536 1.974 -5.556) 6.093 15.945 ( -0.363 -2.852 4.699) 5.509 17.231 ( 4.211 -16.208 -8.817) 18.926 ======================= Grid point 780 (340/860) ======================= q-point: (-0.26 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 0.756 26.426 5.997) 27.109 4.131 ( -4.934 -13.099 3.099) 14.336 4.804 ( -2.454 31.070 -2.547) 31.271 6.094 ( 0.774 -1.878 -5.443) 5.810 6.520 ( -3.477 17.447 1.885) 17.889 7.144 ( -7.449 -9.749 -8.758) 15.074 7.390 ( 0.077 34.783 -0.611) 34.789 8.017 ( 3.001 17.571 5.845) 18.759 13.679 ( -0.453 -27.026 9.278) 28.577 15.605 ( -1.582 2.191 -5.751) 6.354 16.006 ( 0.220 -1.536 2.937) 3.322 17.523 ( 4.578 -18.451 -12.537) 22.772 ======================= Grid point 781 (341/860) ======================= q-point: (-0.21 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 1.871 22.733 10.741) 25.212 3.997 ( -3.424 33.541 2.195) 33.787 4.454 ( -3.393 -3.929 -3.336) 6.171 6.064 ( 0.443 4.645 -9.675) 10.742 6.126 ( -3.171 25.365 1.230) 25.592 6.776 ( -0.444 30.753 2.940) 30.896 7.187 ( -8.667 -6.527 -12.154) 16.292 7.776 ( 4.516 15.363 10.264) 19.020 14.213 ( -0.872 -26.845 9.462) 28.477 15.551 ( -1.226 -1.021 -3.922) 4.234 16.024 ( 0.874 0.334 -0.464) 1.045 17.834 ( 4.492 -19.373 -14.989) 24.903 ======================= Grid point 782 (342/860) ======================= q-point: (-0.16 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 4.436 19.341 15.107) 24.940 3.296 ( -2.879 40.208 3.562) 40.468 4.482 ( -3.899 -1.650 -8.155) 9.189 5.525 ( -0.479 41.712 -0.601) 41.719 5.763 ( -1.561 21.612 -7.140) 22.814 6.501 ( -0.727 2.998 3.470) 4.643 7.067 ( -4.056 9.821 -1.612) 10.747 7.716 ( 2.064 -1.817 3.394) 4.368 14.601 ( -1.532 -11.720 5.682) 13.114 15.631 ( -0.518 -9.921 -0.920) 9.977 16.041 ( 1.065 -4.174 -0.781) 4.378 18.119 ( 3.796 -16.999 -17.472) 24.671 ======================= Grid point 783 (343/860) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 7.814 16.965 18.390) 26.212 2.623 ( -2.943 35.522 9.347) 36.849 4.325 ( -4.466 8.961 -17.883) 20.495 4.694 ( -0.514 50.448 1.330) 50.469 5.325 ( -0.268 23.417 -3.805) 23.726 6.545 ( -1.478 -5.236 2.375) 5.936 6.846 ( 1.844 14.224 11.215) 18.207 7.847 ( 0.550 -10.627 -4.066) 11.391 14.661 ( -1.685 3.495 2.660) 4.704 15.749 ( 0.509 -3.372 -6.583) 7.413 16.298 ( -0.039 -21.813 8.052) 23.251 18.307 ( 1.929 -10.981 -21.029) 23.802 ======================= Grid point 784 (344/860) ======================= q-point: (-0.05 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 10.431 16.304 19.586) 27.537 2.120 ( -2.525 25.119 18.532) 31.318 3.782 ( -1.379 52.823 5.219) 53.098 3.954 ( -3.153 16.389 -25.665) 30.614 4.891 ( 0.966 24.063 -4.797) 24.556 6.614 ( 0.615 2.961 13.222) 13.563 6.791 ( 2.579 -2.816 9.241) 9.999 8.035 ( 2.250 -11.869 -7.115) 14.020 14.535 ( -1.721 9.614 2.321) 10.039 15.748 ( 0.509 -1.349 -8.833) 8.950 16.741 ( -0.420 -19.967 9.923) 22.301 18.319 ( -2.172 -2.088 -23.842) 24.031 ======================= Grid point 788 (345/860) ======================= q-point: ( 0.16 0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -0.592 0.000 15.435) 15.446 1.854 ( 3.373 -0.000 20.815) 21.086 2.721 ( -1.526 0.000 4.804) 5.041 3.270 ( 33.678 -0.000 -3.865) 33.899 3.924 ( 3.791 -0.000 -5.560) 6.730 6.986 ( -1.192 0.000 4.685) 4.834 7.350 ( -1.283 0.000 3.234) 3.479 8.736 ( 14.636 -0.000 -14.594) 20.669 13.936 ( 0.921 -0.000 -0.990) 1.351 15.708 ( -5.365 0.000 -1.070) 5.471 16.197 ( 1.371 -0.000 2.666) 2.998 18.151 ( -8.461 0.000 9.150) 12.462 ======================= Grid point 789 (346/860) ======================= q-point: ( 0.21 0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.143 -22.091 16.260) 27.430 2.052 ( 0.527 -16.529 14.206) 21.801 2.706 ( -1.650 -0.267 -2.891) 3.340 3.623 ( 35.522 -6.664 2.529) 36.230 4.067 ( 4.281 -14.846 -4.562) 16.111 6.920 ( -6.808 5.951 1.325) 9.139 7.345 ( 3.470 0.408 0.840) 3.594 8.707 ( 14.614 9.838 -6.860) 18.905 14.047 ( 0.186 -10.994 -0.670) 11.016 15.601 ( -3.369 4.529 -2.463) 6.158 16.456 ( -1.179 -22.515 0.294) 22.548 18.008 ( -8.135 12.732 7.072) 16.682 ======================= Grid point 790 (347/860) ======================= q-point: ( 0.26 0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -1.072 -7.784 14.982) 16.918 2.541 ( -0.356 -9.349 2.138) 9.597 2.887 ( -0.740 -38.687 -0.391) 38.696 4.059 ( 29.004 -10.903 1.225) 31.010 4.456 ( 8.622 -23.545 -0.427) 25.078 6.719 ( -7.390 8.812 -0.211) 11.502 7.419 ( 3.717 -5.313 -2.243) 6.861 8.587 ( 14.365 15.134 -0.004) 20.866 14.271 ( -0.704 -13.673 0.329) 13.696 15.506 ( -1.743 2.046 -3.733) 4.600 16.839 ( -3.293 -20.860 -0.750) 21.132 17.646 ( -7.655 22.915 2.667) 24.306 ======================= Grid point 791 (348/860) ======================= q-point: ( 0.32 0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -0.782 -7.463 2.840) 8.023 2.630 ( -2.968 -9.766 2.046) 10.410 3.743 ( 2.447 -49.332 3.274) 49.501 4.481 ( 20.907 -13.570 -0.386) 24.927 4.988 ( 11.629 -25.157 3.512) 27.937 6.525 ( -6.037 6.171 -1.064) 8.699 7.556 ( 1.667 -9.470 -5.785) 11.222 8.406 ( 13.901 19.482 4.069) 24.276 14.498 ( -0.637 -11.808 1.134) 11.880 15.472 ( -0.632 -1.368 -3.631) 3.932 17.005 ( -4.209 17.187 10.810) 20.736 17.207 ( -6.708 1.609 -11.874) 13.732 ======================= Grid point 792 (349/860) ======================= q-point: ( 0.37 0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -1.372 -4.873 -6.404) 8.163 2.935 ( -2.316 -23.899 5.839) 24.711 4.617 ( 7.276 -39.683 7.221) 40.986 4.878 ( 14.667 -17.067 -3.795) 22.822 5.534 ( 8.860 -24.557 4.644) 26.516 6.401 ( -4.687 1.979 -1.379) 5.271 7.707 ( -0.154 -9.693 -9.514) 13.583 8.179 ( 12.895 20.331 7.248) 25.143 14.682 ( 0.022 -8.493 1.606) 8.644 15.513 ( 0.185 -5.094 -2.541) 5.696 16.421 ( -5.224 35.936 2.103) 36.375 17.234 ( -4.431 -3.104 -4.521) 7.051 ======================= Grid point 793 (350/860) ======================= q-point: ( 0.42 0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -2.024 -6.685 -6.615) 9.620 3.447 ( -0.947 -32.029 4.675) 32.382 5.103 ( 17.230 -3.477 7.579) 19.142 5.435 ( 4.999 -31.819 -3.741) 32.426 6.050 ( 3.089 -27.579 1.983) 27.822 6.387 ( -3.351 -5.715 0.061) 6.625 7.703 ( 5.993 11.597 -3.172) 13.433 8.077 ( 4.576 -0.872 1.433) 4.874 14.789 ( -0.302 -0.717 1.949) 2.099 15.611 ( 0.290 -1.655 1.903) 2.539 15.793 ( -2.937 23.651 -4.009) 24.168 17.154 ( -3.467 6.686 -1.629) 7.706 ======================= Grid point 794 (351/860) ======================= q-point: ( 0.47 0.16 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -2.432 -9.500 -4.878) 10.952 4.067 ( 0.001 -35.405 4.292) 35.664 5.214 ( 14.010 8.308 2.815) 16.529 5.818 ( 3.858 -9.970 -2.277) 10.930 6.479 ( 0.966 -13.882 0.500) 13.924 6.706 ( -2.085 -34.786 1.737) 34.892 7.479 ( 9.806 18.705 6.165) 22.001 8.204 ( -0.488 -10.389 -5.680) 11.850 14.576 ( -3.531 25.263 0.537) 25.514 15.410 ( 1.009 4.262 1.144) 4.527 15.846 ( 1.066 -12.249 -1.673) 12.409 16.938 ( -2.532 14.129 0.313) 14.357 ======================= Grid point 795 (352/860) ======================= q-point: ( 0.53 0.16 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -2.754 -12.578 -2.828) 13.183 4.697 ( 0.043 -31.064 3.397) 31.249 5.075 ( 10.210 17.166 -0.211) 19.974 5.924 ( 3.679 -1.414 -1.854) 4.356 6.702 ( -3.216 -12.211 0.847) 12.656 7.201 ( 9.151 3.956 12.709) 16.153 7.431 ( 0.602 -22.750 -1.796) 22.829 8.350 ( -0.590 -9.403 -6.415) 11.398 14.005 ( -3.836 31.720 -0.792) 31.961 15.472 ( 1.686 -5.925 0.796) 6.211 16.085 ( 1.444 -13.087 0.054) 13.167 16.643 ( -1.706 16.630 1.878) 16.822 ======================= Grid point 796 (353/860) ======================= q-point: ( 0.58 0.16 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( -2.935 -15.500 -0.741) 15.793 4.660 ( 6.279 26.349 -3.702) 27.339 5.297 ( 0.903 -23.558 5.760) 24.269 5.945 ( 3.481 0.622 -1.558) 3.864 6.856 ( -4.726 -8.236 1.240) 9.576 7.131 ( 6.184 10.353 9.408) 15.295 7.914 ( 0.070 -24.206 -1.150) 24.234 8.459 ( 0.895 -5.618 -4.669) 7.359 13.463 ( -2.981 24.772 -0.372) 24.953 15.597 ( 0.775 -6.204 -0.061) 6.252 16.201 ( 0.028 7.629 -0.075) 7.629 16.487 ( 0.751 -5.678 2.823) 6.385 ======================= Grid point 797 (354/860) ======================= q-point: (-0.37 0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( -2.760 -17.567 1.492) 17.846 4.172 ( 5.424 31.653 -1.240) 32.139 5.607 ( -1.091 -7.178 3.455) 8.041 5.978 ( 3.153 -2.709 -1.460) 4.405 6.927 ( -4.175 -2.783 2.112) 5.444 7.041 ( -0.299 5.479 1.840) 5.787 8.211 ( 0.863 -8.660 0.167) 8.704 8.509 ( 2.214 0.080 -2.203) 3.124 13.117 ( -2.036 11.573 1.647) 11.866 15.688 ( -0.393 -3.713 -0.970) 3.858 16.004 ( -0.317 9.815 1.410) 9.921 16.713 ( 2.138 -13.616 -0.687) 13.800 ======================= Grid point 798 (355/860) ======================= q-point: (-0.32 0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( -0.245 -10.096 5.327) 11.418 3.666 ( 2.675 24.034 0.902) 24.199 5.577 ( -1.593 9.244 0.886) 9.422 6.041 ( 1.529 -1.951 -2.788) 3.731 6.869 ( -7.460 3.169 -4.764) 9.401 6.987 ( -1.348 0.853 1.694) 2.327 8.225 ( 1.262 8.612 0.161) 8.706 8.461 ( 2.982 7.100 1.130) 7.783 13.058 ( -1.260 -4.816 5.009) 7.062 15.690 ( -1.103 1.797 -2.943) 3.620 15.927 ( -0.008 -0.030 3.222) 3.222 16.959 ( 2.614 -13.717 -5.793) 15.118 ======================= Grid point 799 (356/860) ======================= q-point: (-0.26 0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 5.142 30.859 8.136) 32.326 3.832 ( -2.149 -17.654 3.907) 18.209 5.273 ( -1.855 23.257 -1.479) 23.378 6.049 ( 0.301 -0.810 -4.520) 4.602 6.686 ( -8.909 6.409 -8.247) 13.728 6.971 ( -2.207 -0.407 -1.058) 2.481 7.926 ( 0.744 25.044 -1.194) 25.083 8.335 ( 4.013 12.081 5.289) 13.785 13.301 ( -0.869 -19.269 8.708) 21.163 15.613 ( -1.180 3.092 -4.716) 5.761 15.984 ( 0.192 -2.947 3.969) 4.947 17.194 ( 2.819 -15.322 -11.330) 19.264 ======================= Grid point 800 (357/860) ======================= q-point: (-0.21 0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 5.663 27.167 11.872) 30.184 4.111 ( -1.585 -11.527 4.444) 12.455 4.744 ( -1.415 31.769 -3.384) 31.980 6.040 ( -0.449 -0.687 -6.258) 6.311 6.419 ( -7.084 12.309 -6.830) 15.759 6.962 ( -3.942 -3.591 -6.486) 8.396 7.387 ( 0.296 34.243 -0.597) 34.249 8.151 ( 4.750 15.905 7.808) 18.344 13.765 ( -0.975 -27.322 11.391) 29.618 15.530 ( -1.093 2.113 -5.481) 5.975 16.036 ( 0.653 -0.466 2.040) 2.192 17.453 ( 2.639 -18.415 -15.024) 23.912 ======================= Grid point 801 (358/860) ======================= q-point: (-0.16 0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 7.217 22.444 15.140) 28.019 3.964 ( -2.727 33.661 1.641) 33.811 4.396 ( 0.171 -0.812 -3.630) 3.724 5.962 ( -2.229 6.877 -8.598) 11.233 6.074 ( -1.540 20.632 -4.059) 21.084 6.778 ( -2.100 27.131 1.197) 27.239 6.994 ( -2.910 -3.873 -7.114) 8.607 7.945 ( 5.263 15.413 8.158) 18.216 14.291 ( -1.436 -24.981 11.298) 27.455 15.497 ( -0.771 -2.985 -3.915) 4.983 16.030 ( 0.965 1.418 -1.488) 2.271 17.737 ( 1.945 -19.390 -16.824) 25.745 ======================= Grid point 802 (359/860) ======================= q-point: (-0.11 0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 9.252 18.204 17.323) 26.779 3.292 ( -1.847 38.112 3.969) 38.362 4.350 ( -1.510 4.660 -10.731) 11.796 5.522 ( 2.244 40.980 -3.512) 41.191 5.669 ( -2.175 17.954 -5.048) 18.777 6.508 ( -2.046 3.320 3.483) 5.229 7.014 ( -0.205 -0.785 -1.029) 1.311 7.810 ( 4.837 6.318 3.129) 8.550 14.630 ( -1.611 -8.575 6.062) 10.625 15.615 ( -0.439 -10.004 -0.825) 10.048 16.048 ( 0.540 -6.846 -0.737) 6.907 17.984 ( 0.490 -15.942 -18.684) 24.565 ======================= Grid point 803 (360/860) ======================= q-point: (-0.05 0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 10.649 15.750 17.924) 26.129 2.683 ( -1.081 31.981 10.863) 33.793 4.094 ( -1.861 14.089 -19.104) 23.810 4.711 ( 2.050 49.622 -1.116) 49.676 5.289 ( 0.016 22.000 -2.713) 22.166 6.545 ( -1.739 -5.616 3.306) 6.745 7.002 ( 4.901 6.439 11.084) 13.723 7.848 ( 4.265 -6.555 -5.336) 9.468 14.659 ( -1.491 4.159 2.390) 5.024 15.694 ( 0.247 -1.344 -6.424) 6.567 16.369 ( -1.001 -24.493 8.851) 26.062 18.104 ( -2.178 -8.249 -21.323) 22.967 ======================= Grid point 808 (361/860) ======================= q-point: ( 0.21 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -0.006 0.000 12.325) 12.325 2.046 ( -0.697 0.000 16.468) 16.483 2.686 ( -1.061 0.000 -4.200) 4.332 3.910 ( 38.941 -0.000 8.227) 39.801 3.937 ( 4.010 -0.000 -5.304) 6.649 6.916 ( -8.510 0.000 -0.120) 8.511 7.360 ( 2.027 -0.000 -5.090) 5.478 8.889 ( 14.527 -0.000 -3.781) 15.011 13.947 ( 1.115 -0.000 -0.297) 1.154 15.616 ( -4.989 0.000 -0.497) 5.014 16.240 ( 1.516 -0.000 1.427) 2.082 18.092 ( -8.233 0.000 7.284) 10.992 ======================= Grid point 809 (362/860) ======================= q-point: ( 0.26 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.299 -26.908 12.210) 29.551 2.157 ( -1.154 -10.409 9.898) 14.411 2.639 ( -2.248 1.197 -3.613) 4.420 4.038 ( 6.574 -9.743 -4.295) 12.514 4.347 ( 35.826 -8.628 8.391) 37.793 6.779 ( -9.640 5.823 -2.338) 11.502 7.360 ( 2.343 -1.919 -6.830) 7.471 8.920 ( 13.869 8.537 1.408) 16.347 14.050 ( 0.482 -9.995 0.167) 10.008 15.529 ( -3.194 3.770 -1.273) 5.103 16.443 ( -0.633 -18.390 -0.082) 18.401 17.936 ( -7.955 13.394 5.409) 16.490 ======================= Grid point 810 (363/860) ======================= q-point: ( 0.32 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -0.815 -4.771 7.447) 8.882 2.525 ( -2.511 -2.596 1.561) 3.935 2.891 ( -0.155 -46.128 2.176) 46.179 4.320 ( 6.725 -17.210 -3.079) 18.732 4.857 ( 32.023 -12.571 8.695) 35.484 6.572 ( -8.301 6.610 -3.725) 11.246 7.407 ( 1.323 -5.280 -7.395) 9.182 8.838 ( 12.698 14.489 4.632) 19.815 14.269 ( -0.327 -13.390 0.945) 13.428 15.453 ( -1.478 1.570 -1.923) 2.889 16.777 ( -2.958 -19.720 -1.564) 20.002 17.553 ( -7.214 24.681 3.057) 25.895 ======================= Grid point 811 (364/860) ======================= q-point: ( 0.37 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 0.057 -2.781 -4.248) 5.077 2.620 ( -3.848 -12.076 7.686) 14.823 3.798 ( 1.619 -51.645 1.900) 51.705 4.699 ( 7.619 -19.417 -0.990) 20.882 5.366 ( 25.143 -13.005 8.990) 29.701 6.399 ( -6.073 3.820 -4.443) 8.439 7.495 ( -0.308 -8.194 -8.252) 11.634 8.664 ( 11.173 18.793 5.787) 22.617 14.502 ( -0.282 -12.221 1.378) 12.301 15.439 ( -0.322 -1.920 -1.647) 2.550 16.992 ( -6.278 27.767 -4.436) 28.812 17.041 ( -3.768 -8.338 3.917) 9.953 ======================= Grid point 812 (365/860) ======================= q-point: ( 0.42 0.21 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -0.039 -3.503 -5.553) 6.566 2.957 ( -2.631 -24.271 7.438) 25.522 4.717 ( 3.250 -48.464 0.389) 48.575 5.096 ( 9.993 -16.312 1.971) 19.231 5.777 ( 12.943 -10.887 6.838) 18.243 6.313 ( -2.043 -0.771 -3.807) 4.389 7.613 ( -0.746 -9.949 -8.263) 12.955 8.422 ( 9.025 20.515 5.783) 23.146 14.698 ( 0.253 -8.891 1.161) 8.970 15.502 ( 0.484 -5.856 -0.737) 5.922 16.340 ( -4.995 35.491 -1.046) 35.856 17.151 ( -3.531 -3.382 0.382) 4.904 ======================= Grid point 813 (366/860) ======================= q-point: ( 0.47 0.21 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -0.056 -5.766 -3.003) 6.501 3.480 ( -1.256 -32.483 6.235) 33.100 5.401 ( 12.867 -6.075 1.073) 14.270 5.502 ( 5.393 -30.163 1.236) 30.666 6.072 ( -2.584 -21.907 0.112) 22.059 6.374 ( 2.464 -6.072 0.646) 6.585 7.740 ( 3.401 -4.769 -3.389) 6.767 8.173 ( 4.034 13.947 2.485) 14.730 14.790 ( -0.393 1.434 -0.590) 1.600 15.640 ( 0.754 -5.653 2.451) 6.208 15.719 ( -2.406 24.077 -2.204) 24.298 17.105 ( -2.720 6.115 1.728) 6.912 ======================= Grid point 814 (367/860) ======================= q-point: ( 0.53 0.21 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -0.032 -8.280 -0.311) 8.285 4.113 ( -0.341 -35.606 6.108) 36.128 5.432 ( 10.104 12.176 0.433) 15.828 5.863 ( 4.952 -10.011 -2.629) 11.474 6.471 ( -1.713 -11.667 -0.760) 11.816 6.698 ( -1.265 -37.493 2.767) 37.617 7.694 ( 8.443 16.723 7.064) 20.022 8.134 ( -1.362 -9.161 -5.742) 10.897 14.505 ( -3.129 26.838 -3.650) 27.265 15.444 ( 1.086 2.522 2.433) 3.668 15.865 ( 1.312 -12.789 1.255) 12.917 16.919 ( -1.844 13.616 3.070) 14.079 ======================= Grid point 815 (368/860) ======================= q-point: ( 0.58 0.21 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 0.063 -11.107 1.974) 11.282 4.737 ( 0.276 -28.731 4.808) 29.132 5.215 ( 6.704 17.007 -0.194) 18.282 5.982 ( 5.758 -0.472 -2.045) 6.128 6.638 ( -5.148 -11.614 0.898) 12.736 7.378 ( -0.446 -34.969 -0.195) 34.973 7.456 ( 4.385 16.738 6.374) 18.440 8.306 ( 1.632 -10.614 -3.407) 11.266 13.926 ( -3.205 30.561 -3.531) 30.931 15.508 ( 1.388 -4.806 1.619) 5.257 16.115 ( 1.345 -12.430 1.221) 12.562 16.652 ( -0.943 15.772 4.600) 16.456 ======================= Grid point 816 (369/860) ======================= q-point: (-0.37 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 0.335 -14.040 3.958) 14.591 4.738 ( 6.076 25.329 -1.076) 26.070 5.358 ( -0.468 -20.644 6.038) 21.514 5.993 ( 4.128 1.597 -1.734) 4.754 6.793 ( -4.586 -8.989 1.725) 10.237 7.190 ( -3.204 12.541 -2.229) 13.135 7.936 ( 1.980 -23.835 2.333) 24.030 8.470 ( 3.480 -6.101 -0.567) 7.046 13.407 ( -2.549 22.837 -1.932) 23.060 15.609 ( 0.516 -4.682 0.590) 4.748 16.199 ( -0.145 7.896 -0.191) 7.899 16.541 ( 1.280 -5.170 4.838) 7.195 ======================= Grid point 817 (370/860) ======================= q-point: (-0.32 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 0.827 -16.532 5.652) 17.491 4.276 ( 6.471 31.665 2.934) 32.452 5.615 ( -1.608 -5.232 3.035) 6.259 6.007 ( 2.281 -1.332 -2.011) 3.320 6.824 ( -8.423 2.687 -6.067) 10.723 7.002 ( -2.585 1.318 0.077) 2.903 8.249 ( 1.963 -7.996 1.686) 8.405 8.559 ( 4.051 0.038 1.761) 4.417 13.098 ( -1.856 9.053 1.108) 9.307 15.675 ( -0.460 -2.067 -0.206) 2.128 16.016 ( -0.015 8.900 1.511) 9.027 16.738 ( 1.813 -11.369 -0.808) 11.541 ======================= Grid point 818 (371/860) ======================= q-point: (-0.26 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( 0.553 -17.375 5.281) 18.168 3.784 ( 7.738 32.454 9.205) 34.611 5.556 ( -1.612 10.529 0.377) 10.659 6.025 ( 0.330 -0.317 -3.656) 3.684 6.599 ( -12.391 3.921 -15.633) 20.330 7.010 ( -0.134 1.072 4.455) 4.584 8.247 ( 1.347 10.183 -0.409) 10.280 8.553 ( 4.364 6.002 4.586) 8.724 13.085 ( -1.360 -7.413 5.377) 9.258 15.652 ( -0.912 3.359 -1.508) 3.793 15.958 ( 0.433 -0.868 2.633) 2.805 16.934 ( 1.707 -11.281 -7.225) 13.504 ======================= Grid point 819 (372/860) ======================= q-point: (-0.21 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 5.555 29.242 9.117) 31.130 3.899 ( 3.857 -14.529 9.756) 17.920 5.227 ( -1.562 24.283 -2.224) 24.435 6.003 ( -0.591 0.038 -4.565) 4.603 6.370 ( -12.027 1.369 -18.807) 22.365 6.977 ( 0.159 4.543 3.420) 5.689 7.926 ( 0.879 25.636 -1.501) 25.695 8.463 ( 4.477 11.098 6.068) 13.417 13.370 ( -1.283 -21.136 9.750) 23.312 15.559 ( -0.849 4.413 -3.291) 5.570 16.025 ( 0.771 -2.978 3.022) 4.312 17.113 ( 1.341 -13.687 -13.233) 19.085 ======================= Grid point 820 (373/860) ======================= q-point: (-0.16 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 6.632 25.265 12.357) 28.896 4.172 ( 2.484 -6.269 7.314) 9.948 4.697 ( -0.108 30.856 -3.714) 31.079 5.965 ( -1.905 1.147 -6.183) 6.571 6.184 ( -6.930 1.830 -14.865) 16.503 6.903 ( -0.313 3.793 -0.606) 3.853 7.388 ( 0.499 33.640 -0.665) 33.650 8.297 ( 4.664 14.768 6.296) 16.718 13.857 ( -1.644 -27.834 12.866) 30.707 15.469 ( -0.596 2.449 -4.700) 5.333 16.064 ( 1.059 0.905 0.676) 1.549 17.332 ( 0.677 -18.010 -16.259) 24.273 ======================= Grid point 821 (374/860) ======================= q-point: (-0.11 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 7.588 20.055 13.824) 25.512 3.942 ( -1.606 33.775 1.467) 33.845 4.388 ( 2.788 4.461 -3.636) 6.395 5.841 ( -2.555 7.406 -7.779) 11.041 6.021 ( 1.799 12.565 -6.184) 14.119 6.743 ( -2.075 21.310 0.366) 21.414 6.948 ( 1.102 2.924 -2.115) 3.773 8.092 ( 4.975 15.329 5.207) 16.937 14.375 ( -2.000 -23.043 12.609) 26.343 15.453 ( -0.387 -4.751 -3.517) 5.924 16.025 ( 0.963 2.681 -3.068) 4.187 17.590 ( -0.409 -18.826 -16.983) 25.358 ======================= Grid point 822 (375/860) ======================= q-point: (-0.05 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 7.958 15.684 13.679) 22.281 3.313 ( -0.390 35.319 4.722) 35.635 4.241 ( 1.279 11.002 -10.924) 15.556 5.504 ( 2.927 34.408 -10.713) 36.156 5.643 ( 1.084 21.233 3.023) 21.474 6.507 ( -2.265 2.802 3.970) 5.362 7.048 ( 4.665 -7.925 0.337) 9.202 7.912 ( 4.936 10.272 0.994) 11.440 14.662 ( -1.492 -5.456 6.161) 8.363 15.601 ( -0.389 -9.127 -0.581) 9.153 16.043 ( -0.250 -10.222 -1.103) 10.285 17.796 ( -2.162 -14.014 -17.941) 22.868 ======================= Grid point 828 (376/860) ======================= q-point: ( 0.26 0.26 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.005 -0.000 9.469) 9.469 2.152 ( -1.186 0.000 9.994) 10.064 2.629 ( -2.793 0.000 -0.923) 2.941 3.955 ( 4.067 -0.000 -4.976) 6.426 4.641 ( 38.983 -0.000 10.244) 40.307 6.729 ( -11.001 0.000 -5.129) 12.138 7.325 ( 1.903 -0.000 -7.962) 8.186 9.115 ( 12.336 -0.000 3.245) 12.755 13.966 ( 1.145 -0.000 0.456) 1.233 15.539 ( -4.132 0.000 0.120) 4.134 16.272 ( 1.514 -0.000 0.026) 1.514 18.014 ( -8.199 0.000 4.605) 9.404 ======================= Grid point 829 (377/860) ======================= q-point: ( 0.32 0.26 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 0.191 -30.381 8.307) 31.496 2.208 ( -0.670 -5.990 4.652) 7.613 2.575 ( -4.139 2.320 1.572) 4.999 4.071 ( 3.931 -11.590 -4.323) 12.980 5.046 ( 36.905 -4.856 10.224) 38.601 6.569 ( -10.239 4.089 -7.155) 13.144 7.321 ( 1.388 -1.982 -6.873) 7.286 9.156 ( 10.522 7.862 4.880) 14.012 14.065 ( 0.589 -9.225 0.977) 9.295 15.475 ( -2.574 2.892 -0.132) 3.874 16.431 ( -0.208 -15.154 -1.018) 15.189 17.846 ( -7.815 13.277 2.952) 15.687 ======================= Grid point 830 (378/860) ======================= q-point: ( 0.37 0.26 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 0.704 -1.750 -0.777) 2.040 2.510 ( -4.743 -1.525 8.059) 9.475 2.914 ( 0.139 -48.802 2.590) 48.871 4.368 ( 3.626 -19.679 -2.850) 20.212 5.489 ( 32.546 -6.948 10.611) 34.930 6.383 ( -7.883 3.869 -8.009) 11.885 7.350 ( 0.028 -4.064 -6.296) 7.494 9.063 ( 8.659 13.943 5.142) 17.200 14.277 ( -0.102 -13.040 1.532) 13.130 15.423 ( -0.968 0.971 -0.199) 1.385 16.716 ( -2.231 -17.350 -2.382) 17.654 17.462 ( -6.869 24.013 2.011) 25.056 ======================= Grid point 831 (379/860) ======================= q-point: ( 0.42 0.26 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 1.600 -1.182 -4.366) 4.798 2.637 ( -4.538 -12.976 10.174) 17.102 3.837 ( 1.267 -52.371 1.350) 52.403 4.775 ( 3.708 -23.379 -0.938) 23.690 5.871 ( 21.908 -2.581 10.726) 24.528 6.262 ( -1.470 -0.636 -8.156) 8.311 7.411 ( -1.356 -7.080 -6.103) 9.446 8.861 ( 6.753 18.323 4.475) 20.034 14.513 ( -0.067 -12.392 1.534) 12.487 15.431 ( 0.134 -2.409 0.287) 2.429 16.835 ( -4.411 16.769 -7.937) 19.069 17.039 ( -4.157 2.419 7.002) 8.495 ======================= Grid point 832 (380/860) ======================= q-point: ( 0.47 0.26 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 1.937 -3.169 -1.283) 3.930 2.985 ( -3.041 -24.729 8.373) 26.285 4.764 ( 2.838 -49.443 -0.530) 49.528 5.227 ( 4.669 -23.391 1.460) 23.897 5.951 ( 0.092 3.365 0.710) 3.440 6.357 ( 11.920 -3.398 0.333) 12.400 7.540 ( -0.399 -11.691 -4.660) 12.592 8.576 ( 4.553 20.943 3.432) 21.706 14.711 ( 0.298 -8.587 0.557) 8.610 15.515 ( 0.893 -6.334 1.077) 6.487 16.247 ( -4.037 33.455 -2.688) 33.805 17.118 ( -2.705 -3.183 3.208) 5.267 ======================= Grid point 833 (381/860) ======================= q-point: ( 0.53 0.26 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 2.077 -5.092 2.255) 5.944 3.522 ( -1.560 -33.237 7.628) 34.137 5.532 ( 7.002 -28.282 -3.245) 29.316 5.632 ( 6.057 -8.741 1.752) 10.778 5.979 ( -6.578 -22.775 -1.890) 23.781 6.465 ( 5.548 -0.278 2.482) 6.085 7.774 ( 3.542 -14.100 -0.904) 14.566 8.237 ( 1.324 21.118 1.516) 21.214 14.765 ( -0.594 5.177 -2.959) 5.993 15.672 ( -0.215 5.106 -0.740) 5.163 15.686 ( -0.119 8.320 3.665) 9.092 17.095 ( -1.824 5.679 4.020) 7.193 ======================= Grid point 834 (382/860) ======================= q-point: ( 0.58 0.26 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 2.189 -7.266 4.781) 8.969 4.171 ( -0.538 -35.905 7.772) 36.741 5.531 ( 3.364 12.728 -3.041) 13.511 5.947 ( 8.120 -11.743 -2.067) 14.426 6.412 ( -4.046 -10.488 -1.494) 11.341 6.716 ( -0.558 -35.544 3.857) 35.757 7.844 ( 1.637 21.365 2.788) 21.608 8.088 ( 2.343 -14.272 -1.401) 14.531 14.412 ( -2.501 27.720 -6.121) 28.498 15.489 ( 0.889 1.420 3.651) 4.017 15.908 ( 1.546 -12.653 2.665) 13.023 16.934 ( -0.963 13.140 5.150) 14.146 ======================= Grid point 835 (383/860) ======================= q-point: ( 0.63 0.26 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 2.415 -10.020 6.437) 12.152 4.798 ( 0.742 -28.049 6.608) 28.826 5.281 ( 2.270 14.748 -1.304) 14.978 6.071 ( 7.056 2.387 -1.957) 7.702 6.561 ( -5.274 -12.995 1.546) 14.109 7.297 ( -5.357 -11.598 -4.484) 13.539 7.557 ( 1.241 -4.432 3.214) 5.614 8.354 ( 4.815 -10.955 1.822) 12.105 13.838 ( -2.500 29.326 -5.250) 29.897 15.548 ( 0.866 -3.563 3.002) 4.738 16.146 ( 1.112 -10.525 0.918) 10.624 16.698 ( 0.104 14.439 6.700) 15.918 ======================= Grid point 836 (384/860) ======================= q-point: (-0.32 0.26 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 2.720 -13.048 7.358) 15.224 4.839 ( 5.964 22.942 1.579) 23.757 5.392 ( -2.009 -19.194 5.878) 20.175 6.040 ( 3.247 3.408 -1.578) 4.965 6.733 ( -4.394 -6.586 -0.091) 7.917 7.031 ( -8.472 10.421 -7.280) 15.276 7.996 ( 2.022 -22.761 2.130) 22.950 8.554 ( 4.797 -5.760 3.117) 8.118 13.346 ( -2.067 20.837 -3.035) 21.158 15.627 ( 0.082 -3.175 2.106) 3.811 16.192 ( -0.237 7.130 -0.663) 7.165 16.615 ( 1.837 -2.792 5.537) 6.468 ======================= Grid point 837 (385/860) ======================= q-point: (-0.26 0.26 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 2.626 -15.252 6.906) 16.947 4.443 ( 7.742 29.000 7.920) 31.043 5.614 ( -1.796 -3.864 3.015) 5.220 6.013 ( 0.882 0.696 -2.216) 2.484 6.536 ( -13.210 9.577 -15.096) 22.229 6.995 ( -0.849 -4.682 3.400) 5.848 8.288 ( 1.511 -7.073 0.320) 7.240 8.660 ( 4.297 -0.101 4.172) 5.990 13.077 ( -1.645 6.405 0.600) 6.640 15.671 ( -0.638 -0.686 1.381) 1.668 16.030 ( 0.196 7.773 1.074) 7.849 16.757 ( 1.652 -7.893 -1.330) 8.173 ======================= Grid point 838 (386/860) ======================= q-point: (-0.21 0.26 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.564 ( -0.215 -8.136 1.533) 8.281 4.087 ( 12.174 22.707 18.494) 31.715 5.533 ( -1.634 11.983 0.251) 12.096 5.989 ( -0.426 0.864 -3.497) 3.627 6.208 ( -13.775 4.331 -20.617) 25.171 7.054 ( 0.129 0.594 4.573) 4.614 8.260 ( 1.171 11.071 -1.239) 11.202 8.668 ( 3.798 5.359 4.720) 8.088 13.112 ( -1.487 -10.130 5.352) 11.553 15.633 ( -0.814 4.679 0.348) 4.762 15.990 ( 0.792 -1.742 1.913) 2.706 16.882 ( 0.966 -7.829 -8.383) 11.511 ======================= Grid point 839 (387/860) ======================= q-point: (-0.16 0.26 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( 1.237 19.585 3.914) 20.011 4.158 ( 10.786 -3.423 17.886) 21.165 5.184 ( -0.985 24.737 -2.328) 24.866 5.938 ( -4.607 1.600 -7.033) 8.558 6.003 ( -6.366 -3.219 -18.483) 19.812 7.015 ( 0.158 5.737 3.603) 6.777 7.927 ( 1.055 25.867 -1.700) 25.944 8.579 ( 3.576 10.255 4.373) 11.708 13.438 ( -1.787 -23.152 10.004) 25.284 15.525 ( -0.540 5.828 -1.563) 6.058 16.065 ( 1.259 -2.852 2.041) 3.726 16.995 ( 0.035 -11.475 -14.217) 18.270 ======================= Grid point 840 (388/860) ======================= q-point: (-0.11 0.26 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 3.187 20.485 7.467) 22.035 4.313 ( 4.168 5.216 8.956) 11.171 4.682 ( 2.351 27.579 -2.620) 27.803 5.842 ( -3.475 -0.231 -9.487) 10.106 6.007 ( 0.620 -5.326 -9.874) 11.236 6.910 ( 0.312 6.785 0.956) 6.859 7.391 ( 0.703 33.226 -0.748) 33.242 8.413 ( 3.747 13.752 3.576) 14.695 13.947 ( -2.401 -28.684 13.355) 31.731 15.424 ( -0.091 3.198 -3.586) 4.805 16.082 ( 1.370 2.756 -0.988) 3.232 17.178 ( -0.992 -17.461 -15.875) 23.620 ======================= Grid point 841 (389/860) ======================= q-point: (-0.05 0.26 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 3.315 16.427 7.259) 18.263 3.944 ( 0.133 33.434 1.674) 33.476 4.416 ( 4.511 10.464 -2.713) 11.713 5.753 ( 0.246 6.746 -6.465) 9.347 6.039 ( 6.143 6.432 -3.281) 9.480 6.729 ( -0.908 20.721 1.584) 20.802 6.963 ( 2.385 2.811 -1.092) 3.845 8.200 ( 4.007 15.052 2.044) 15.710 14.459 ( -2.500 -21.429 13.095) 25.237 15.420 ( -0.081 -6.211 -2.858) 6.837 16.003 ( 0.860 4.233 -4.998) 6.606 17.416 ( -2.178 -17.874 -15.248) 23.595 ======================= Grid point 848 (390/860) ======================= q-point: ( 0.32 0.32 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -0.438 0.000 6.986) 7.000 2.203 ( -0.105 0.000 3.968) 3.969 2.583 ( -5.049 0.000 4.850) 7.001 3.976 ( 3.953 -0.000 -4.628) 6.087 5.352 ( 35.939 -0.000 10.161) 37.348 6.479 ( -10.456 0.000 -9.760) 14.303 7.290 ( 1.252 -0.000 -4.749) 4.911 9.325 ( 8.002 -0.000 5.102) 9.490 13.992 ( 1.006 -0.000 1.212) 1.575 15.484 ( -3.025 0.000 0.764) 3.120 16.289 ( 1.374 -0.000 -1.412) 1.970 17.910 ( -7.921 0.000 1.531) 8.068 ======================= Grid point 849 (391/860) ======================= q-point: ( 0.37 0.32 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -0.274 -31.749 4.913) 32.128 2.233 ( 0.843 -3.924 1.325) 4.227 2.536 ( -5.986 2.630 7.560) 9.995 4.094 ( 3.596 -11.829 -3.895) 12.962 5.716 ( 33.171 -3.632 9.893) 34.805 6.327 ( -8.844 2.368 -10.504) 13.934 7.288 ( 0.311 -0.961 -3.180) 3.337 9.336 ( 5.753 7.494 4.671) 10.539 14.087 ( 0.505 -8.655 1.688) 8.833 15.444 ( -1.733 2.000 0.917) 2.801 16.416 ( 0.076 -12.835 -2.125) 13.010 17.737 ( -7.303 12.704 0.163) 14.654 ======================= Grid point 850 (392/860) ======================= q-point: ( 0.42 0.32 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 2.718 -0.066 -2.041) 3.399 2.512 ( -6.335 -2.508 11.271) 13.171 2.940 ( -0.111 -49.438 2.590) 49.506 4.397 ( 3.009 -20.368 -2.416) 20.730 6.082 ( 22.014 -0.622 12.059) 25.109 6.186 ( 0.381 -1.848 -12.481) 12.623 7.297 ( -1.465 -2.301 -2.668) 3.816 9.206 ( 3.909 13.502 3.466) 14.478 14.293 ( -0.050 -12.689 1.966) 12.841 15.417 ( -0.347 0.276 1.327) 1.399 16.661 ( -1.353 -15.041 -3.030) 15.403 17.365 ( -6.194 22.123 0.211) 22.975 ======================= Grid point 851 (393/860) ======================= q-point: ( 0.47 0.32 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 3.645 -1.198 -0.143) 3.840 2.655 ( -5.338 -13.587 10.655) 18.072 3.865 ( 0.667 -52.896 1.211) 52.914 4.817 ( 2.570 -24.834 -0.786) 24.979 6.005 ( -4.634 4.297 -5.621) 8.458 6.451 ( 22.303 -3.338 4.865) 23.071 7.343 ( -2.259 -6.977 -2.038) 7.612 8.965 ( 2.248 17.937 2.092) 18.198 14.527 ( -0.006 -12.325 1.553) 12.422 15.448 ( 0.656 -2.892 1.977) 3.564 16.705 ( -2.989 17.791 -7.097) 19.386 17.033 ( -3.496 0.154 5.305) 6.355 ======================= Grid point 852 (394/860) ======================= q-point: ( 0.53 0.32 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 3.736 -3.063 4.169) 6.382 3.012 ( -3.526 -25.745 8.972) 27.491 4.800 ( 2.049 -50.636 -0.302) 50.678 5.292 ( 2.304 -26.497 0.806) 26.609 5.864 ( -4.508 4.322 -6.465) 8.989 6.601 ( 12.010 4.540 3.347) 13.269 7.525 ( 1.443 -14.508 0.314) 14.583 8.637 ( 0.533 21.049 0.924) 21.076 14.717 ( 0.202 -7.586 -0.032) 7.589 15.551 ( 1.342 -6.625 2.605) 7.244 16.163 ( -2.810 30.866 -3.193) 31.158 17.119 ( -1.627 -3.446 4.444) 5.854 ======================= Grid point 853 (395/860) ======================= q-point: ( 0.58 0.32 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 3.450 -4.524 7.089) 9.090 3.571 ( -1.836 -34.378 8.809) 35.536 5.609 ( 5.557 -33.769 -1.924) 34.277 5.682 ( 0.949 4.523 -5.419) 7.122 5.862 ( -4.925 -34.301 -0.122) 34.653 6.566 ( 3.093 5.550 2.861) 6.968 7.839 ( 3.724 -16.356 1.760) 16.867 8.247 ( -0.908 22.651 0.223) 22.670 14.719 ( -0.696 9.429 -4.423) 10.438 15.662 ( -0.827 15.033 1.366) 15.118 15.738 ( 1.636 -6.680 3.438) 7.689 17.119 ( -0.643 5.204 5.455) 7.567 ======================= Grid point 854 (396/860) ======================= q-point: ( 0.63 0.32 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 3.342 -6.628 8.472) 11.264 4.240 ( -0.759 -36.485 9.176) 37.629 5.501 ( -1.338 10.004 -6.043) 11.764 6.074 ( 8.598 -14.453 -1.332) 16.870 6.318 ( -5.463 -9.231 -1.724) 10.864 6.748 ( -0.341 -31.411 4.490) 31.732 7.788 ( -5.361 20.851 -3.336) 21.786 8.193 ( 6.038 -12.951 4.301) 14.922 14.314 ( -1.846 28.298 -7.031) 29.217 15.540 ( 0.506 0.718 4.714) 4.795 15.959 ( 1.663 -11.876 2.538) 12.258 16.983 ( 0.224 12.618 6.579) 14.232 ======================= Grid point 855 (397/860) ======================= q-point: (-0.32 -0.68 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 3.447 -9.447 8.809) 13.369 4.882 ( 0.692 -29.217 8.469) 30.427 5.266 ( -1.412 11.676 -3.210) 12.191 6.148 ( 3.477 5.621 -1.902) 6.878 6.514 ( -1.617 -15.441 1.937) 15.645 7.138 ( -7.995 6.340 -4.701) 11.235 7.574 ( -0.387 -19.124 0.237) 19.129 8.468 ( 4.843 -10.239 3.949) 11.995 13.749 ( -1.844 28.283 -5.969) 28.965 15.593 ( 0.249 -2.469 4.609) 5.235 16.164 ( 0.713 -7.901 -0.326) 7.939 16.779 ( 1.437 13.057 7.840) 15.298 ======================= Grid point 856 (398/860) ======================= q-point: (-0.26 0.32 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 3.473 -12.261 8.057) 15.077 4.948 ( 3.971 18.381 2.696) 18.997 5.409 ( -2.385 -19.393 6.149) 20.484 6.062 ( 0.632 4.442 -1.026) 4.602 6.599 ( -7.778 12.947 -8.480) 17.321 6.877 ( -4.190 -5.284 0.011) 6.744 8.033 ( 1.086 -22.555 0.460) 22.585 8.661 ( 3.704 -5.545 3.757) 7.654 13.285 ( -1.598 18.990 -3.559) 19.387 15.652 ( -0.442 -1.823 3.957) 4.379 16.177 ( -0.378 5.899 -1.551) 6.112 16.702 ( 2.548 0.630 5.329) 5.940 ======================= Grid point 857 (399/860) ======================= q-point: (-0.21 0.32 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 2.569 -12.625 5.398) 13.969 4.662 ( 7.155 21.362 11.075) 25.103 5.617 ( -1.374 -2.552 3.689) 4.692 5.999 ( -0.240 2.389 -1.701) 2.942 6.155 ( -13.614 14.040 -17.016) 25.923 7.022 ( -0.116 -6.475 3.673) 7.445 8.306 ( 1.032 -6.568 -0.775) 6.694 8.757 ( 2.733 -0.415 3.457) 4.426 13.056 ( -1.438 3.904 0.256) 4.168 15.680 ( -0.891 0.379 3.195) 3.338 16.040 ( 0.205 6.308 0.203) 6.315 16.769 ( 1.809 -3.423 -1.899) 4.313 ======================= Grid point 858 (400/860) ======================= q-point: (-0.16 0.32 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( -0.389 -2.199 0.694) 2.338 4.476 ( 11.500 14.470 19.835) 27.112 5.510 ( -1.443 13.789 0.553) 13.875 5.801 ( -10.980 3.729 -20.569) 23.613 5.952 ( -0.631 1.460 -2.492) 2.957 7.093 ( -0.216 0.487 3.778) 3.815 8.265 ( 1.117 11.342 -1.636) 11.514 8.753 ( 2.172 4.735 2.685) 5.861 13.135 ( -1.647 -12.648 4.979) 13.692 15.631 ( -0.779 5.723 2.173) 6.171 16.018 ( 0.920 -2.860 1.137) 3.213 16.813 ( 0.607 -3.526 -8.944) 9.633 ======================= Grid point 859 (401/860) ======================= q-point: (-0.11 0.32 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( -1.329 13.672 0.933) 13.768 4.500 ( 8.511 5.458 15.565) 18.561 5.167 ( 1.344 24.245 -0.454) 24.286 5.664 ( -4.038 -6.424 -16.829) 18.460 5.927 ( 0.297 -0.651 -3.224) 3.303 7.043 ( -0.546 6.145 2.782) 6.767 7.930 ( 1.259 25.848 -1.784) 25.940 8.655 ( 2.155 9.257 1.666) 9.649 13.495 ( -2.334 -25.084 9.367) 26.877 15.512 ( -0.239 7.167 0.164) 7.172 16.103 ( 1.575 -2.555 1.149) 3.214 16.855 ( -0.891 -8.915 -14.014) 16.633 ======================= Grid point 860 (402/860) ======================= q-point: (-0.05 0.32 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( -1.360 16.456 1.139) 16.551 4.432 ( 2.480 16.357 4.714) 17.202 4.725 ( 3.899 23.349 -0.987) 23.693 5.761 ( 3.055 -4.795 -4.904) 7.508 5.990 ( 4.923 -8.499 -3.755) 10.515 6.921 ( -0.142 7.128 0.836) 7.178 7.397 ( 0.934 33.094 -0.809) 33.117 8.483 ( 2.484 12.688 0.547) 12.940 14.024 ( -3.167 -29.900 12.521) 32.570 15.400 ( 0.427 4.296 -2.267) 4.877 16.089 ( 1.559 5.170 -2.697) 6.036 17.012 ( -2.131 -17.057 -13.682) 21.969 ======================= Grid point 868 (403/860) ======================= q-point: ( 0.37 0.37 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -1.255 0.000 4.953) 5.110 2.240 ( 1.652 -0.000 2.157) 2.717 2.552 ( -6.733 0.000 8.821) 11.097 3.997 ( 3.688 -0.000 -4.308) 5.671 5.984 ( 30.226 -0.000 5.554) 30.732 6.233 ( -7.160 0.000 -7.920) 10.677 7.276 ( -0.125 0.000 -0.471) 0.487 9.459 ( 3.053 -0.000 3.969) 5.007 14.021 ( 0.712 -0.000 1.921) 2.049 15.455 ( -1.879 0.000 1.431) 2.362 16.290 ( 1.119 -0.000 -2.761) 2.979 17.787 ( -7.067 0.000 -1.524) 7.229 ======================= Grid point 869 (404/860) ======================= q-point: ( 0.42 0.37 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -1.062 -32.093 2.700) 32.224 2.277 ( 2.742 -2.908 2.516) 4.722 2.513 ( -7.333 1.936 10.369) 12.847 4.116 ( 3.264 -11.998 -3.556) 12.932 6.086 ( -3.518 -0.089 -15.108) 15.513 6.317 ( 25.229 -1.625 12.513) 28.208 7.268 ( -1.627 0.393 0.837) 1.871 9.426 ( 1.105 7.203 2.621) 7.744 14.112 ( 0.266 -8.220 2.267) 8.531 15.436 ( -0.853 1.147 1.866) 2.351 16.394 ( 0.248 -11.458 -3.125) 11.879 17.615 ( -6.182 11.934 -2.550) 13.680 ======================= Grid point 870 (405/860) ======================= q-point: ( 0.47 0.37 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 4.778 0.214 1.079) 4.903 2.507 ( -7.707 -3.880 11.957) 14.745 2.956 ( -0.795 -49.480 2.408) 49.544 4.421 ( 2.581 -20.728 -2.124) 20.996 5.973 ( -4.504 1.480 -11.808) 12.724 6.624 ( 24.078 -2.996 9.212) 25.954 7.247 ( -4.019 -0.820 1.210) 4.276 9.256 ( -0.193 13.093 0.976) 13.131 14.311 ( -0.139 -12.352 2.225) 12.552 15.435 ( 0.297 -0.477 2.588) 2.649 16.616 ( -0.424 -13.427 -3.281) 13.829 17.266 ( -4.989 19.749 -1.859) 20.454 ======================= Grid point 871 (406/860) ======================= q-point: ( 0.53 0.37 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 5.172 -1.686 4.715) 7.198 2.659 ( -6.370 -14.616 10.630) 19.163 3.880 ( -0.206 -53.447 1.196) 53.461 4.846 ( 1.851 -25.372 -0.711) 25.449 5.853 ( -3.826 2.508 -10.142) 11.126 6.819 ( 14.426 5.120 5.129) 16.144 7.314 ( -0.733 -10.289 3.244) 10.813 8.978 ( -1.285 17.582 -0.368) 17.632 14.541 ( -0.066 -12.068 1.483) 12.158 15.488 ( 1.191 -3.375 3.263) 4.844 16.604 ( -1.756 19.441 -6.170) 20.472 17.028 ( -2.053 -3.572 3.550) 5.438 ======================= Grid point 872 (407/860) ======================= q-point: ( 0.58 0.37 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 4.120 -2.806 8.400) 9.768 3.037 ( -3.937 -27.494 9.299) 29.290 4.822 ( 0.634 -51.911 0.087) 51.915 5.321 ( 0.606 -26.938 0.374) 26.947 5.725 ( -3.028 3.695 -9.269) 10.428 6.752 ( 2.877 9.848 2.093) 10.471 7.602 ( 4.926 -15.759 4.849) 17.208 8.618 ( -2.427 20.870 -1.215) 21.046 14.717 ( 0.052 -6.104 -0.411) 6.118 15.606 ( 1.735 -6.705 3.608) 7.810 16.097 ( -1.646 28.231 -3.175) 28.457 17.148 ( -0.034 -4.266 4.823) 6.439 ======================= Grid point 873 (408/860) ======================= q-point: (-0.37 -0.63 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 3.268 -4.212 9.678) 11.049 3.625 ( -2.202 -35.811 9.574) 37.134 5.560 ( -6.297 1.534 -8.226) 10.472 5.678 ( 4.674 -36.160 -1.276) 36.483 5.832 ( -0.200 -30.283 0.006) 30.284 6.608 ( -1.148 6.047 2.612) 6.686 7.923 ( 3.367 -9.819 3.544) 10.968 8.217 ( -2.309 17.759 -0.944) 17.934 14.664 ( -0.635 13.243 -4.790) 14.097 15.669 ( -0.647 12.419 2.544) 12.693 15.799 ( 2.134 -8.111 2.882) 8.869 17.176 ( 0.975 4.721 6.200) 7.853 ======================= Grid point 874 (409/860) ======================= q-point: (-0.32 -0.63 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 3.014 -6.509 9.533) 11.931 4.312 ( -1.491 -37.287 9.825) 38.589 5.387 ( -4.653 6.895 -7.445) 11.164 6.188 ( 5.466 -19.990 0.106) 20.725 6.210 ( -4.512 -5.239 -2.840) 7.474 6.785 ( -0.438 -28.848 4.618) 29.219 7.662 ( -5.678 22.894 -2.916) 23.767 8.315 ( 3.803 -12.799 3.583) 13.824 14.224 ( -1.275 28.835 -6.794) 29.652 15.593 ( 0.042 0.081 5.512) 5.513 16.005 ( 1.551 -10.413 1.370) 10.616 17.064 ( 1.806 12.093 7.251) 14.215 ======================= Grid point 875 (410/860) ======================= q-point: (-0.26 -0.63 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 3.029 -9.334 8.405) 12.921 4.964 ( -1.627 -31.584 8.939) 32.865 5.182 ( -3.716 8.876 -4.667) 10.695 6.132 ( -2.581 4.345 -1.931) 5.410 6.553 ( 3.463 -15.620 1.590) 16.078 6.978 ( -7.143 20.234 -1.506) 21.511 7.561 ( -0.862 -27.326 -0.707) 27.349 8.563 ( 2.513 -10.100 2.813) 10.782 13.669 ( -1.287 27.531 -5.771) 28.159 15.642 ( -0.376 -1.671 6.046) 6.284 16.162 ( 0.230 -5.316 -1.884) 5.645 16.888 ( 2.945 12.281 7.789) 14.838 ======================= Grid point 876 (411/860) ======================= q-point: (-0.21 -0.63 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( 2.902 -11.519 6.287) 13.440 4.978 ( -2.597 9.395 -0.508) 9.760 5.442 ( -1.056 -18.451 6.963) 19.749 6.035 ( -2.410 3.289 -1.517) 4.350 6.401 ( -5.844 28.243 -4.958) 29.265 6.864 ( -0.223 -12.550 2.372) 12.774 8.044 ( 0.402 -22.823 -0.523) 22.833 8.731 ( 1.303 -5.803 1.951) 6.259 13.229 ( -1.179 17.451 -3.409) 17.819 15.685 ( -0.969 -0.707 5.653) 5.779 16.149 ( -0.610 4.575 -2.787) 5.391 16.797 ( 3.437 4.434 4.518) 7.203 ======================= Grid point 877 (412/860) ======================= q-point: (-0.16 0.37 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 1.910 -9.674 3.322) 10.405 4.816 ( -0.130 8.453 4.354) 9.509 5.642 ( -0.794 -2.168 3.836) 4.477 5.842 ( -6.765 20.424 -7.697) 22.850 5.980 ( -0.537 4.432 -0.570) 4.501 7.052 ( -0.125 -6.750 2.844) 7.325 8.310 ( 0.724 -6.536 -1.314) 6.706 8.805 ( 0.530 -1.008 0.984) 1.505 13.036 ( -1.265 1.825 0.218) 2.231 15.701 ( -1.153 1.149 4.757) 5.028 16.038 ( -0.061 4.439 -1.072) 4.567 16.783 ( 2.351 1.647 -2.220) 3.629 ======================= Grid point 878 (413/860) ======================= q-point: (-0.11 0.37 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.567 ( -0.625 1.554 0.868) 1.886 4.716 ( -0.200 5.393 3.439) 6.400 5.523 ( 3.500 9.862 1.440) 10.563 5.552 ( -2.064 9.811 -4.187) 10.865 5.926 ( -0.283 1.472 -1.176) 1.905 7.114 ( -0.958 0.689 2.631) 2.883 8.266 ( 1.104 11.230 -1.834) 11.432 8.785 ( 0.366 3.809 -0.185) 3.831 13.150 ( -1.830 -14.626 4.387) 15.379 15.646 ( -0.758 6.427 3.507) 7.361 16.039 ( 0.690 -4.450 0.270) 4.511 16.741 ( 0.774 1.423 -8.571) 8.723 ======================= Grid point 879 (414/860) ======================= q-point: (-0.05 0.37 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( -3.456 13.515 -1.110) 13.993 4.635 ( 0.134 4.322 -0.718) 4.384 5.198 ( 0.976 25.093 -1.448) 25.153 5.632 ( 9.957 -9.813 2.688) 14.236 5.921 ( 1.554 -1.607 -0.564) 2.305 7.047 ( -1.546 6.328 1.790) 6.755 7.935 ( 1.413 25.632 -1.822) 25.735 8.680 ( 0.708 8.052 -1.288) 8.185 13.534 ( -2.843 -26.613 7.916) 27.911 15.519 ( 0.065 8.185 1.468) 8.316 16.137 ( 1.666 -2.232 0.469) 2.825 16.712 ( -1.316 -6.203 -12.429) 13.953 ======================= Grid point 888 (415/860) ======================= q-point: ( 0.42 0.42 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -2.393 0.000 3.423) 4.177 2.311 ( 3.250 -0.000 4.875) 5.859 2.520 ( -7.808 0.000 9.422) 12.237 4.015 ( 3.311 -0.000 -4.045) 5.228 5.987 ( -2.789 0.000 -15.552) 15.800 6.556 ( 22.785 -0.000 12.255) 25.872 7.270 ( -2.370 0.000 3.307) 4.068 9.500 ( -0.991 0.000 1.544) 1.834 14.050 ( 0.300 -0.000 2.534) 2.552 15.449 ( -0.824 0.000 2.126) 2.280 16.274 ( 0.779 -0.000 -3.896) 3.974 17.656 ( -5.557 0.000 -4.191) 6.960 ======================= Grid point 889 (416/860) ======================= q-point: ( 0.47 0.42 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -2.290 -32.924 1.818) 33.054 2.374 ( 3.885 -1.787 6.309) 7.622 2.482 ( -8.199 0.722 9.793) 12.793 4.134 ( 2.858 -12.183 -3.327) 12.949 5.895 ( -2.362 0.231 -14.389) 14.583 6.807 ( 20.278 -2.385 11.005) 23.195 7.244 ( -4.323 2.177 4.237) 6.432 9.428 ( -2.050 6.977 0.131) 7.273 14.137 ( -0.076 -7.867 2.693) 8.315 15.450 ( -0.010 0.365 2.716) 2.741 16.366 ( 0.369 -11.096 -3.805) 11.736 17.492 ( -4.503 11.185 -4.872) 13.004 ======================= Grid point 890 (417/860) ======================= q-point: ( 0.53 0.42 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 5.401 -1.062 2.461) 6.030 2.485 ( -9.160 -4.803 13.731) 17.191 2.958 ( -1.513 -49.393 2.128) 49.462 4.441 ( 2.116 -20.955 -1.995) 21.156 5.803 ( -2.281 0.986 -12.755) 12.995 7.047 ( 16.435 2.224 7.758) 18.310 7.186 ( -6.048 -3.058 5.245) 8.569 9.229 ( -2.569 12.889 -1.141) 13.191 14.329 ( -0.324 -12.035 2.333) 12.264 15.474 ( 0.946 -1.217 3.510) 3.833 16.588 ( 0.604 -12.764 -2.884) 13.099 17.170 ( -3.334 17.269 -3.907) 18.017 ======================= Grid point 891 (418/860) ======================= q-point: (-0.42 -0.58 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 4.688 -2.035 7.861) 9.376 2.644 ( -7.339 -16.499 10.123) 20.701 3.880 ( -1.213 -53.909 1.250) 53.937 4.863 ( 1.154 -25.390 -0.795) 25.429 5.702 ( -2.361 1.914 -11.219) 11.623 6.950 ( -2.524 10.302 2.893) 10.994 7.425 ( 7.420 -12.598 7.172) 16.285 8.928 ( -3.168 17.560 -1.872) 17.941 14.552 ( -0.205 -11.717 1.403) 11.802 15.546 ( 1.708 -3.790 3.993) 5.764 16.532 ( -0.734 21.196 -5.165) 21.828 17.037 ( 0.161 -7.923 2.116) 8.202 ======================= Grid point 892 (419/860) ======================= q-point: (-0.37 -0.58 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 2.181 -2.703 9.953) 10.541 3.057 ( -4.072 -29.673 9.025) 31.281 4.819 ( -1.507 -52.001 0.447) 52.025 5.317 ( -1.044 -24.389 -0.715) 24.422 5.605 ( -0.800 0.486 -9.126) 9.174 6.745 ( -5.117 9.789 1.841) 11.198 7.751 ( 6.081 -14.210 5.770) 16.498 8.545 ( -4.105 21.115 -2.104) 21.613 14.712 ( -0.092 -4.485 -0.470) 4.511 15.672 ( 1.987 -6.460 3.984) 7.845 16.049 ( -0.720 25.819 -3.010) 26.004 17.210 ( 2.227 -5.333 4.784) 7.502 ======================= Grid point 893 (420/860) ======================= q-point: (-0.32 -0.58 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 1.526 -4.499 9.387) 10.521 3.672 ( -3.090 -37.198 9.227) 38.449 5.360 ( -9.135 -2.385 -6.708) 11.582 5.737 ( 4.120 -38.234 -1.653) 38.491 5.830 ( 0.385 -23.431 -0.812) 23.448 6.581 ( -4.857 2.779 2.418) 6.096 8.010 ( 2.443 7.698 4.119) 9.066 8.155 ( -3.472 2.637 -1.776) 4.708 14.612 ( -0.488 16.291 -4.285) 16.853 15.685 ( -0.661 9.687 3.026) 10.170 15.858 ( 2.309 -8.032 1.911) 8.573 17.268 ( 3.108 4.421 6.287) 8.290 ======================= Grid point 894 (421/860) ======================= q-point: (-0.26 -0.58 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 1.416 -6.967 7.796) 10.551 4.362 ( -3.428 -37.778 8.497) 38.874 5.222 ( -7.307 4.197 -5.919) 10.298 6.113 ( -3.928 -5.408 -1.760) 6.912 6.265 ( 3.864 -19.400 -0.728) 19.795 6.813 ( -1.287 -30.643 3.995) 30.929 7.561 ( -4.566 26.474 -0.576) 26.872 8.377 ( 0.927 -13.433 1.380) 13.535 14.148 ( -0.821 29.398 -5.746) 29.965 15.643 ( -0.456 -0.689 5.922) 5.979 16.033 ( 1.226 -8.347 -0.252) 8.440 17.176 ( 3.738 11.780 6.985) 14.196 ======================= Grid point 895 (422/860) ======================= q-point: (-0.21 -0.58 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 1.470 -9.743 5.458) 11.263 4.920 ( -9.346 -17.245 -0.754) 19.629 5.126 ( -1.403 -9.134 3.462) 9.869 6.064 ( -2.717 3.065 -1.921) 4.524 6.610 ( 0.724 -16.847 1.272) 16.910 6.907 ( -2.113 29.143 3.654) 29.447 7.536 ( -1.169 -31.807 -0.959) 31.843 8.595 ( -0.303 -10.379 0.199) 10.386 13.602 ( -0.832 27.057 -4.768) 27.487 15.692 ( -0.964 -1.244 7.038) 7.211 16.137 ( -0.232 -3.143 -3.448) 4.671 17.017 ( 4.492 12.384 6.622) 14.744 ======================= Grid point 896 (423/860) ======================= q-point: (-0.16 -0.58 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 1.611 -11.478 2.981) 11.968 4.845 ( -9.358 2.605 -5.971) 11.402 5.479 ( -2.346 -16.259 5.243) 17.244 5.982 ( -1.216 3.460 -1.431) 3.937 6.353 ( -1.551 30.148 6.891) 30.964 6.891 ( 1.144 -12.197 1.433) 12.334 8.039 ( -0.049 -23.280 -1.007) 23.302 8.736 ( -1.193 -6.411 -0.963) 6.592 13.184 ( -0.828 16.316 -2.566) 16.538 15.725 ( -1.429 0.127 6.877) 7.025 16.104 ( -0.906 3.401 -4.190) 5.472 16.898 ( 4.414 8.101 3.243) 9.779 ======================= Grid point 897 (424/860) ======================= q-point: (-0.11 -0.58 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.517 ( 1.452 -8.142 1.817) 8.468 4.685 ( -10.614 1.778 -11.206) 15.537 5.607 ( -3.050 0.535 0.638) 3.161 5.879 ( 4.680 12.185 6.772) 14.704 5.995 ( 1.434 11.131 7.139) 13.302 7.068 ( -0.598 -6.246 1.698) 6.500 8.306 ( 0.508 -6.818 -1.608) 7.023 8.792 ( -1.476 -1.933 -2.089) 3.206 13.019 ( -1.144 0.397 0.569) 1.338 15.730 ( -1.360 1.707 5.744) 6.145 16.016 ( -0.522 2.338 -2.576) 3.518 16.807 ( 3.141 6.645 -2.239) 7.684 ======================= Grid point 898 (425/860) ======================= q-point: (-0.05 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.560 ( -1.632 5.956 0.994) 6.255 4.548 ( -7.971 -4.402 -15.764) 18.205 5.509 ( -0.332 9.993 0.411) 10.007 5.772 ( 10.638 9.126 12.595) 18.843 5.938 ( 2.242 2.051 4.806) 5.687 7.110 ( -1.857 1.080 1.536) 2.641 8.266 ( 1.046 10.869 -1.974) 11.096 8.763 ( -1.131 2.572 -3.152) 4.223 13.157 ( -2.004 -15.786 3.736) 16.346 15.669 ( -0.709 6.788 3.926) 7.873 16.044 ( 0.128 -6.558 -0.638) 6.590 16.684 ( 1.405 6.550 -7.082) 9.748 ======================= Grid point 908 (426/860) ======================= q-point: ( 0.47 0.47 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -3.813 0.000 2.436) 4.524 2.425 ( -1.700 0.000 13.218) 13.327 2.473 ( -3.585 0.000 3.250) 4.839 4.029 ( 2.873 -0.000 -3.857) 4.810 5.815 ( -1.004 0.000 -14.578) 14.612 6.971 ( 13.033 -0.000 10.447) 16.704 7.267 ( -2.254 0.000 6.719) 7.087 9.469 ( -2.709 0.000 -0.590) 2.773 14.077 ( -0.181 0.000 3.001) 3.006 15.467 ( 0.129 -0.000 2.831) 2.834 16.244 ( 0.389 -0.000 -4.706) 4.722 17.532 ( -3.616 0.000 -6.207) 7.184 ======================= Grid point 909 (427/860) ======================= q-point: (-0.47 -0.53 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -3.742 -33.758 1.655) 34.005 2.419 ( -11.341 -0.661 11.664) 16.282 2.513 ( 5.366 -1.360 5.380) 7.719 4.146 ( 2.413 -12.353 -3.223) 12.993 5.740 ( -0.826 0.408 -13.594) 13.625 7.106 ( -1.592 -3.429 8.297) 9.118 7.266 ( 6.670 4.521 7.631) 11.098 9.380 ( -2.443 7.118 -1.106) 7.606 14.159 ( -0.470 -7.573 2.946) 8.139 15.485 ( 0.811 -0.302 3.402) 3.510 16.337 ( 0.548 -11.941 -3.983) 12.599 17.380 ( -2.584 10.619 -6.586) 12.759 ======================= Grid point 910 (428/860) ======================= q-point: (-0.42 -0.53 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -8.634 -6.832 8.148) 13.697 2.546 ( 1.192 -3.288 8.483) 9.175 2.950 ( -1.757 -48.109 2.140) 48.189 4.452 ( 1.628 -21.053 -2.073) 21.217 5.657 ( -1.498 1.116 -11.968) 12.113 7.059 ( -11.186 5.035 6.018) 13.664 7.377 ( 10.708 -4.172 6.264) 13.088 9.171 ( -2.360 13.515 -1.264) 13.778 14.343 ( -0.570 -11.760 2.324) 12.001 15.530 ( 1.602 -1.833 3.940) 4.631 16.587 ( 1.912 -13.065 -1.550) 13.295 17.086 ( -1.489 14.744 -5.798) 15.913 ======================= Grid point 911 (429/860) ======================= q-point: (-0.37 -0.53 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -9.582 -13.423 12.403) 20.635 2.653 ( 3.153 -8.071 4.815) 9.913 3.864 ( -2.181 -54.023 1.412) 54.086 4.868 ( 0.455 -24.923 -1.210) 24.956 5.567 ( -2.044 1.359 -9.741) 10.046 6.864 ( -10.176 8.796 3.840) 13.988 7.601 ( 5.493 -10.442 4.024) 12.466 8.860 ( -2.845 18.533 -0.918) 18.773 14.560 ( -0.404 -11.394 1.373) 11.484 15.616 ( 2.172 -4.044 4.025) 6.105 16.483 ( -0.002 23.104 -4.088) 23.463 17.079 ( 3.214 -12.530 1.253) 12.997 ======================= Grid point 912 (430/860) ======================= q-point: (-0.32 -0.53 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -1.612 -3.912 9.076) 10.013 3.066 ( -4.463 -31.081 7.149) 32.204 4.779 ( -4.101 -48.769 0.880) 48.949 5.275 ( -1.629 -19.995 -2.955) 20.278 5.536 ( 0.486 -7.049 -4.974) 8.641 6.646 ( -8.683 8.024 2.187) 12.023 7.862 ( 1.619 -14.021 1.588) 14.203 8.468 ( -3.238 22.614 0.271) 22.846 14.706 ( -0.249 -3.056 -0.218) 3.074 15.742 ( 2.077 -5.810 3.773) 7.232 16.016 ( -0.102 23.836 -2.845) 24.005 17.313 ( 5.181 -6.173 4.460) 9.211 ======================= Grid point 913 (431/860) ======================= q-point: (-0.26 -0.53 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -1.241 -5.425 6.558) 8.601 3.684 ( -5.062 -38.209 6.893) 39.154 5.155 ( -9.935 -3.222 -2.534) 10.747 5.777 ( 3.858 -38.310 -4.173) 38.729 5.835 ( 0.244 -21.033 1.264) 21.072 6.505 ( -6.754 -0.969 2.260) 7.187 7.996 ( -7.066 20.872 -1.477) 22.085 8.143 ( 2.533 -9.612 2.729) 10.308 14.570 ( -0.357 18.560 -3.207) 18.838 15.701 ( -0.815 7.374 2.991) 7.999 15.908 ( 2.222 -7.046 0.730) 7.424 17.395 ( 5.653 4.596 5.612) 9.197 ======================= Grid point 914 (432/860) ======================= q-point: (-0.21 -0.53 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -1.312 -7.945 3.555) 8.803 4.343 ( -6.554 -36.489 4.548) 37.351 5.066 ( -7.414 1.497 -0.379) 7.573 6.053 ( -1.272 -3.518 -1.984) 4.235 6.303 ( 1.393 -19.050 -0.223) 19.102 6.814 ( -2.570 -35.349 2.917) 35.563 7.499 ( -4.304 27.338 2.272) 27.768 8.372 ( -1.408 -13.078 -1.271) 13.215 14.091 ( -0.475 29.924 -4.124) 30.211 15.686 ( -0.985 -1.674 5.813) 6.128 16.040 ( 0.840 -5.869 -1.795) 6.195 17.314 ( 5.791 11.955 5.653) 14.437 ======================= Grid point 915 (433/860) ======================= q-point: (-0.16 -0.53 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( -1.142 -11.069 0.476) 11.138 4.720 ( -10.930 -7.948 -3.550) 13.973 5.139 ( -3.281 -18.065 5.523) 19.173 6.023 ( -0.236 2.617 -1.357) 2.957 6.601 ( -3.460 -12.817 2.917) 13.593 6.962 ( 1.645 25.386 6.745) 26.319 7.506 ( -1.348 -34.530 -0.953) 34.570 8.557 ( -2.727 -10.712 -2.952) 11.441 13.554 ( -0.467 26.796 -3.102) 26.979 15.740 ( -1.499 -1.262 7.398) 7.653 16.091 ( -0.585 -1.294 -4.792) 4.998 17.155 ( 5.906 13.221 4.521) 15.170 ======================= Grid point 916 (434/860) ======================= q-point: (-0.11 -0.53 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( -0.078 -13.464 -1.235) 13.521 4.596 ( -11.875 4.410 -8.349) 15.172 5.462 ( -4.073 -14.467 3.360) 15.401 5.977 ( 1.026 2.503 -0.157) 2.709 6.452 ( 0.184 22.489 15.077) 27.076 6.923 ( 1.560 -9.192 0.522) 9.338 8.025 ( -0.336 -23.780 -1.277) 23.816 8.676 ( -3.166 -7.269 -4.145) 8.947 13.155 ( -0.559 15.640 -1.115) 15.690 15.766 ( -1.774 0.656 7.471) 7.707 16.042 ( -1.165 2.505 -5.487) 6.143 17.000 ( 5.286 11.272 1.523) 12.543 ======================= Grid point 917 (435/860) ======================= q-point: (-0.05 -0.53 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( 1.381 -8.947 0.767) 9.085 4.344 ( -13.215 3.434 -16.565) 21.467 5.588 ( -1.906 -1.879 3.106) 4.100 5.935 ( 1.285 3.597 -0.272) 3.829 6.229 ( 7.488 14.908 19.838) 25.921 7.064 ( -1.239 -5.272 0.742) 5.466 8.297 ( 0.311 -7.267 -1.834) 7.501 8.722 ( -2.862 -3.148 -5.031) 6.589 13.010 ( -1.080 -0.241 1.289) 1.699 15.761 ( -1.480 2.239 5.938) 6.517 15.974 ( -0.925 0.257 -3.820) 3.939 16.844 ( 3.854 10.794 -2.214) 11.673 ======================= Grid point 928 (436/860) ======================= q-point: (-0.47 -0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -5.474 0.000 2.037) 5.841 2.373 ( -12.613 0.000 10.717) 16.551 2.572 ( 4.252 -0.000 5.405) 6.877 4.037 ( 2.427 -0.000 -3.747) 4.464 5.677 ( -0.406 0.000 -13.015) 13.022 7.076 ( -8.327 0.000 8.335) 11.782 7.400 ( 7.160 -0.000 7.362) 10.270 9.428 ( -0.700 0.000 -0.180) 0.722 14.099 ( -0.678 0.000 3.265) 3.335 15.506 ( 1.051 -0.000 3.437) 3.594 16.201 ( -0.016 0.000 -5.093) 5.093 17.425 ( -1.671 0.000 -7.378) 7.565 ======================= Grid point 929 (437/860) ======================= q-point: (-0.42 -0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -5.319 -35.032 1.988) 35.489 2.320 ( -12.691 -1.590 9.362) 15.850 2.636 ( 2.623 -1.788 5.985) 6.775 4.152 ( 1.982 -12.457 -3.247) 13.025 5.608 ( -1.152 0.684 -11.402) 11.481 7.031 ( -12.651 0.470 8.399) 15.192 7.459 ( 5.355 1.251 3.586) 6.565 9.359 ( 0.858 8.424 1.089) 8.538 14.175 ( -0.874 -7.330 2.999) 7.968 15.539 ( 1.641 -0.754 3.722) 4.136 16.313 ( 0.981 -14.391 -3.504) 14.844 17.286 ( -0.856 10.355 -7.486) 12.806 ======================= Grid point 930 (438/860) ======================= q-point: (-0.37 -0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -11.674 -8.553 8.983) 17.033 2.606 ( -2.117 -10.214 4.982) 11.560 2.945 ( -1.570 -43.097 2.606) 43.204 4.455 ( 1.173 -20.962 -2.370) 21.128 5.529 ( -2.362 1.191 -8.665) 9.060 6.913 ( -13.639 4.848 6.887) 16.030 7.513 ( 1.767 -4.050 -0.424) 4.439 9.154 ( 0.464 15.914 1.927) 16.037 14.353 ( -0.861 -11.560 2.231) 11.805 15.598 ( 2.221 -2.208 3.676) 4.829 16.629 ( 3.738 -13.842 0.998) 14.372 17.014 ( 0.349 11.683 -7.517) 13.897 ======================= Grid point 931 (439/860) ======================= q-point: (-0.32 -0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -11.177 -19.029 10.642) 24.501 2.713 ( -1.067 -6.016 2.421) 6.572 3.836 ( -2.920 -53.643 1.697) 53.749 4.855 ( -0.185 -23.860 -1.887) 23.935 5.460 ( -2.546 -0.015 -4.698) 5.344 6.718 ( -11.574 7.607 3.840) 14.373 7.634 ( -2.654 -10.655 -2.928) 11.365 8.838 ( -0.715 20.480 2.844) 20.689 14.565 ( -0.674 -11.197 1.417) 11.306 15.689 ( 2.557 -4.105 3.318) 5.865 16.453 ( 0.373 25.001 -3.053) 25.190 17.173 ( 7.160 -16.678 1.083) 18.182 ======================= Grid point 932 (440/860) ======================= q-point: (-0.26 -0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -5.329 -5.840 6.536) 10.258 3.027 ( -6.722 -32.017 3.367) 32.888 4.709 ( -5.620 -42.683 1.934) 43.095 5.224 ( -0.909 -20.496 -2.847) 20.713 5.522 ( 0.314 -12.520 0.040) 12.524 6.519 ( -8.662 6.305 1.552) 10.826 7.798 ( -7.110 -13.471 -5.416) 16.167 8.467 ( -0.337 22.130 4.786) 22.644 14.700 ( -0.479 -2.038 0.250) 2.109 15.809 ( 2.108 -4.885 3.108) 6.162 15.991 ( 0.196 22.495 -2.647) 22.652 17.464 ( 8.615 -6.213 3.717) 11.253 ======================= Grid point 933 (441/860) ======================= q-point: (-0.21 -0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -4.966 -6.474 1.488) 8.294 3.630 ( -7.412 -38.915 3.860) 39.802 5.008 ( -8.309 -3.493 3.472) 9.659 5.786 ( 2.974 -32.953 -5.086) 33.475 5.863 ( 0.589 -25.525 2.702) 25.675 6.411 ( -6.936 -3.340 1.797) 7.905 7.822 ( -10.822 6.438 -3.113) 12.971 8.210 ( 1.493 3.434 2.784) 4.666 14.541 ( -0.308 20.049 -1.799) 20.132 15.712 ( -1.037 5.666 2.536) 6.293 15.944 ( 2.020 -5.517 -0.336) 5.885 17.554 ( 8.259 5.533 4.016) 10.721 ======================= Grid point 934 (442/860) ======================= q-point: (-0.16 -0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( -5.204 -9.456 -2.379) 11.052 4.248 ( -7.889 -33.613 2.251) 34.600 4.977 ( -6.309 -0.675 4.478) 7.766 6.035 ( 1.151 -2.778 -1.726) 3.467 6.307 ( -0.837 -17.417 0.128) 17.437 6.788 ( -3.158 -39.480 2.045) 39.658 7.455 ( -5.196 22.785 4.846) 23.867 8.310 ( -3.213 -11.103 -4.042) 12.245 14.056 ( -0.220 30.302 -2.108) 30.376 15.717 ( -1.528 -2.846 4.971) 5.928 16.029 ( 0.578 -3.181 -2.749) 4.244 17.466 ( 7.605 12.764 3.264) 15.212 ======================= Grid point 935 (443/860) ======================= q-point: (-0.11 -0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( -4.378 -13.731 -5.078) 15.281 4.530 ( -9.235 -3.086 -1.048) 9.793 5.111 ( -5.298 -19.066 3.568) 20.108 6.028 ( 1.714 2.166 -0.577) 2.821 6.571 ( -4.184 -12.028 4.481) 13.501 7.061 ( 1.351 19.938 8.672) 21.784 7.476 ( -1.332 -36.109 -0.822) 36.143 8.454 ( -4.563 -11.080 -6.127) 13.458 13.530 ( -0.187 26.681 -0.943) 26.698 15.778 ( -1.987 -1.903 6.753) 7.292 16.032 ( -0.707 0.571 -5.393) 5.469 17.290 ( 6.962 14.487 1.663) 16.159 ======================= Grid point 936 (444/860) ======================= q-point: (-0.05 -0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -1.824 -18.104 -5.553) 19.024 4.332 ( -11.419 10.889 -6.346) 17.007 5.423 ( -3.952 -15.560 2.710) 16.282 6.000 ( 1.667 2.590 0.241) 3.089 6.610 ( 0.028 9.952 16.634) 19.384 6.957 ( 1.841 -3.207 1.411) 3.958 8.005 ( -0.509 -24.197 -1.518) 24.250 8.561 ( -4.355 -8.420 -6.900) 11.725 13.146 ( -0.387 15.446 0.779) 15.470 15.804 ( -2.017 0.764 7.194) 7.511 15.967 ( -1.220 1.998 -6.167) 6.596 17.095 ( 5.818 13.745 -0.646) 14.940 ======================= Grid point 948 (445/860) ======================= q-point: (-0.42 -0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -7.331 0.000 2.291) 7.681 2.245 ( -14.174 0.000 8.777) 16.671 2.662 ( 0.390 -0.000 4.839) 4.855 4.038 ( 2.019 -0.000 -3.716) 4.229 5.554 ( -1.796 0.000 -9.688) 9.853 6.969 ( -13.342 0.000 8.707) 15.931 7.500 ( -0.725 0.000 -0.313) 0.789 9.478 ( 5.149 -0.000 4.451) 6.806 14.115 ( -1.135 0.000 3.270) 3.461 15.564 ( 1.995 -0.000 3.697) 4.201 16.150 ( -0.400 0.000 -4.986) 5.002 17.341 ( -0.146 0.000 -7.450) 7.451 ======================= Grid point 949 (446/860) ======================= q-point: (-0.37 -0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -6.952 -36.812 2.586) 37.552 2.179 ( -14.538 -2.341 8.016) 16.766 2.693 ( -1.746 -2.552 3.990) 5.048 4.150 ( 1.616 -12.456 -3.369) 13.005 5.489 ( -3.048 0.696 -6.623) 7.324 6.887 ( -14.036 1.463 8.254) 16.349 7.457 ( -4.848 -0.223 -5.418) 7.273 9.449 ( 6.027 11.882 6.239) 14.711 14.185 ( -1.252 -7.142 2.837) 7.786 15.606 ( 2.417 -0.837 3.360) 4.223 16.308 ( 1.995 -19.124 -2.363) 19.372 17.213 ( 0.332 10.494 -7.194) 12.727 ======================= Grid point 950 (447/860) ======================= q-point: (-0.32 -0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -13.728 -10.583 8.023) 19.100 2.565 ( -6.678 -16.491 2.018) 17.906 2.937 ( -2.803 -38.738 2.508) 38.920 4.447 ( 0.828 -20.642 -2.685) 20.832 5.426 ( -3.823 0.589 -1.992) 4.351 6.753 ( -12.953 4.994 5.647) 14.987 7.419 ( -7.884 -5.874 -8.361) 12.906 9.222 ( 2.765 20.185 5.917) 21.215 14.357 ( -1.182 -11.464 2.105) 11.715 15.668 ( 2.740 -2.339 2.684) 4.493 16.734 ( 5.808 -11.759 4.853) 13.984 16.959 ( 2.629 4.932 -9.233) 10.793 ======================= Grid point 951 (448/860) ======================= q-point: (-0.26 -0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -12.082 -22.927 8.593) 27.303 2.649 ( -7.181 -5.765 -1.664) 9.358 3.802 ( -3.371 -53.150 2.038) 53.296 4.831 ( -0.455 -22.599 -1.754) 22.672 5.407 ( -2.886 -2.179 3.066) 4.741 6.568 ( -9.894 6.572 1.610) 11.986 7.464 ( -10.593 -11.976 -8.831) 18.266 8.875 ( -0.392 22.253 5.560) 22.941 14.565 ( -1.022 -11.145 1.544) 11.298 15.759 ( 2.905 -4.012 2.027) 5.351 16.436 ( 0.433 26.396 -2.134) 26.486 17.338 ( 11.767 -19.157 1.303) 22.520 ======================= Grid point 952 (449/860) ======================= q-point: (-0.21 -0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -9.078 -5.628 0.239) 10.684 2.915 ( -9.407 -35.079 2.504) 36.404 4.645 ( -4.943 -38.815 3.321) 39.269 5.200 ( -0.350 -23.172 -0.028) 23.175 5.540 ( -0.616 -13.871 4.010) 14.452 6.398 ( -6.610 4.729 -0.641) 8.153 7.563 ( -12.576 -13.486 -8.354) 20.244 8.509 ( -1.353 20.516 5.423) 21.263 14.695 ( -0.812 -1.532 0.815) 1.916 15.868 ( 2.340 -4.265 1.838) 5.201 15.972 ( 0.116 22.288 -1.963) 22.374 17.662 ( 12.004 -4.902 2.234) 13.157 ======================= Grid point 953 (450/860) ======================= q-point: (-0.16 -0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -9.615 -7.718 -4.663) 13.181 3.534 ( -7.772 -39.673 3.438) 40.573 4.945 ( -6.021 -3.362 7.237) 9.996 5.785 ( 1.549 -31.539 -3.202) 31.739 5.895 ( 0.393 -26.964 2.085) 27.047 6.320 ( -5.442 -4.218 1.085) 6.970 7.603 ( -11.989 -3.059 -2.872) 12.702 8.228 ( -1.820 9.394 1.193) 9.643 14.526 ( -0.358 20.701 -0.246) 20.705 15.714 ( -1.228 4.765 1.759) 5.226 15.969 ( 1.842 -3.797 -1.037) 4.346 17.734 ( 10.401 7.359 1.410) 12.819 ======================= Grid point 954 (451/860) ======================= q-point: (-0.11 -0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -9.000 -11.689 -7.215) 16.422 4.155 ( -6.361 -32.317 3.342) 33.106 4.919 ( -6.621 0.542 4.539) 8.046 6.054 ( 2.687 -2.872 -1.130) 4.092 6.281 ( -2.589 -16.540 0.479) 16.748 6.756 ( -2.682 -41.431 1.563) 41.547 7.422 ( -5.437 14.363 7.222) 16.971 8.191 ( -5.156 -8.174 -6.836) 11.838 14.045 ( -0.052 30.416 0.155) 30.416 15.726 ( -2.004 -3.880 3.111) 5.362 16.012 ( 0.527 -0.664 -2.626) 2.759 17.617 ( 8.805 14.127 -0.020) 16.647 ======================= Grid point 955 (452/860) ======================= q-point: (-0.05 -0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( -6.671 -17.291 -8.208) 20.270 4.397 ( -7.646 2.869 1.552) 8.313 5.040 ( -5.934 -20.890 1.347) 21.758 6.060 ( 2.526 2.241 -0.383) 3.399 6.550 ( -3.584 -14.154 4.752) 15.354 7.164 ( 0.475 15.395 10.108) 18.423 7.448 ( -1.177 -36.442 -0.618) 36.466 8.298 ( -5.795 -11.985 -8.735) 15.922 13.531 ( -0.011 26.665 1.535) 26.709 15.794 ( -2.432 -3.251 3.613) 5.435 15.977 ( -0.495 2.679 -3.552) 4.476 17.409 ( 7.432 15.871 -1.762) 17.614 ======================= Grid point 968 (453/860) ======================= q-point: (-0.37 -0.37 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -9.313 0.000 3.296) 9.879 2.073 ( -16.108 0.000 7.455) 17.749 2.662 ( -5.061 0.000 2.827) 5.797 4.034 ( 1.687 -0.000 -3.764) 4.125 5.441 ( -4.206 0.000 -3.519) 5.484 6.825 ( -13.266 0.000 7.890) 15.435 7.357 ( -10.445 0.000 -10.064) 14.505 9.680 ( 10.726 -0.000 9.675) 14.445 14.123 ( -1.508 0.000 2.971) 3.332 15.638 ( 2.918 -0.000 3.238) 4.359 16.096 ( -0.724 0.000 -4.355) 4.415 17.282 ( 0.725 -0.000 -5.971) 6.015 ======================= Grid point 969 (454/860) ======================= q-point: (-0.32 -0.37 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -8.669 -38.090 2.957) 39.176 1.997 ( -16.340 -3.585 7.160) 18.197 2.645 ( -7.619 -3.668 1.927) 8.672 4.143 ( 1.376 -12.397 -3.491) 12.952 5.394 ( -5.009 0.083 1.123) 5.134 6.739 ( -12.290 2.143 6.317) 13.984 7.214 ( -13.256 -2.107 -13.376) 18.950 9.648 ( 8.279 17.801 9.222) 21.690 14.187 ( -1.569 -7.034 2.499) 7.628 15.677 ( 3.003 -0.546 2.166) 3.743 16.340 ( 4.044 -26.820 -1.224) 27.150 17.165 ( 0.845 11.068 -4.881) 12.126 ======================= Grid point 970 (455/860) ======================= q-point: (-0.26 -0.37 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -15.215 -13.053 5.743) 20.853 2.429 ( -11.193 -15.733 0.053) 19.308 2.895 ( -5.313 -40.978 2.969) 41.428 4.435 ( 0.803 -20.334 -2.572) 20.512 5.378 ( -4.593 -0.866 6.889) 8.324 6.596 ( -10.470 5.206 1.202) 11.754 7.130 ( -14.275 -8.491 -12.359) 20.704 9.322 ( 1.138 25.344 6.722) 26.245 14.354 ( -1.498 -11.472 2.062) 11.752 15.736 ( 3.205 -2.342 1.282) 4.171 16.859 ( 1.237 19.582 1.433) 19.673 16.984 ( 12.367 -31.236 -3.094) 33.737 ======================= Grid point 971 (456/860) ======================= q-point: (-0.21 -0.37 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -12.419 -26.503 2.284) 29.357 2.462 ( -13.221 -5.588 -0.517) 14.363 3.765 ( -3.693 -53.201 2.531) 53.389 4.817 ( 0.134 -22.338 -0.381) 22.342 5.421 ( -3.464 -3.330 10.562) 11.603 6.422 ( -7.172 4.882 -3.580) 9.386 7.160 ( -14.655 -13.657 -9.968) 22.375 8.900 ( -3.401 23.443 5.141) 24.240 14.560 ( -1.406 -11.167 1.785) 11.396 15.821 ( 3.272 -3.732 0.334) 4.975 16.427 ( 0.357 26.926 -1.100) 26.951 17.580 ( 16.373 -18.861 1.022) 24.997 ======================= Grid point 972 (457/860) ======================= q-point: (-0.16 -0.37 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -13.913 -7.381 -7.581) 17.479 2.801 ( -9.177 -36.403 5.981) 38.016 4.610 ( -3.429 -38.893 3.518) 39.202 5.210 ( -0.275 -23.524 2.911) 23.705 5.563 ( -3.216 -12.680 6.429) 14.576 6.296 ( -3.024 2.371 -3.570) 5.245 7.265 ( -13.947 -15.697 -7.523) 22.305 8.503 ( -4.919 19.813 3.664) 20.741 14.689 ( -1.205 -1.511 1.391) 2.381 15.913 ( 2.984 -2.755 -2.769) 4.915 15.965 ( -0.397 21.831 2.200) 21.945 17.890 ( 14.615 -1.970 -0.323) 14.750 ======================= Grid point 973 (458/860) ======================= q-point: (-0.11 -0.37 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -13.186 -9.859 -8.053) 18.328 3.453 ( -6.573 -40.510 4.303) 41.264 4.924 ( -5.183 -1.468 6.659) 8.565 5.766 ( -2.351 -31.663 -0.456) 31.753 5.908 ( 0.226 -27.665 -0.377) 27.669 6.272 ( -1.245 -4.430 1.502) 4.840 7.395 ( -10.530 -11.587 -1.251) 15.707 8.168 ( -5.717 12.930 -0.834) 14.163 14.524 ( -0.500 20.445 1.311) 20.493 15.705 ( -1.286 4.847 0.839) 5.085 15.987 ( 1.729 -2.175 -1.333) 3.082 17.912 ( 11.568 9.924 -2.126) 15.389 ======================= Grid point 974 (459/860) ======================= q-point: (-0.05 -0.37 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -10.743 -14.581 -8.037) 19.815 4.101 ( -4.816 -32.619 4.152) 33.233 4.832 ( -7.798 3.790 1.946) 8.886 6.092 ( 2.625 -4.403 -0.880) 5.201 6.240 ( -2.660 -16.614 0.558) 16.835 6.734 ( -1.659 -40.785 1.568) 40.849 7.422 ( -3.880 5.697 9.567) 11.791 8.012 ( -7.455 -5.756 -9.598) 13.447 14.057 ( 0.001 30.171 2.546) 30.278 15.708 ( -2.220 -3.996 0.454) 4.594 16.001 ( 0.587 0.896 -1.509) 1.851 17.747 ( 9.110 15.792 -3.916) 18.647 ======================= Grid point 988 (460/860) ======================= q-point: (-0.32 -0.32 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -11.309 0.000 5.181) 12.439 1.858 ( -18.069 0.000 6.240) 19.116 2.546 ( -11.692 0.000 1.957) 11.854 4.023 ( 1.458 -0.000 -3.892) 4.156 5.362 ( -5.992 0.000 4.948) 7.771 6.691 ( -10.940 0.000 5.226) 12.125 7.001 ( -16.543 0.000 -16.363) 23.268 9.974 ( 12.661 -0.000 10.437) 16.408 14.121 ( -1.760 0.000 2.360) 2.944 15.716 ( 3.675 -0.000 1.694) 4.047 16.047 ( -0.955 0.000 -3.234) 3.372 17.256 ( 0.981 -0.000 -2.238) 2.443 ======================= Grid point 989 (461/860) ======================= q-point: (-0.26 -0.32 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -14.485 -20.262 2.585) 25.041 1.803 ( -13.734 -23.021 6.827) 27.663 2.487 ( -13.936 -5.711 2.775) 15.314 4.132 ( 1.354 -12.518 -3.533) 13.077 5.356 ( -5.882 -1.234 10.039) 11.700 6.581 ( -12.365 3.138 -3.031) 13.112 6.833 ( -14.628 -4.317 -11.475) 19.086 9.852 ( 6.115 26.188 7.399) 27.891 14.181 ( -1.779 -7.093 2.137) 7.619 15.742 ( 3.423 -0.339 0.578) 3.488 16.418 ( 7.395 -36.987 -2.300) 37.789 17.158 ( 0.978 11.394 1.111) 11.490 ======================= Grid point 990 (462/860) ======================= q-point: (-0.21 -0.32 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -16.032 -15.351 2.103) 22.296 2.208 ( -15.744 -12.158 0.652) 19.902 2.829 ( -7.133 -46.187 5.477) 47.054 4.429 ( 1.295 -20.551 -2.139) 20.702 5.405 ( -4.929 -2.293 15.272) 16.211 6.384 ( -12.038 1.963 -12.246) 17.284 6.802 ( -12.242 -7.950 -5.210) 15.499 9.356 ( -3.934 29.995 4.279) 30.553 14.347 ( -1.742 -11.531 2.252) 11.878 15.797 ( 3.670 -2.220 -0.254) 4.296 16.845 ( 1.291 17.575 -5.085) 18.342 17.263 ( 18.242 -32.875 5.481) 37.995 ======================= Grid point 991 (463/860) ======================= q-point: (-0.16 -0.32 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -14.595 -20.244 -8.497) 26.363 2.265 ( -14.921 -15.292 8.691) 23.065 3.731 ( -3.859 -53.740 3.488) 53.992 4.829 ( 1.280 -23.189 0.455) 23.228 5.468 ( -6.442 -1.292 14.731) 16.130 6.252 ( -5.207 -2.062 -11.421) 12.720 6.853 ( -12.738 -12.202 -4.835) 18.290 8.847 ( -7.861 23.558 2.895) 25.003 14.553 ( -1.734 -11.135 2.169) 11.476 15.871 ( 3.554 -3.079 -1.813) 5.040 16.429 ( 0.346 26.575 0.509) 26.582 17.881 ( 19.993 -15.302 -0.883) 25.193 ======================= Grid point 992 (464/860) ======================= q-point: (-0.11 -0.32 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -16.446 -10.201 -8.701) 21.219 2.720 ( -8.352 -37.014 6.939) 38.574 4.594 ( -2.210 -40.342 2.810) 40.500 5.233 ( -1.537 -20.098 4.098) 20.569 5.526 ( -7.650 -12.130 3.468) 14.754 6.254 ( 2.498 -1.990 -3.136) 4.476 6.994 ( -12.036 -17.963 -3.900) 21.971 8.415 ( -8.546 19.287 1.254) 21.132 14.682 ( -1.560 -1.828 1.930) 3.082 15.908 ( 2.020 6.760 -5.846) 9.163 16.007 ( 0.671 13.770 5.104) 14.700 18.121 ( 15.700 2.319 -4.112) 16.394 ======================= Grid point 993 (465/860) ======================= q-point: (-0.05 -0.32 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -14.011 -12.645 -6.684) 20.022 3.396 ( -5.497 -41.351 4.344) 41.941 4.881 ( -6.130 2.605 3.080) 7.338 5.694 ( -6.260 -33.251 0.890) 33.847 5.903 ( 1.313 -28.949 -3.241) 29.159 6.309 ( 2.518 -3.859 3.287) 5.660 7.249 ( -7.171 -19.517 1.167) 20.825 8.030 ( -8.827 15.572 -2.573) 18.084 14.533 ( -0.723 19.274 2.764) 19.485 15.689 ( -1.166 5.855 0.013) 5.970 16.002 ( 1.645 -0.750 -1.346) 2.254 18.063 ( 11.414 12.781 -6.315) 18.262 ======================= Grid point 1008 (466/860) ======================= q-point: (-0.26 -0.26 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -13.131 0.000 8.084) 15.420 1.602 ( -19.605 0.000 5.127) 20.264 2.328 ( -18.241 0.000 4.833) 18.870 4.009 ( 1.347 -0.000 -4.096) 4.311 5.344 ( -6.527 0.000 13.124) 14.657 6.418 ( -20.697 0.000 -17.867) 27.342 6.694 ( -6.142 0.000 1.542) 6.333 10.254 ( 11.600 -0.000 5.326) 12.764 14.109 ( -1.867 0.000 1.489) 2.388 15.784 ( 4.088 -0.000 -0.857) 4.177 16.007 ( -1.064 0.000 -1.736) 2.036 17.281 ( 1.043 -0.000 4.512) 4.631 ======================= Grid point 1009 (467/860) ======================= q-point: (-0.21 -0.26 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -18.368 -8.417 2.812) 20.399 1.656 ( -12.541 -33.452 5.893) 36.208 2.267 ( -18.691 -10.544 8.754) 23.177 4.122 ( 1.634 -13.142 -3.614) 13.728 5.390 ( -5.825 -3.044 17.484) 18.678 6.151 ( -21.667 -1.316 -22.497) 31.261 6.679 ( -3.295 -0.338 4.175) 5.330 9.952 ( 0.190 36.539 1.154) 36.558 14.171 ( -1.802 -7.462 1.974) 7.927 15.800 ( 3.871 -0.540 -0.875) 4.006 16.525 ( 11.110 -45.087 -8.176) 47.150 17.241 ( 2.606 7.389 12.111) 14.425 ======================= Grid point 1010 (468/860) ======================= q-point: (-0.16 -0.26 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -16.335 -15.894 -1.600) 22.848 1.950 ( -18.724 -11.587 5.761) 22.761 2.773 ( -7.767 -50.163 8.718) 51.504 4.438 ( 2.149 -21.351 -2.127) 21.564 5.485 ( -7.000 -0.740 20.199) 21.390 5.964 ( -15.936 -10.005 -22.889) 29.631 6.677 ( -3.323 -0.531 2.930) 4.462 9.260 ( -10.496 32.061 0.268) 33.736 14.341 ( -1.841 -11.536 2.720) 11.995 15.849 ( 3.970 -1.791 -2.061) 4.818 16.824 ( 1.985 14.373 -4.757) 15.270 17.658 ( 23.592 -30.010 4.908) 38.487 ======================= Grid point 1011 (469/860) ======================= q-point: (-0.11 -0.26 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -16.779 -15.149 -7.883) 23.941 2.127 ( -13.424 -23.912 11.068) 29.572 3.707 ( -3.672 -54.277 4.806) 54.613 4.862 ( 2.290 -24.287 -0.107) 24.395 5.412 ( -14.202 3.476 4.807) 15.391 6.093 ( -1.270 -16.929 -5.758) 17.926 6.682 ( -6.195 -4.332 0.721) 7.593 8.700 ( -11.603 22.047 0.184) 24.914 14.545 ( -1.919 -10.932 2.658) 11.413 15.900 ( 3.482 -1.852 -4.399) 5.908 16.451 ( 0.511 25.421 2.836) 25.584 18.197 ( 21.343 -8.865 -5.208) 23.691 ======================= Grid point 1012 (470/860) ======================= q-point: (-0.05 -0.26 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -16.019 -12.532 -4.697) 20.874 2.656 ( -7.309 -38.099 7.039) 39.428 4.588 ( -1.277 -40.567 1.901) 40.631 5.188 ( -9.406 -8.191 1.292) 12.539 5.413 ( -3.684 -23.685 -2.505) 24.101 6.324 ( 6.202 -4.348 1.611) 7.743 6.808 ( -8.901 -18.972 0.678) 20.967 8.256 ( -10.512 18.505 -1.014) 21.306 14.674 ( -1.787 -2.278 2.392) 3.756 15.880 ( 1.498 8.081 -6.114) 10.243 16.072 ( 1.128 14.005 5.498) 15.088 18.312 ( 14.710 7.016 -8.929) 18.583 ======================= Grid point 1028 (471/860) ======================= q-point: (-0.21 -0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -14.451 0.000 12.043) 18.811 1.321 ( -20.097 0.000 4.791) 20.660 2.064 ( -23.269 0.000 12.451) 26.391 3.992 ( 1.363 -0.000 -4.365) 4.573 5.384 ( -6.490 0.000 16.536) 17.764 5.844 ( -23.521 0.000 -22.230) 32.363 6.705 ( 0.730 -0.000 8.058) 8.091 10.417 ( 8.059 -0.000 -6.980) 10.662 14.088 ( -1.819 0.000 0.476) 1.880 15.832 ( 4.116 -0.000 -3.116) 5.162 15.981 ( -1.034 0.000 -0.050) 1.035 17.390 ( 2.114 -0.000 14.302) 14.458 ======================= Grid point 1029 (472/860) ======================= q-point: (-0.16 -0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -18.612 -6.797 3.474) 20.116 1.496 ( -14.599 -28.655 7.491) 33.021 2.070 ( -19.866 -19.797 17.819) 33.227 4.118 ( 2.237 -14.359 -4.026) 15.080 5.471 ( -7.283 -9.889 8.608) 14.998 5.566 ( -20.738 1.409 -12.772) 24.396 6.734 ( 2.487 3.166 8.453) 9.363 9.851 ( -9.319 45.822 -8.028) 47.444 14.161 ( -1.564 -8.200 2.041) 8.594 15.851 ( 4.166 -0.602 -2.420) 4.855 16.611 ( 12.268 -43.874 -14.730) 47.879 17.497 ( 9.842 -5.785 21.382) 24.239 ======================= Grid point 1030 (473/860) ======================= q-point: (-0.11 -0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -16.406 -14.005 -1.085) 21.598 1.726 ( -18.531 -14.851 12.500) 26.837 2.742 ( -7.471 -52.311 11.496) 54.078 4.456 ( 2.849 -22.237 -3.005) 22.619 5.315 ( -19.577 -0.531 -17.016) 25.944 5.728 ( -3.309 -16.764 14.770) 22.586 6.705 ( 1.628 5.255 4.856) 7.338 9.024 ( -16.044 29.290 -3.426) 33.572 14.339 ( -1.785 -11.410 3.259) 12.000 15.884 ( 3.814 -0.967 -4.263) 5.801 16.824 ( 2.402 11.886 -3.014) 12.496 18.096 ( 26.732 -22.647 -1.474) 35.067 ======================= Grid point 1031 (474/860) ======================= q-point: (-0.05 -0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -15.822 -13.991 -1.231) 21.156 2.034 ( -11.123 -28.223 12.276) 32.725 3.702 ( -3.105 -54.491 5.980) 54.906 4.895 ( 2.460 -25.546 -1.695) 25.720 5.102 ( -16.693 -0.073 -12.474) 20.839 6.127 ( 0.537 -21.609 11.250) 24.368 6.639 ( -1.179 3.422 1.794) 4.040 8.486 ( -12.730 19.019 -2.173) 22.989 14.540 ( -1.940 -10.536 3.096) 11.152 15.900 ( 2.951 -0.281 -6.811) 7.428 16.500 ( 0.729 23.777 5.299) 24.372 18.454 ( 19.063 -1.447 -11.767) 22.449 ======================= Grid point 1048 (475/860) ======================= q-point: (-0.16 -0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -19.434 0.000 6.094) 20.367 1.055 ( -14.743 0.000 16.722) 22.293 1.827 ( -25.404 0.000 23.605) 34.678 3.973 ( 1.506 -0.000 -4.682) 4.919 5.147 ( -20.132 0.000 -27.561) 34.130 5.556 ( -7.836 0.000 23.130) 24.421 6.870 ( 7.179 -0.000 14.386) 16.078 10.330 ( -1.142 0.000 -27.509) 27.533 14.060 ( -1.616 0.000 -0.516) 1.697 15.868 ( 4.173 -0.000 -2.987) 5.132 15.973 ( -0.864 0.000 1.587) 1.807 17.637 ( 6.747 -0.000 23.928) 24.861 ======================= Grid point 1049 (476/860) ======================= q-point: (-0.11 -0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -17.551 -5.936 6.527) 19.643 1.336 ( -16.098 -22.137 13.705) 30.611 1.963 ( -17.488 -29.002 24.867) 42.015 4.119 ( 2.875 -15.729 -5.177) 16.807 4.923 ( -19.528 -7.878 -30.293) 36.892 5.647 ( -4.725 -3.754 27.051) 27.716 6.916 ( 7.541 9.665 12.817) 17.736 9.487 ( -21.241 45.972 -15.657) 53.007 14.158 ( -1.174 -9.198 1.829) 9.451 15.887 ( 3.814 -0.105 -4.254) 5.714 16.653 ( 10.501 -38.506 -15.829) 42.937 17.934 ( 19.845 -15.749 16.321) 30.137 ======================= Grid point 1050 (477/860) ======================= q-point: (-0.05 -0.16 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -14.495 -12.249 5.710) 19.818 1.592 ( -15.107 -18.431 18.149) 29.955 2.744 ( -6.521 -52.978 13.395) 55.033 4.461 ( 1.474 -22.347 -5.726) 23.116 4.805 ( -15.000 -9.141 -25.566) 31.019 5.884 ( -2.180 -12.711 24.551) 27.732 6.804 ( 3.728 11.565 6.076) 13.585 8.702 ( -17.208 21.389 -5.296) 27.958 14.343 ( -1.665 -11.257 3.457) 11.893 15.891 ( 3.115 0.083 -6.440) 7.154 16.846 ( 2.484 9.208 -0.966) 9.586 18.449 ( 22.869 -12.125 -12.636) 28.804 ======================= Grid point 1068 (478/860) ======================= q-point: (-0.11 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -18.402 0.000 9.462) 20.692 0.999 ( -13.461 0.000 21.044) 24.981 1.701 ( -22.763 0.000 34.867) 41.640 3.954 ( 1.767 -0.000 -5.015) 5.318 4.544 ( -17.882 0.000 -31.833) 36.512 5.707 ( -4.212 0.000 28.020) 28.335 7.218 ( 16.849 -0.000 17.724) 24.455 9.809 ( -21.928 0.000 -43.618) 48.819 14.027 ( -1.279 0.000 -1.328) 1.843 15.918 ( 4.320 -0.000 -1.516) 4.579 15.982 ( -0.568 0.000 2.951) 3.005 18.035 ( 13.670 -0.000 21.223) 25.244 ======================= Grid point 1069 (479/860) ======================= q-point: (-0.05 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -14.423 -7.071 12.135) 20.131 1.256 ( -13.196 -19.024 21.302) 31.461 1.959 ( -13.759 -32.299 28.790) 45.402 4.101 ( 1.221 -14.959 -8.612) 17.304 4.363 ( -12.865 -11.075 -29.879) 34.365 5.848 ( -2.209 -4.428 28.312) 28.741 7.202 ( 11.321 22.059 12.975) 27.984 8.924 ( -27.278 29.308 -14.480) 42.576 14.154 ( -0.959 -10.506 0.786) 10.578 15.894 ( 2.762 0.798 -5.688) 6.373 16.661 ( 7.278 -35.843 -13.722) 39.064 18.336 ( 17.220 -12.091 -1.346) 21.084 ======================= Grid point 1088 (480/860) ======================= q-point: (-0.05 -0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -12.416 0.000 15.541) 19.892 1.011 ( -10.632 0.000 23.503) 25.796 1.739 ( -16.332 0.000 41.063) 44.192 3.937 ( 2.127 -0.000 -5.325) 5.734 3.994 ( -11.889 0.000 -33.092) 35.162 5.932 ( -0.673 0.000 28.618) 28.626 7.697 ( 24.838 -0.000 5.745) 25.494 8.934 ( -36.497 0.000 -28.181) 46.111 13.994 ( -0.840 0.000 -1.852) 2.034 15.964 ( 2.470 -0.000 -1.748) 3.026 16.008 ( -0.177 0.000 3.881) 3.885 18.348 ( 6.445 -0.000 5.378) 8.394 ======================= Grid point 1089 (481/860) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 4.974 -0.000 21.324) 21.896 1.509 ( -5.399 0.000 17.061) 17.895 2.617 ( -4.510 0.000 17.972) 18.529 2.925 ( -7.493 0.000 -18.956) 20.383 3.801 ( 2.661 -0.000 -5.942) 6.510 6.699 ( 2.346 -0.000 19.700) 19.839 7.648 ( -0.718 0.000 -11.013) 11.037 8.271 ( -0.168 0.000 -8.241) 8.243 13.927 ( -0.291 0.000 -1.630) 1.656 15.914 ( -0.823 0.000 -1.815) 1.993 16.132 ( 0.219 -0.000 3.608) 3.615 18.435 ( -2.929 0.000 2.952) 4.158 ======================= Grid point 1090 (482/860) ======================= q-point: ( 0.05 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 9.813 -12.271 22.543) 27.478 1.854 ( -3.412 -29.014 17.060) 33.831 2.693 ( 1.222 -8.341 -2.167) 8.704 2.865 ( -6.189 -5.245 -6.574) 10.441 3.957 ( 2.309 -17.074 -5.461) 18.075 6.829 ( 3.179 -2.372 16.103) 16.584 7.407 ( -2.564 16.841 -2.401) 17.203 8.199 ( 4.319 6.073 -9.090) 11.755 14.067 ( -0.483 -14.421 -2.092) 14.580 15.736 ( -0.562 8.667 -3.095) 9.220 16.521 ( -0.466 -29.111 -0.521) 29.119 18.310 ( -4.017 11.974 1.286) 12.695 ======================= Grid point 1091 (483/860) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 7.800 -13.744 21.366) 26.575 2.399 ( -0.009 -17.537 24.253) 29.929 2.925 ( 1.758 -19.519 -27.213) 33.535 3.067 ( 0.953 -30.449 1.604) 30.506 4.340 ( 1.199 -25.680 -3.337) 25.923 6.919 ( -0.106 5.069 6.275) 8.067 7.167 ( 2.164 5.291 9.661) 11.226 8.045 ( 5.692 10.996 -8.812) 15.198 14.328 ( -1.269 -15.258 -0.551) 15.321 15.600 ( -0.254 4.372 -5.169) 6.775 16.966 ( -1.006 -18.950 1.226) 19.017 17.980 ( -4.320 19.146 -5.441) 20.368 ======================= Grid point 1092 (484/860) ======================= q-point: ( 0.16 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 3.402 -11.894 12.253) 17.412 2.695 ( -0.440 -9.778 14.637) 17.608 3.282 ( 8.657 -25.612 -12.102) 29.620 3.794 ( 2.818 -46.058 -5.496) 46.470 4.818 ( 0.524 -27.902 -0.392) 27.910 6.746 ( -2.489 10.122 2.027) 10.619 7.314 ( 5.813 -6.556 12.520) 15.281 7.831 ( 6.600 13.588 -9.277) 17.727 14.553 ( -1.681 -11.104 1.230) 11.298 15.530 ( -0.067 0.562 -5.159) 5.190 17.072 ( -1.891 14.139 13.238) 19.461 17.619 ( -3.894 6.309 -18.573) 19.998 ======================= Grid point 1093 (485/860) ======================= q-point: ( 0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 0.148 -10.273 0.811) 10.306 2.987 ( -1.232 -20.103 6.205) 21.075 3.777 ( 12.790 -21.792 0.556) 25.274 4.597 ( 3.050 -43.888 -6.761) 44.510 5.316 ( 1.249 -26.955 2.542) 27.104 6.596 ( -2.433 5.031 1.575) 5.807 7.446 ( 10.668 13.794 9.278) 19.753 7.696 ( 2.828 -7.206 -8.445) 11.456 14.707 ( -1.486 -7.077 2.540) 7.664 15.534 ( 0.069 -3.389 -3.693) 5.013 16.604 ( -2.993 35.661 6.905) 36.446 17.503 ( -2.900 0.637 -12.756) 13.097 ======================= Grid point 1094 (486/860) ======================= q-point: ( 0.26 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -2.866 -10.871 -5.796) 12.649 3.443 ( -0.131 -28.948 3.226) 29.127 4.226 ( 12.609 -15.141 4.793) 20.278 5.273 ( 2.640 -31.339 -5.314) 31.896 5.815 ( 4.577 -24.929 3.407) 25.573 6.566 ( -2.582 -4.214 1.727) 5.235 7.206 ( 10.208 20.472 1.718) 22.940 7.938 ( 2.388 -15.617 -2.791) 16.043 14.808 ( -1.429 -3.433 4.306) 5.690 15.602 ( -0.248 -3.043 0.954) 3.199 15.962 ( -2.175 31.654 -2.923) 31.863 17.351 ( -2.570 9.194 -6.864) 11.758 ======================= Grid point 1095 (487/860) ======================= q-point: ( 0.32 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -4.888 -13.626 -7.828) 16.457 4.013 ( 0.926 -32.922 2.731) 33.048 4.537 ( 10.020 -6.860 2.369) 12.372 5.666 ( 2.311 -13.032 -0.711) 13.254 6.209 ( 9.637 -7.683 3.877) 12.920 6.785 ( -1.145 -19.704 2.456) 19.889 7.008 ( 5.879 5.059 0.846) 7.802 8.209 ( 1.393 -14.554 -4.075) 15.178 14.740 ( -3.647 17.723 5.657) 18.958 15.387 ( -0.376 12.507 0.861) 12.542 15.820 ( 1.069 -9.824 -4.992) 11.071 17.080 ( -2.249 15.994 -3.593) 16.546 ======================= Grid point 1096 (488/860) ======================= q-point: ( 0.37 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( -6.263 -16.929 -7.471) 19.535 4.559 ( 6.005 -7.421 1.665) 9.691 4.683 ( 1.882 -19.798 -2.798) 20.083 5.814 ( 1.971 -3.095 0.819) 3.760 6.325 ( 14.711 6.600 13.440) 20.991 6.931 ( -0.472 -5.257 0.848) 5.346 7.391 ( 0.958 -31.507 -0.655) 31.528 8.422 ( -0.080 -11.215 -5.637) 12.552 14.211 ( -4.243 33.802 2.075) 34.130 15.398 ( 0.808 -7.470 0.749) 7.551 16.013 ( 1.614 -11.267 -1.511) 11.482 16.743 ( -2.017 17.818 -1.377) 17.985 ======================= Grid point 1097 (489/860) ======================= q-point: ( 0.42 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -7.190 -19.676 -5.763) 21.727 4.391 ( 4.168 18.032 -9.216) 20.675 5.208 ( 0.822 -27.027 3.533) 27.270 5.852 ( 1.271 -0.155 0.288) 1.312 6.435 ( 14.951 2.651 19.812) 24.962 7.039 ( -2.549 -6.695 0.200) 7.167 7.906 ( 0.985 -24.636 -1.416) 24.696 8.543 ( -1.553 -6.439 -6.764) 9.467 13.622 ( -3.200 28.446 0.792) 28.637 15.565 ( 0.254 -9.581 0.107) 9.585 16.159 ( 1.758 0.423 -0.595) 1.904 16.489 ( -1.224 4.000 0.720) 4.244 ======================= Grid point 1098 (490/860) ======================= q-point: ( 0.47 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( -7.356 -20.805 -2.867) 22.253 3.988 ( 1.501 23.516 -10.927) 25.974 5.601 ( 0.030 -12.991 4.562) 13.769 5.865 ( 1.348 -1.378 -0.896) 2.126 6.648 ( 10.950 -3.836 18.770) 22.066 7.096 ( -2.639 -1.631 0.379) 3.125 8.219 ( 0.380 -10.138 -1.969) 10.334 8.559 ( -2.572 -0.863 -7.187) 7.682 13.208 ( -1.986 15.680 1.728) 15.900 15.718 ( -0.603 -7.539 -1.053) 7.636 16.022 ( -0.387 9.491 0.339) 9.505 16.605 ( 2.003 -10.823 0.010) 11.007 ======================= Grid point 1099 (491/860) ======================= q-point: (-0.47 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( 1.335 25.427 -6.359) 26.244 3.803 ( -9.488 -22.161 -2.857) 24.275 5.657 ( -2.168 6.225 2.819) 7.169 5.942 ( 2.397 -4.258 -1.558) 5.129 6.892 ( 4.510 -6.415 13.869) 15.932 7.059 ( -1.306 3.298 1.012) 3.688 8.232 ( -0.389 7.623 -2.505) 8.034 8.466 ( -2.886 5.092 -6.535) 8.773 13.078 ( -0.912 -1.105 4.192) 4.430 15.776 ( -1.240 -0.454 -4.597) 4.783 15.936 ( -1.253 -0.529 4.059) 4.281 16.822 ( 3.917 -11.656 -3.793) 12.868 ======================= Grid point 1100 (492/860) ======================= q-point: (-0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -1.517 23.435 -4.567) 23.924 4.108 ( -8.715 -20.439 1.145) 22.250 5.407 ( -3.522 20.089 0.015) 20.396 6.001 ( 2.403 -1.845 -2.937) 4.219 6.878 ( -2.384 10.710 4.408) 11.825 7.161 ( 0.061 -10.670 4.977) 11.773 7.932 ( -0.714 23.670 -2.515) 23.814 8.274 ( -2.803 10.947 -4.539) 12.178 13.264 ( -0.136 -16.814 7.136) 18.266 15.720 ( -1.373 1.528 -6.681) 6.990 15.991 ( -1.721 -2.674 5.536) 6.384 17.049 ( 5.452 -13.272 -8.628) 16.742 ======================= Grid point 1101 (493/860) ======================= q-point: (-0.37 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -3.627 20.354 -1.082) 20.703 4.363 ( -8.023 -12.770 3.635) 15.513 4.919 ( -5.027 27.807 -2.943) 28.411 6.029 ( 2.436 -0.958 -4.678) 5.361 6.627 ( -2.777 17.282 3.900) 17.933 7.361 ( -3.714 -5.166 -0.354) 6.372 7.402 ( -2.524 25.217 -2.764) 25.494 7.999 ( -1.972 16.366 -0.091) 16.484 13.700 ( 0.270 -26.815 9.425) 28.425 15.646 ( -1.547 1.700 -6.975) 7.344 16.023 ( -0.871 0.500 3.389) 3.535 17.309 ( 6.471 -16.086 -12.052) 21.116 ======================= Grid point 1102 (494/860) ======================= q-point: (-0.32 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -5.148 17.452 2.887) 18.423 4.128 ( -4.145 35.310 1.831) 35.599 4.672 ( -9.686 -8.746 -2.103) 13.219 5.992 ( 2.267 7.215 -8.176) 11.137 6.259 ( -3.926 22.915 3.344) 23.488 6.780 ( 0.281 31.715 2.181) 31.792 7.505 ( -11.075 -6.801 -12.864) 18.286 7.717 ( 0.181 10.976 10.762) 15.373 14.246 ( 0.082 -27.454 9.848) 29.167 15.589 ( -1.473 -0.821 -4.860) 5.144 15.996 ( 0.750 2.639 -0.964) 2.908 17.600 ( 7.340 -16.856 -13.987) 23.100 ======================= Grid point 1103 (495/860) ======================= q-point: (-0.26 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -5.613 15.403 7.323) 17.955 3.428 ( -4.675 38.233 3.352) 38.663 4.703 ( -9.852 -3.057 -5.549) 11.713 5.555 ( -1.743 36.354 -6.761) 37.019 5.828 ( -2.938 24.661 0.399) 24.838 6.472 ( 2.900 6.141 3.517) 7.648 7.233 ( -5.274 18.100 2.103) 18.970 7.809 ( -7.369 -13.719 -0.877) 15.597 14.657 ( -0.948 -12.393 6.007) 13.805 15.648 ( -0.644 -7.781 -1.236) 7.905 15.986 ( 2.123 -4.336 -1.749) 5.135 17.873 ( 8.457 -14.059 -16.123) 23.002 ======================= Grid point 1104 (496/860) ======================= q-point: (-0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -4.703 14.277 12.291) 19.417 2.787 ( -5.862 31.658 9.040) 33.441 4.490 ( -5.704 19.882 -9.535) 22.776 4.820 ( -8.720 32.875 -7.833) 34.902 5.340 ( -1.143 27.594 -0.512) 27.622 6.516 ( 4.203 -4.242 2.542) 6.490 6.905 ( -3.907 17.469 12.019) 21.562 7.991 ( -9.392 -15.764 -5.058) 19.034 14.724 ( -1.527 3.560 2.415) 4.565 15.707 ( 1.223 -0.645 -6.776) 6.916 16.288 ( 1.476 -23.634 7.901) 24.963 18.067 ( 9.470 -8.580 -19.282) 23.132 ======================= Grid point 1105 (497/860) ======================= q-point: (-0.16 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -3.004 13.430 17.267) 22.080 2.327 ( -7.536 20.823 17.350) 28.132 3.795 ( -0.478 46.115 -0.579) 46.121 4.246 ( -15.921 17.975 -21.390) 32.158 4.850 ( 1.022 26.966 -2.586) 27.109 6.669 ( 4.020 7.282 16.820) 18.765 6.712 ( -2.170 -5.623 5.299) 8.025 8.154 ( -10.010 -14.489 -7.000) 18.951 14.594 ( -1.375 9.946 1.757) 10.193 15.689 ( 1.951 -0.754 -8.710) 8.957 16.747 ( 1.220 -18.397 9.817) 20.888 18.149 ( 9.003 -3.519 -21.503) 23.576 ======================= Grid point 1106 (498/860) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -2.049 13.203 20.320) 24.320 2.069 ( -7.891 14.744 24.498) 29.661 3.011 ( -2.425 39.015 6.286) 39.592 3.684 ( -14.375 17.595 -26.662) 35.030 4.378 ( 1.874 25.285 -5.408) 25.924 6.596 ( -0.349 7.238 22.238) 23.388 7.011 ( 3.957 -19.450 2.539) 20.011 8.264 ( -9.917 -11.005 -8.210) 16.937 14.378 ( -1.032 13.855 -0.146) 13.894 15.697 ( 1.846 -2.947 -7.697) 8.447 16.906 ( 2.476 8.662 1.748) 9.177 18.198 ( 4.621 -7.273 -13.607) 16.106 ======================= Grid point 1107 (499/860) ======================= q-point: (-0.05 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -0.611 11.239 21.154) 23.962 1.758 ( -5.837 25.593 19.362) 32.618 2.610 ( -5.752 8.895 20.942) 23.468 3.197 ( -10.804 10.081 -27.531) 31.246 3.975 ( 2.225 17.513 -6.213) 18.715 6.614 ( 1.003 3.052 21.825) 22.060 7.439 ( 4.093 -22.466 -4.247) 23.227 8.299 ( -7.896 -5.567 -8.507) 12.873 14.099 ( -0.632 14.822 -2.588) 15.060 15.766 ( 0.955 -7.406 -3.992) 8.468 16.525 ( 1.346 30.428 -1.680) 30.504 18.350 ( -0.375 -9.365 -1.056) 9.431 ======================= Grid point 1109 (500/860) ======================= q-point: ( 0.05 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 14.703 -0.000 22.443) 26.831 1.586 ( -3.470 0.000 14.834) 15.234 2.546 ( 5.121 -0.000 -27.546) 28.018 2.879 ( -4.159 0.000 23.431) 23.797 3.794 ( 3.150 -0.000 -5.783) 6.585 6.904 ( 3.753 -0.000 12.391) 12.947 7.513 ( -5.209 0.000 -4.156) 6.664 8.273 ( 9.411 -0.000 -10.552) 14.139 13.914 ( 0.241 -0.000 -1.078) 1.105 15.865 ( -3.400 0.000 -0.960) 3.533 16.168 ( 0.625 -0.000 2.633) 2.706 18.401 ( -5.168 0.000 4.360) 6.761 ======================= Grid point 1110 (501/860) ======================= q-point: ( 0.11 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 7.527 -10.913 21.886) 25.588 1.974 ( 1.794 -30.036 14.657) 33.469 2.566 ( 9.093 -10.691 -28.740) 31.984 2.939 ( 1.844 1.596 18.461) 18.622 3.950 ( 2.599 -16.669 -4.532) 17.469 6.989 ( 2.234 -0.348 7.130) 7.480 7.351 ( -3.049 9.970 0.645) 10.446 8.242 ( 10.727 7.473 -7.828) 15.237 14.046 ( -0.190 -13.480 -1.142) 13.530 15.691 ( -1.976 8.869 -2.056) 9.316 16.503 ( -1.391 -26.856 0.111) 26.892 18.253 ( -5.521 13.728 3.256) 15.151 ======================= Grid point 1111 (502/860) ======================= q-point: ( 0.16 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 2.103 -8.049 13.365) 15.742 2.581 ( -1.809 -15.748 10.122) 18.807 2.826 ( 7.476 -30.726 -7.232) 32.439 3.181 ( 15.469 -19.380 -0.191) 24.798 4.337 ( 1.591 -25.728 -2.031) 25.857 6.916 ( -3.794 10.065 1.630) 10.879 7.291 ( 3.266 -3.098 3.707) 5.831 8.126 ( 11.830 12.982 -3.599) 17.929 14.306 ( -1.184 -15.333 0.183) 15.380 15.548 ( -1.092 4.417 -3.430) 5.698 16.941 ( -2.636 -22.408 0.005) 22.563 17.871 ( -5.455 24.285 -0.750) 24.902 ======================= Grid point 1112 (503/860) ======================= q-point: ( 0.21 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 0.008 -7.739 -0.684) 7.770 2.736 ( -3.077 -9.754 4.941) 11.359 3.526 ( 17.044 -27.417 10.192) 33.854 3.813 ( 8.617 -40.483 -7.271) 42.024 4.834 ( 1.526 -28.870 0.539) 28.915 6.704 ( -4.321 9.151 0.755) 10.148 7.455 ( 3.446 -10.210 -0.728) 10.800 7.944 ( 13.064 18.191 0.472) 22.401 14.540 ( -1.572 -11.626 1.691) 11.853 15.485 ( -0.516 0.132 -3.234) 3.278 17.153 ( -3.325 10.749 13.033) 17.218 17.384 ( -5.133 9.721 -15.510) 19.011 ======================= Grid point 1113 (504/860) ======================= q-point: ( 0.26 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -1.796 -7.655 -8.474) 11.560 3.010 ( -1.516 -20.816 4.809) 21.418 4.114 ( 19.854 -16.765 10.702) 28.103 4.594 ( 3.594 -43.417 -5.588) 43.922 5.372 ( 2.678 -28.958 2.560) 29.194 6.553 ( -3.915 3.999 0.117) 5.598 7.639 ( 3.993 -0.155 -11.994) 12.643 7.746 ( 11.978 8.571 10.597) 18.145 14.709 ( -1.226 -7.869 2.537) 8.358 15.507 ( -0.081 -4.259 -2.026) 4.717 16.587 ( -4.368 38.080 2.143) 38.390 17.363 ( -3.758 -2.055 -5.265) 6.787 ======================= Grid point 1114 (505/860) ======================= q-point: ( 0.32 0.05 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -3.185 -9.644 -9.698) 14.043 3.473 ( -0.011 -29.411 3.666) 29.638 4.537 ( 16.879 -8.727 8.063) 20.641 5.288 ( 3.427 -32.065 -2.241) 32.325 5.917 ( 4.525 -27.651 2.331) 28.115 6.524 ( -3.773 -5.527 0.318) 6.700 7.402 ( 11.237 21.157 1.032) 23.978 7.951 ( 2.921 -13.116 -2.643) 13.695 14.820 ( -1.194 -3.501 2.575) 4.507 15.610 ( 0.003 -6.737 1.279) 6.858 15.889 ( -3.137 34.404 -2.964) 34.674 17.264 ( -3.241 8.044 -1.688) 8.835 ======================= Grid point 1115 (506/860) ======================= q-point: ( 0.37 0.05 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -4.168 -12.705 -8.600) 15.898 4.060 ( 0.981 -33.898 3.974) 34.144 4.755 ( 13.211 1.505 2.867) 13.602 5.708 ( 2.758 -12.955 0.457) 13.253 6.370 ( 6.014 -15.707 2.257) 16.970 6.779 ( -1.921 -25.439 1.679) 25.566 7.161 ( 9.550 14.943 4.801) 18.373 8.180 ( 0.929 -12.871 -5.939) 14.206 14.703 ( -3.908 20.533 -0.170) 20.903 15.395 ( 0.033 10.267 1.674) 10.402 15.809 ( 0.951 -11.603 -0.910) 11.677 17.025 ( -2.631 15.288 0.380) 15.517 ======================= Grid point 1116 (507/860) ======================= q-point: ( 0.42 0.05 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -5.070 -16.086 -6.794) 18.183 4.693 ( 0.729 -31.952 3.301) 32.130 4.712 ( 10.526 12.521 -1.424) 16.419 5.846 ( 1.492 -2.506 0.230) 2.926 6.649 ( 8.964 -6.789 9.065) 14.444 6.971 ( 3.588 4.749 6.599) 8.887 7.400 ( 0.952 -30.736 -0.796) 30.761 8.354 ( -0.517 -10.016 -7.426) 12.479 14.140 ( -4.286 32.666 -2.053) 33.010 15.423 ( 1.244 -6.567 1.180) 6.787 16.035 ( 1.510 -12.039 0.714) 12.154 16.713 ( -2.201 17.396 2.284) 17.683 ======================= Grid point 1117 (508/860) ======================= q-point: ( 0.47 0.05 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -5.967 -19.159 -4.765) 20.624 4.419 ( 7.199 23.546 -5.969) 25.335 5.269 ( 1.360 -26.404 5.553) 27.016 5.870 ( 1.126 0.218 -0.288) 1.183 6.832 ( 11.885 2.136 15.962) 20.015 6.999 ( -2.635 -4.813 1.464) 5.679 7.905 ( 0.509 -24.160 -1.480) 24.211 8.452 ( -1.122 -5.657 -7.429) 9.405 13.567 ( -3.195 26.332 -1.275) 26.555 15.571 ( 0.668 -8.097 -0.295) 8.130 16.178 ( 1.349 2.592 -0.827) 3.037 16.497 ( -1.011 1.506 4.647) 4.988 ======================= Grid point 1118 (509/860) ======================= q-point: (-0.47 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.333 ( -6.806 -21.139 -2.730) 22.375 3.982 ( 5.443 27.769 -4.701) 28.685 5.642 ( -0.402 -10.302 4.696) 11.329 5.882 ( 2.046 -2.039 -1.291) 3.164 6.944 ( 6.434 0.775 12.518) 14.096 7.057 ( -2.827 -2.514 0.898) 3.889 8.202 ( -0.098 -9.295 -1.870) 9.482 8.468 ( -0.552 -0.424 -5.740) 5.783 13.189 ( -2.003 13.097 1.190) 13.303 15.697 ( -0.308 -5.764 -1.569) 5.982 16.021 ( -0.430 9.342 1.019) 9.407 16.642 ( 1.916 -10.499 0.703) 10.696 ======================= Grid point 1119 (510/860) ======================= q-point: (-0.42 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( 1.309 22.547 -3.340) 22.830 3.685 ( -4.832 -16.246 1.374) 17.005 5.642 ( -2.234 8.484 1.860) 8.968 5.965 ( 2.520 -3.458 -2.395) 4.903 7.006 ( -1.261 2.777 5.691) 6.456 7.055 ( -1.487 -2.038 0.734) 2.628 8.203 ( -0.124 8.007 -1.783) 8.204 8.400 ( 0.306 5.909 -2.703) 6.505 13.105 ( -0.955 -3.641 4.868) 6.153 15.718 ( -0.986 1.500 -3.801) 4.203 15.953 ( -1.065 -1.256 3.624) 3.980 16.842 ( 3.569 -10.717 -5.201) 12.436 ======================= Grid point 1120 (511/860) ======================= q-point: (-0.37 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 1.649 25.991 1.445) 26.083 3.996 ( -7.007 -20.152 2.569) 21.489 5.349 ( -2.966 22.448 -1.081) 22.669 6.003 ( 1.831 -1.294 -4.085) 4.660 6.874 ( -3.109 10.961 3.007) 11.784 7.113 ( -5.559 -7.313 -4.688) 10.313 7.907 ( 0.112 23.977 -1.583) 24.030 8.249 ( 1.235 11.326 1.890) 11.549 13.336 ( -0.202 -18.645 8.723) 20.585 15.642 ( -1.132 2.792 -5.513) 6.283 16.013 ( -1.386 -2.780 4.550) 5.509 17.041 ( 4.852 -12.761 -11.184) 17.648 ======================= Grid point 1121 (512/860) ======================= q-point: (-0.32 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 0.608 23.138 5.771) 23.854 4.269 ( -7.152 -14.273 3.598) 16.365 4.819 ( -3.529 31.453 -3.534) 31.847 6.011 ( 1.368 -0.359 -5.854) 6.023 6.604 ( -4.124 17.355 1.660) 17.916 7.171 ( -9.047 -9.901 -10.755) 17.192 7.382 ( -0.053 33.244 -0.576) 33.249 8.045 ( 2.277 15.374 7.134) 17.101 13.802 ( 0.086 -27.356 11.610) 29.717 15.560 ( -1.294 1.858 -6.281) 6.676 16.038 ( -0.513 1.120 2.167) 2.492 17.282 ( 5.532 -16.597 -14.643) 22.814 ======================= Grid point 1122 (513/860) ======================= q-point: (-0.26 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 0.334 19.918 10.143) 22.354 4.077 ( -3.707 35.869 1.028) 36.075 4.506 ( -7.378 -6.823 -2.897) 10.458 5.936 ( 1.175 9.322 -9.511) 13.369 6.214 ( -4.850 23.001 1.470) 23.552 6.808 ( 0.313 28.316 2.336) 28.414 7.205 ( -10.336 -8.060 -12.241) 17.934 7.836 ( 2.171 13.638 10.004) 17.052 14.345 ( -0.366 -25.474 11.918) 28.127 15.523 ( -1.159 -2.973 -4.450) 5.476 15.995 ( 0.943 3.054 -2.215) 3.889 17.568 ( 5.880 -17.847 -16.101) 24.745 ======================= Grid point 1123 (514/860) ======================= q-point: (-0.21 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 1.208 17.172 14.463) 22.484 3.392 ( -3.656 36.892 3.489) 37.236 4.487 ( -8.195 1.002 -8.544) 11.881 5.473 ( 0.087 37.002 -8.105) 37.880 5.775 ( -3.911 23.423 0.293) 23.749 6.535 ( 1.080 5.161 3.115) 6.124 7.139 ( -6.565 4.386 -1.022) 7.961 7.746 ( -1.438 -0.479 2.787) 3.172 14.696 ( -1.403 -8.321 6.456) 10.625 15.629 ( -0.489 -7.975 -0.885) 8.039 16.005 ( 1.957 -8.659 -1.422) 8.991 17.832 ( 6.079 -14.807 -18.001) 24.088 ======================= Grid point 1124 (515/860) ======================= q-point: (-0.16 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 3.000 15.367 18.353) 24.124 2.794 ( -4.163 29.697 10.031) 31.620 4.232 ( -8.564 13.308 -17.115) 23.310 4.694 ( -1.380 45.147 -4.683) 45.410 5.314 ( -1.475 25.856 -0.445) 25.901 6.576 ( 0.864 -5.641 2.162) 6.103 6.979 ( -1.600 11.278 12.567) 16.961 7.826 ( -4.430 -10.632 -5.514) 12.770 14.720 ( -1.665 4.277 2.425) 5.191 15.662 ( 0.945 0.328 -6.572) 6.647 16.388 ( 0.886 -26.129 9.123) 27.690 18.000 ( 5.625 -8.742 -21.196) 23.608 ======================= Grid point 1125 (516/860) ======================= q-point: (-0.11 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 4.762 14.968 21.054) 26.268 2.396 ( -4.727 18.480 18.955) 26.891 3.730 ( -3.183 29.668 -16.840) 34.262 3.870 ( -7.068 37.485 -8.685) 39.122 4.837 ( 0.361 26.902 -2.407) 27.011 6.732 ( -1.088 -8.423 4.468) 9.596 6.881 ( 2.911 5.883 16.905) 18.135 7.964 ( -4.240 -12.061 -8.371) 15.281 14.585 ( -1.521 10.102 1.335) 10.303 15.637 ( 1.267 -0.921 -8.034) 8.186 16.860 ( 0.497 -17.276 11.324) 20.662 18.040 ( 3.314 -4.560 -22.663) 23.354 ======================= Grid point 1126 (517/860) ======================= q-point: (-0.05 0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 6.149 15.718 22.302) 27.968 2.203 ( -4.263 14.948 25.196) 29.606 3.028 ( 0.066 35.612 1.320) 35.637 3.252 ( -8.501 18.897 -25.175) 32.606 4.357 ( 1.315 25.602 -4.564) 26.039 6.790 ( 1.289 4.056 17.073) 17.595 7.082 ( 1.295 -16.807 4.136) 17.357 8.092 ( -1.492 -9.550 -8.782) 13.060 14.355 ( -1.200 14.716 -0.680) 14.781 15.651 ( 0.785 -3.857 -6.654) 7.731 16.952 ( 0.867 13.651 1.881) 13.807 18.105 ( -1.303 -12.860 -10.646) 16.745 ======================= Grid point 1129 (518/860) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -1.923 0.000 12.091) 12.243 1.986 ( 9.088 -0.000 21.582) 23.418 2.441 ( 15.309 -0.000 -26.240) 30.379 3.098 ( 5.982 -0.000 21.074) 21.906 3.797 ( 3.587 -0.000 -5.453) 6.527 7.031 ( 1.782 -0.000 4.495) 4.836 7.402 ( -5.056 0.000 -3.614) 6.215 8.382 ( 13.903 -0.000 -5.684) 15.020 13.915 ( 0.710 -0.000 -0.396) 0.813 15.790 ( -5.005 0.000 -0.032) 5.005 16.201 ( 0.979 -0.000 1.385) 1.696 18.351 ( -6.234 0.000 4.768) 7.849 ======================= Grid point 1130 (519/860) ======================= q-point: ( 0.16 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -0.906 -26.527 11.758) 29.031 2.158 ( 1.844 -9.789 6.027) 11.643 2.558 ( 11.603 -7.536 -9.661) 16.875 3.251 ( 19.375 0.272 13.496) 23.614 3.959 ( 3.179 -16.622 -3.425) 17.267 7.024 ( -3.134 4.240 2.209) 5.717 7.298 ( -1.301 2.390 -5.423) 6.067 8.416 ( 15.304 7.740 -0.400) 17.154 14.041 ( 0.143 -12.393 -0.030) 12.394 15.636 ( -3.002 8.112 -0.913) 8.698 16.479 ( -1.546 -23.873 -0.049) 23.923 18.189 ( -6.414 14.511 3.726) 16.297 ======================= Grid point 1131 (520/860) ======================= q-point: ( 0.21 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 1.097 -4.364 -3.149) 5.492 2.612 ( -1.760 -8.192 7.955) 11.554 2.883 ( 1.328 -41.672 0.570) 41.697 3.610 ( 29.661 -11.384 7.314) 32.601 4.360 ( 3.326 -25.815 -0.635) 26.036 6.836 ( -7.017 10.168 -0.125) 12.355 7.318 ( 2.442 -5.813 -6.862) 9.319 8.361 ( 15.712 13.817 4.061) 21.314 14.295 ( -0.989 -15.010 1.190) 15.089 15.502 ( -1.594 4.007 -1.603) 4.601 16.884 ( -3.515 -22.671 -1.313) 22.980 17.784 ( -6.148 26.380 1.964) 27.158 ======================= Grid point 1132 (521/860) ======================= q-point: ( 0.26 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.462 -4.686 -10.032) 11.082 2.745 ( -2.628 -10.119 7.169) 12.676 3.739 ( 2.210 -48.358 2.613) 48.479 4.117 ( 25.972 -14.671 6.709) 30.574 4.889 ( 4.806 -29.198 1.507) 29.630 6.615 ( -6.407 7.493 -1.356) 9.951 7.439 ( 2.043 -9.568 -9.833) 13.871 8.227 ( 15.361 18.368 7.122) 24.981 14.534 ( -1.359 -11.961 2.220) 12.241 15.454 ( -0.718 -0.405 -1.194) 1.451 17.160 ( -4.818 -3.945 -11.708) 13.261 17.211 ( -5.213 24.520 10.867) 27.322 ======================= Grid point 1133 (522/860) ======================= q-point: ( 0.32 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -0.580 -6.112 -10.567) 12.221 3.036 ( -1.164 -21.181 5.383) 21.885 4.566 ( 19.773 -13.518 13.780) 27.633 4.611 ( 4.526 -42.264 -4.633) 42.758 5.458 ( 5.517 -28.796 2.554) 29.431 6.468 ( -5.481 2.411 -1.968) 6.303 7.570 ( 2.082 -7.697 -11.883) 14.310 8.054 ( 13.415 17.202 8.945) 23.577 14.714 ( -0.950 -8.245 2.301) 8.613 15.495 ( -0.086 -4.966 -0.201) 4.970 16.506 ( -5.008 37.482 -2.512) 37.898 17.283 ( -4.217 -2.388 1.592) 5.101 ======================= Grid point 1134 (523/860) ======================= q-point: ( 0.37 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -1.216 -8.513 -8.303) 11.953 3.513 ( 0.117 -30.080 4.706) 30.446 4.893 ( 17.422 -3.271 6.332) 18.824 5.345 ( 4.183 -32.369 1.246) 32.662 6.006 ( 4.319 -27.363 1.299) 27.732 6.450 ( -4.637 -7.604 -1.134) 8.978 7.558 ( 7.923 10.478 -2.170) 13.314 8.006 ( 5.396 -1.437 0.470) 5.604 14.815 ( -1.094 -1.726 0.332) 2.071 15.625 ( 0.372 -9.227 1.211) 9.314 15.813 ( -3.396 33.517 -1.365) 33.716 17.213 ( -3.502 7.449 2.382) 8.569 ======================= Grid point 1135 (524/860) ======================= q-point: ( 0.42 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -1.752 -11.277 -5.596) 12.710 4.118 ( 0.826 -34.476 5.295) 34.890 5.006 ( 14.339 7.796 1.969) 16.439 5.756 ( 2.337 -11.113 0.535) 11.369 6.450 ( 2.819 -18.002 0.103) 18.221 6.759 ( -2.046 -30.543 1.355) 30.641 7.390 ( 10.574 16.247 7.814) 20.900 8.132 ( 0.611 -10.019 -6.899) 12.180 14.615 ( -3.789 23.430 -4.862) 24.228 15.421 ( 0.547 6.965 2.865) 7.551 15.831 ( 0.828 -12.253 2.229) 12.481 17.000 ( -2.683 14.676 3.507) 15.326 ======================= Grid point 1136 (525/860) ======================= q-point: ( 0.47 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -2.367 -14.307 -3.101) 14.829 4.723 ( 1.432 -20.335 1.208) 20.421 4.906 ( 10.793 6.153 2.794) 12.734 5.869 ( 1.459 -1.980 -0.329) 2.482 6.741 ( -0.476 -13.924 0.729) 13.951 7.198 ( 9.310 6.972 13.540) 17.850 7.405 ( 0.647 -26.451 -0.998) 26.477 8.275 ( -0.137 -9.473 -7.680) 12.196 14.039 ( -3.919 30.947 -4.953) 31.585 15.461 ( 1.508 -5.173 2.121) 5.790 16.071 ( 1.381 -11.860 1.705) 12.061 16.713 ( -2.118 16.663 5.190) 17.580 ======================= Grid point 1137 (526/860) ======================= q-point: ( 0.53 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -2.986 -17.234 -0.734) 17.506 4.499 ( 7.951 25.550 -3.808) 27.028 5.351 ( 1.496 -24.210 6.730) 25.173 5.887 ( 1.687 0.391 -0.840) 1.925 6.933 ( -3.072 -8.914 0.727) 9.457 7.140 ( 6.236 9.298 10.018) 15.023 7.900 ( 0.473 -23.908 -0.508) 23.918 8.386 ( 0.977 -5.984 -5.356) 8.090 13.497 ( -2.977 23.770 -2.836) 24.123 15.585 ( 0.926 -6.243 0.517) 6.333 16.188 ( 0.900 4.437 -1.078) 4.654 16.538 ( -0.625 0.075 6.649) 6.679 ======================= Grid point 1138 (527/860) ======================= q-point: (-0.42 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( -3.361 -19.223 1.791) 19.597 4.056 ( 6.838 29.164 -1.339) 29.985 5.671 ( -1.238 -6.575 4.202) 7.901 5.908 ( 2.851 -2.766 -1.802) 4.362 7.015 ( -3.763 -2.736 1.464) 4.877 7.067 ( -0.106 4.840 1.961) 5.223 8.197 ( 0.996 -8.503 0.243) 8.564 8.446 ( 2.388 -0.813 -1.951) 3.189 13.165 ( -1.951 10.025 0.654) 10.234 15.683 ( -0.092 -3.737 -0.573) 3.782 16.026 ( -0.315 8.842 1.151) 8.922 16.677 ( 1.680 -9.055 0.327) 9.215 ======================= Grid point 1139 (528/860) ======================= q-point: (-0.37 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( 3.119 8.193 6.176) 10.724 3.647 ( -0.947 1.261 0.358) 1.617 5.620 ( -2.184 10.347 1.043) 10.626 5.975 ( 2.049 -1.981 -3.507) 4.519 6.931 ( -8.461 2.672 -7.871) 11.860 7.038 ( -0.957 1.590 3.693) 4.133 8.204 ( 1.105 9.071 -0.208) 9.140 8.427 ( 3.260 5.430 2.128) 6.682 13.136 ( -1.030 -6.718 5.187) 8.550 15.676 ( -0.734 3.234 -2.013) 3.880 15.969 ( -0.718 -1.637 2.897) 3.404 16.840 ( 2.956 -9.015 -6.825) 11.687 ======================= Grid point 1140 (529/860) ======================= q-point: (-0.32 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( 5.490 28.081 7.501) 29.580 3.934 ( -4.265 -18.835 4.684) 19.872 5.291 ( -2.503 24.266 -1.920) 24.470 5.985 ( 1.017 -0.537 -4.811) 4.946 6.741 ( -10.986 4.852 -11.173) 16.403 7.004 ( -1.943 1.766 0.509) 2.674 7.901 ( 0.505 24.656 -1.240) 24.693 8.333 ( 3.793 10.644 5.956) 12.773 13.418 ( -0.412 -20.966 9.741) 23.122 15.582 ( -0.879 4.371 -3.758) 5.831 16.032 ( -0.859 -2.761 3.461) 4.509 16.998 ( 3.856 -11.852 -13.234) 18.179 ======================= Grid point 1141 (530/860) ======================= q-point: (-0.26 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 4.996 24.777 11.186) 27.640 4.211 ( -4.251 -12.610 4.740) 14.127 4.737 ( -2.447 32.995 -3.732) 33.296 5.968 ( 0.463 0.688 -6.204) 6.260 6.471 ( -9.664 11.048 -8.609) 17.017 6.966 ( -4.518 -2.257 -5.542) 7.498 7.377 ( 0.075 32.684 -0.568) 32.689 8.170 ( 3.664 14.653 7.956) 17.071 13.917 ( -0.346 -28.186 13.208) 31.129 15.488 ( -1.008 2.468 -5.107) 5.761 16.047 ( -0.027 2.001 0.593) 2.088 17.217 ( 4.115 -16.970 -16.057) 23.722 ======================= Grid point 1142 (531/860) ======================= q-point: (-0.21 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 5.359 20.791 14.598) 25.963 4.028 ( -3.109 35.651 0.645) 35.792 4.387 ( -3.796 -2.561 -2.948) 5.446 5.860 ( 0.571 10.766 -9.440) 14.330 6.113 ( -6.601 18.605 -3.074) 19.979 6.823 ( -1.269 25.096 1.630) 25.180 6.976 ( -5.065 -5.949 -7.580) 10.886 7.965 ( 3.210 15.246 7.915) 17.476 14.453 ( -1.019 -22.997 13.434) 26.652 15.469 ( -0.862 -5.235 -3.584) 6.403 15.984 ( 1.126 3.483 -3.904) 5.352 17.494 ( 3.925 -18.316 -16.667) 25.073 ======================= Grid point 1143 (532/860) ======================= q-point: (-0.16 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 6.443 17.235 17.332) 25.278 3.375 ( -2.565 34.760 3.902) 35.072 4.285 ( -5.384 7.526 -10.629) 14.093 5.405 ( 1.508 35.681 -9.197) 36.878 5.711 ( -4.136 21.103 0.718) 21.516 6.567 ( -0.558 4.666 2.953) 5.550 7.033 ( -3.940 -6.034 -1.580) 7.378 7.789 ( 2.201 9.123 3.427) 9.991 14.731 ( -1.711 -4.304 6.495) 7.978 15.615 ( -0.452 -6.720 -0.468) 6.752 16.021 ( 1.455 -14.190 -1.158) 14.311 17.739 ( 3.325 -14.364 -18.070) 23.321 ======================= Grid point 1144 (533/860) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 7.592 15.032 19.024) 25.407 2.838 ( -2.368 26.622 10.848) 28.845 3.940 ( -5.777 17.708 -18.695) 26.390 4.647 ( 1.121 45.466 -5.688) 45.834 5.289 ( -1.322 24.647 0.428) 24.687 6.599 ( -0.565 -5.672 2.605) 6.267 7.081 ( 0.719 2.059 11.095) 11.307 7.745 ( 0.607 -3.787 -5.812) 6.963 14.715 ( -1.717 5.112 2.408) 5.906 15.616 ( 0.630 1.374 -6.007) 6.194 16.484 ( -0.111 -28.871 9.846) 30.504 17.862 ( 1.863 -7.111 -20.871) 22.128 ======================= Grid point 1145 (534/860) ======================= q-point: (-0.05 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 7.705 14.771 19.744) 25.833 2.526 ( -1.389 14.772 19.766) 24.715 3.436 ( -3.208 22.480 -23.876) 32.950 3.807 ( 0.572 46.883 -3.208) 46.996 4.822 ( 0.160 27.171 -1.537) 27.215 6.751 ( -1.195 -10.178 3.142) 10.718 7.091 ( 4.087 5.164 16.307) 17.587 7.859 ( 1.555 -11.192 -9.840) 14.984 14.570 ( -1.651 10.534 1.094) 10.719 15.582 ( 0.561 -0.841 -6.806) 6.881 16.971 ( -0.571 -15.944 12.548) 20.298 17.849 ( -1.164 -5.031 -21.285) 21.902 ======================= Grid point 1149 (535/860) ======================= q-point: ( 0.16 0.16 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -0.838 0.000 9.233) 9.271 2.142 ( 2.051 -0.000 -1.937) 2.821 2.579 ( 10.849 -0.000 1.472) 10.948 3.514 ( 24.850 -0.000 15.201) 29.130 3.809 ( 3.909 -0.000 -5.008) 6.353 7.044 ( -4.969 0.000 2.454) 5.542 7.263 ( -2.298 0.000 -11.297) 11.529 8.624 ( 16.701 -0.000 2.778) 16.930 13.929 ( 1.065 -0.000 0.357) 1.124 15.706 ( -5.592 0.000 0.722) 5.639 16.225 ( 1.237 -0.000 -0.018) 1.237 18.282 ( -7.163 0.000 3.812) 8.114 ======================= Grid point 1150 (536/860) ======================= q-point: ( 0.21 0.16 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 0.419 -24.677 4.985) 25.179 2.172 ( 2.355 -10.585 -5.643) 12.224 2.665 ( 1.305 -0.298 6.932) 7.060 3.778 ( 26.088 -2.109 7.314) 27.176 4.021 ( 10.810 -16.779 1.484) 20.015 6.920 ( -10.405 6.918 -1.534) 12.589 7.226 ( 2.472 -2.391 -10.067) 10.638 8.710 ( 16.458 7.832 5.862) 19.146 14.050 ( 0.412 -11.385 1.026) 11.438 15.579 ( -3.442 6.705 0.210) 7.540 16.452 ( -1.274 -20.627 -0.842) 20.683 18.108 ( -7.315 14.443 2.728) 16.418 ======================= Grid point 1151 (537/860) ======================= q-point: ( 0.26 0.16 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 2.867 -2.188 -10.756) 11.345 2.668 ( -3.088 -2.208 11.233) 11.856 2.901 ( 0.988 -45.897 0.283) 45.909 4.126 ( 18.736 -12.679 5.163) 23.204 4.510 ( 18.555 -21.574 5.223) 28.931 6.679 ( -9.892 8.018 -3.888) 13.313 7.276 ( 2.860 -5.616 -9.803) 11.654 8.675 ( 15.227 14.106 7.274) 21.995 14.296 ( -0.771 -14.445 2.100) 14.617 15.468 ( -1.713 3.228 0.155) 3.657 16.807 ( -3.565 -20.574 -2.400) 21.018 17.700 ( -6.938 25.655 2.478) 26.692 ======================= Grid point 1152 (538/860) ======================= q-point: ( 0.32 0.16 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 2.083 -3.114 -10.997) 11.618 2.775 ( -2.358 -9.898 7.641) 12.725 3.781 ( 2.051 -49.669 0.428) 49.714 4.549 ( 14.492 -15.792 6.942) 22.529 5.087 ( 18.256 -22.669 5.906) 29.700 6.468 ( -8.181 4.958 -4.598) 10.614 7.372 ( 2.192 -8.240 -10.759) 13.728 8.537 ( 13.444 18.375 7.528) 23.980 14.537 ( -1.110 -12.053 2.549) 12.370 15.441 ( -0.664 -1.010 0.773) 1.435 16.969 ( -4.649 8.932 -11.071) 14.966 17.227 ( -5.998 11.232 10.596) 16.565 ======================= Grid point 1153 (539/860) ======================= q-point: ( 0.37 0.16 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 1.657 -5.394 -7.716) 9.559 3.071 ( -0.985 -21.558 5.855) 22.361 4.648 ( 3.938 -44.329 -2.122) 44.554 4.965 ( 13.551 -13.837 9.932) 21.766 5.629 ( 12.229 -21.056 4.564) 24.774 6.340 ( -6.252 -0.124 -4.545) 7.730 7.498 ( 2.058 -9.436 -10.081) 13.961 8.331 ( 10.918 19.515 6.926) 23.410 14.719 ( -0.720 -8.054 1.785) 8.281 15.501 ( 0.075 -5.485 1.551) 5.701 16.389 ( -4.770 34.834 -4.704) 35.473 17.246 ( -4.502 -1.727 5.315) 7.176 ======================= Grid point 1154 (540/860) ======================= q-point: ( 0.42 0.16 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 1.448 -7.473 -3.701) 8.464 3.564 ( 0.096 -30.899 5.793) 31.437 5.188 ( 13.793 -6.345 0.909) 15.210 5.449 ( 5.122 -26.385 4.570) 27.264 6.077 ( 2.449 -23.195 0.489) 23.329 6.370 ( -2.407 -10.538 -1.448) 10.906 7.630 ( 5.162 -4.654 -3.553) 7.806 8.121 ( 5.947 13.073 2.558) 14.589 14.789 ( -1.146 1.936 -2.024) 3.026 15.644 ( 0.795 -7.768 0.718) 7.841 15.760 ( -2.962 26.647 1.495) 26.853 17.191 ( -3.438 6.946 5.002) 9.224 ======================= Grid point 1155 (541/860) ======================= q-point: ( 0.47 0.16 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 1.125 -9.632 -0.456) 9.708 4.185 ( 0.649 -34.640 6.386) 35.230 5.243 ( 12.931 11.327 0.118) 17.191 5.791 ( 1.831 -9.452 -0.323) 9.633 6.471 ( 0.418 -16.569 -1.135) 16.613 6.746 ( -1.169 -34.080 1.985) 34.158 7.636 ( 9.542 13.445 8.875) 18.724 8.072 ( 0.096 -6.984 -7.098) 9.959 14.498 ( -3.319 25.450 -7.338) 26.694 15.465 ( 0.882 4.305 4.114) 6.020 15.872 ( 0.838 -12.314 3.422) 12.808 17.002 ( -2.460 14.041 5.715) 15.358 ======================= Grid point 1156 (542/860) ======================= q-point: ( 0.53 0.16 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 0.701 -12.303 2.054) 12.493 4.765 ( 1.957 -18.386 2.139) 18.613 5.097 ( 8.790 6.933 2.872) 11.557 5.894 ( 2.597 -1.709 -0.956) 3.253 6.712 ( -2.992 -13.003 0.143) 13.344 7.383 ( -0.350 -32.856 -0.232) 32.859 7.456 ( 5.763 14.883 8.268) 17.974 8.228 ( 2.263 -10.551 -4.542) 11.708 13.925 ( -3.317 29.261 -6.483) 30.154 15.512 ( 1.515 -3.782 3.497) 5.369 16.108 ( 1.256 -10.796 1.274) 10.943 16.739 ( -1.750 15.641 7.212) 17.312 ======================= Grid point 1157 (543/860) ======================= q-point: ( 0.58 0.16 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 0.285 -15.233 4.206) 15.805 4.604 ( 8.094 24.905 -1.811) 26.250 5.434 ( 0.532 -20.805 6.967) 21.947 5.913 ( 2.912 0.636 -1.448) 3.313 6.884 ( -3.983 -9.062 1.401) 9.997 7.215 ( -2.242 12.459 -1.565) 12.756 7.927 ( 2.015 -23.418 2.024) 23.591 8.400 ( 4.193 -6.569 -0.426) 7.805 13.419 ( -2.624 21.203 -3.794) 21.699 15.612 ( 0.933 -4.345 2.161) 4.941 16.188 ( 0.540 5.193 -1.403) 5.406 16.596 ( -0.145 0.370 6.940) 6.952 ======================= Grid point 1158 (544/860) ======================= q-point: (-0.37 0.16 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( -0.091 -17.720 6.047) 18.724 4.183 ( 8.363 29.530 2.315) 30.779 5.681 ( -1.842 -3.510 3.577) 5.339 5.937 ( 2.943 -2.032 -2.476) 4.350 6.895 ( -9.270 5.378 -7.511) 13.087 7.047 ( -1.669 -0.673 1.430) 2.298 8.232 ( 1.825 -7.663 0.958) 7.935 8.510 ( 4.813 -0.903 2.749) 5.616 13.138 ( -1.835 6.803 0.189) 7.049 15.685 ( -0.044 -1.823 1.293) 2.236 16.032 ( -0.124 8.179 0.840) 8.223 16.701 ( 1.444 -6.686 -0.660) 6.872 ======================= Grid point 1159 (545/860) ======================= q-point: (-0.32 0.16 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.600 ( -1.900 -16.261 3.874) 16.824 3.748 ( 9.872 28.012 10.548) 31.518 5.592 ( -2.012 12.058 0.540) 12.237 5.966 ( 1.274 -0.418 -4.279) 4.484 6.633 ( -13.310 5.138 -16.121) 21.528 7.067 ( -0.379 1.372 4.622) 4.836 8.219 ( 1.124 10.425 -0.793) 10.515 8.533 ( 4.735 4.957 5.261) 8.641 13.167 ( -1.129 -10.050 5.131) 11.340 15.657 ( -0.581 4.877 0.214) 4.916 15.984 ( -0.267 -1.970 2.131) 2.915 16.811 ( 2.221 -6.662 -8.308) 10.878 ======================= Grid point 1160 (546/860) ======================= q-point: (-0.26 0.16 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 6.322 27.340 8.465) 29.310 3.971 ( 1.381 -15.084 10.410) 18.379 5.233 ( -2.087 25.690 -2.273) 25.874 5.950 ( 0.406 0.126 -4.795) 4.814 6.373 ( -14.492 1.709 -19.698) 24.515 7.019 ( -0.051 5.964 3.848) 7.097 7.897 ( 0.569 25.179 -1.411) 25.225 8.459 ( 4.175 10.398 6.148) 12.781 13.501 ( -0.779 -23.600 9.995) 25.642 15.544 ( -0.678 6.177 -1.656) 6.431 16.050 ( -0.212 -2.517 2.322) 3.431 16.922 ( 2.632 -10.679 -14.387) 18.109 ======================= Grid point 1161 (547/860) ======================= q-point: (-0.21 0.16 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 6.444 23.985 11.809) 27.500 4.234 ( 0.328 -7.392 7.721) 10.694 4.670 ( -1.470 33.088 -3.512) 33.306 5.916 ( -0.089 1.979 -5.452) 5.801 6.158 ( -11.772 0.817 -16.879) 20.595 6.913 ( -0.654 5.983 0.589) 6.047 7.374 ( 0.238 32.042 -0.619) 32.049 8.298 ( 3.637 14.410 6.088) 16.061 14.033 ( -1.030 -29.385 13.847) 32.500 15.433 ( -0.714 3.517 -3.634) 5.107 16.048 ( 0.494 3.324 -1.242) 3.583 17.121 ( 2.449 -17.260 -15.859) 23.567 ======================= Grid point 1162 (548/860) ======================= q-point: (-0.16 0.16 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 6.623 19.451 13.664) 24.676 3.990 ( -2.299 34.745 0.755) 34.830 4.329 ( -0.151 4.428 -2.592) 5.133 5.780 ( -0.554 11.488 -7.946) 13.979 5.967 ( -4.191 9.239 -6.236) 11.909 6.789 ( -2.903 14.554 0.657) 14.855 6.911 ( 0.791 7.366 -1.963) 7.663 8.081 ( 3.351 15.847 5.005) 16.953 14.559 ( -1.775 -20.278 14.034) 24.724 15.429 ( -0.648 -7.649 -2.415) 8.047 15.957 ( 1.222 4.103 -5.845) 7.245 17.390 ( 1.830 -18.222 -15.384) 23.918 ======================= Grid point 1163 (549/860) ======================= q-point: (-0.11 0.16 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 6.657 15.387 14.014) 21.851 3.382 ( -1.315 32.090 4.403) 32.417 4.124 ( -1.720 14.352 -10.289) 17.742 5.348 ( 1.978 33.672 -9.362) 35.005 5.675 ( -1.257 19.393 2.197) 19.558 6.578 ( -1.424 3.871 3.065) 5.139 6.998 ( 1.102 -10.971 -0.545) 11.040 7.860 ( 3.144 13.206 1.607) 13.670 14.762 ( -1.798 -0.787 6.173) 6.478 15.606 ( -0.451 -4.176 -0.027) 4.200 16.027 ( 0.508 -20.437 -1.298) 20.484 17.611 ( 0.730 -12.931 -16.054) 20.627 ======================= Grid point 1164 (550/860) ======================= q-point: (-0.05 0.16 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 5.705 13.097 12.811) 19.188 2.917 ( -0.543 22.527 10.640) 24.920 3.733 ( 1.024 21.847 -14.054) 25.997 4.617 ( 2.325 44.675 -6.794) 45.248 5.286 ( -0.155 25.013 1.729) 25.073 6.607 ( -1.340 -5.584 2.459) 6.247 7.225 ( 5.280 -6.371 10.058) 13.024 7.719 ( 2.918 2.210 -6.934) 7.841 14.710 ( -1.661 6.086 2.453) 6.768 15.572 ( 0.322 2.410 -5.045) 5.600 16.562 ( -1.453 -32.094 9.405) 33.475 17.684 ( -1.085 -4.190 -18.109) 18.619 ======================= Grid point 1169 (551/860) ======================= q-point: ( 0.21 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -0.226 0.000 6.586) 6.590 2.130 ( 4.220 -0.000 -9.652) 10.534 2.720 ( -0.389 0.000 10.470) 10.477 3.830 ( 4.072 -0.000 -4.529) 6.090 4.154 ( 35.792 -0.000 12.473) 37.903 6.867 ( -13.437 0.000 -6.030) 14.728 7.188 ( 3.676 -0.000 -7.720) 8.551 8.945 ( 15.565 -0.000 7.592) 17.318 13.956 ( 1.266 -0.000 1.122) 1.692 15.625 ( -5.302 0.000 1.276) 5.453 16.240 ( 1.371 -0.000 -1.455) 1.999 18.184 ( -8.076 0.000 1.702) 8.254 ======================= Grid point 1170 (552/860) ======================= q-point: ( 0.26 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 3.695 -6.325 -7.441) 10.441 2.179 ( 1.002 -27.975 1.400) 28.028 2.727 ( -3.289 2.784 10.380) 11.239 3.958 ( 4.438 -12.381 -2.827) 13.452 4.565 ( 36.160 -6.559 11.405) 38.479 6.674 ( -12.909 4.671 -8.251) 16.017 7.202 ( 3.723 -1.634 -6.464) 7.637 9.029 ( 13.713 8.107 8.156) 17.897 14.072 ( 0.553 -10.497 1.895) 10.681 15.530 ( -3.276 5.000 1.212) 6.099 16.422 ( -0.856 -17.567 -1.921) 17.693 17.998 ( -8.098 13.760 0.627) 15.978 ======================= Grid point 1171 (553/860) ======================= q-point: ( 0.32 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 4.262 -0.724 -10.460) 11.318 2.708 ( -3.502 -0.309 8.894) 9.564 2.930 ( 0.874 -47.418 2.521) 47.493 4.285 ( 3.894 -20.591 -0.063) 20.956 5.065 ( 33.374 -11.125 10.965) 36.849 6.449 ( -10.888 4.794 -8.179) 14.437 7.244 ( 3.316 -3.694 -7.548) 9.034 8.966 ( 11.567 14.416 7.219) 19.843 14.307 ( -0.592 -13.765 2.679) 14.035 15.451 ( -1.492 2.203 1.708) 3.162 16.727 ( -3.044 -17.718 -3.126) 18.248 17.599 ( -7.587 23.347 1.306) 24.583 ======================= Grid point 1172 (554/860) ======================= q-point: ( 0.37 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 4.073 -2.748 -7.399) 8.882 2.808 ( -2.308 -10.126 7.462) 12.789 3.820 ( 1.993 -50.000 0.681) 50.045 4.718 ( 3.869 -23.451 2.492) 23.898 5.568 ( 27.601 -10.580 10.520) 31.376 6.268 ( -8.703 1.889 -8.152) 12.074 7.321 ( 2.545 -6.685 -8.172) 10.860 8.788 ( 9.302 18.529 5.876) 21.550 14.545 ( -0.875 -11.914 2.556) 12.217 15.447 ( -0.398 -1.650 2.461) 2.990 16.805 ( -3.859 12.375 -9.193) 15.891 17.212 ( -6.465 6.497 8.176) 12.282 ======================= Grid point 1173 (555/860) ======================= q-point: ( 0.42 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 4.146 -5.227 -2.194) 7.024 3.112 ( -1.089 -22.239 6.440) 23.178 4.697 ( 3.807 -45.334 -1.086) 45.507 5.179 ( 5.351 -21.919 4.679) 23.043 5.905 ( 10.630 -2.819 4.711) 11.964 6.218 ( 0.623 -6.156 -4.463) 7.629 7.458 ( 2.769 -10.688 -6.484) 12.804 8.530 ( 6.732 20.619 4.496) 22.151 14.723 ( -0.564 -7.245 1.081) 7.347 15.526 ( 0.390 -5.845 2.970) 6.568 16.271 ( -4.003 31.784 -4.882) 32.405 17.229 ( -4.398 -1.846 6.406) 7.986 ======================= Grid point 1174 (556/860) ======================= q-point: ( 0.47 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 3.954 -6.479 2.186) 7.899 3.623 ( -0.057 -31.859 6.800) 32.577 5.366 ( 9.407 -19.119 -1.796) 21.383 5.567 ( 4.260 -13.025 2.079) 13.861 6.053 ( -4.502 -21.423 -1.718) 21.959 6.395 ( 5.378 -8.861 1.511) 10.474 7.687 ( 5.296 -13.194 -1.651) 14.313 8.221 ( 3.255 20.327 2.086) 20.691 14.742 ( -1.205 6.690 -3.812) 7.794 15.664 ( 0.845 0.707 0.657) 1.283 15.746 ( -1.822 11.909 3.698) 12.602 17.192 ( -3.023 6.209 6.335) 9.371 ======================= Grid point 1175 (557/860) ======================= q-point: ( 0.53 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 3.540 -8.068 4.942) 10.102 4.259 ( 0.634 -34.694 7.285) 35.456 5.408 ( 7.887 12.580 -2.680) 15.088 5.826 ( 3.940 -10.208 -0.869) 10.977 6.444 ( -1.978 -15.727 -1.685) 15.940 6.761 ( -0.046 -33.419 3.056) 33.558 7.841 ( 4.643 18.278 5.912) 19.764 8.020 ( 2.226 -11.699 -4.180) 12.621 14.376 ( -2.678 26.770 -7.975) 28.061 15.524 ( 0.929 2.446 5.153) 5.779 15.918 ( 1.001 -11.976 3.081) 12.406 17.025 ( -1.944 13.308 6.992) 15.158 ======================= Grid point 1176 (558/860) ======================= q-point: ( 0.58 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 3.072 -10.584 6.669) 12.882 4.830 ( 2.949 -17.728 3.277) 18.268 5.229 ( 4.222 5.687 1.870) 7.325 5.945 ( 5.211 -0.511 -1.378) 5.414 6.656 ( -4.253 -13.036 0.742) 13.732 7.332 ( -3.791 -14.478 -2.546) 15.181 7.564 ( 1.413 -0.379 1.831) 2.344 8.285 ( 5.979 -11.244 1.919) 12.878 13.814 ( -2.654 27.943 -6.846) 28.892 15.575 ( 1.266 -2.691 4.980) 5.800 16.133 ( 1.077 -9.063 -0.017) 9.127 16.788 ( -1.047 14.497 8.136) 16.657 ======================= Grid point 1177 (559/860) ======================= q-point: ( 0.63 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 2.517 -13.554 7.646) 15.765 4.732 ( 8.382 22.182 0.506) 23.718 5.492 ( -1.229 -17.859 6.503) 19.046 5.956 ( 4.061 1.754 -1.808) 4.779 6.820 ( -5.645 -6.668 0.188) 8.739 7.079 ( -7.046 11.604 -7.043) 15.294 7.981 ( 2.049 -22.372 1.237) 22.500 8.505 ( 5.917 -6.280 3.927) 9.480 13.342 ( -2.208 18.933 -4.099) 19.497 15.655 ( 0.682 -2.644 4.071) 4.902 16.179 ( 0.232 5.040 -1.994) 5.425 16.660 ( 0.474 2.041 6.153) 6.500 ======================= Grid point 1178 (560/860) ======================= q-point: (-0.32 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( 1.466 -15.587 7.102) 17.192 4.380 ( 10.296 27.069 7.272) 29.860 5.681 ( -1.963 -1.665 3.264) 4.157 5.955 ( 2.330 0.199 -3.043) 3.838 6.594 ( -13.868 11.250 -14.522) 23.016 7.050 ( -0.962 -4.855 3.409) 6.010 8.262 ( 1.475 -6.685 -0.369) 6.856 8.634 ( 5.113 -0.726 4.980) 7.174 13.109 ( -1.669 3.759 -0.079) 4.114 15.705 ( -0.196 -0.200 3.355) 3.366 16.036 ( 0.051 7.223 0.178) 7.226 16.712 ( 1.342 -3.510 -1.795) 4.165 ======================= Grid point 1179 (561/860) ======================= q-point: (-0.26 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.592 ( -1.226 -6.384 1.082) 6.590 4.086 ( 13.429 18.913 18.866) 29.899 5.566 ( -1.765 13.767 0.477) 13.888 5.937 ( 0.447 0.723 -5.162) 5.231 6.225 ( -15.266 6.920 -19.303) 25.565 7.107 ( -0.144 0.818 4.458) 4.535 8.226 ( 0.998 11.184 -1.332) 11.307 8.656 ( 4.079 5.073 4.908) 8.152 13.194 ( -1.256 -13.255 4.751) 14.137 15.660 ( -0.583 6.322 2.380) 6.780 16.000 ( 0.206 -2.435 1.375) 2.804 16.759 ( 1.538 -3.749 -9.249) 10.097 ======================= Grid point 1180 (562/860) ======================= q-point: (-0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( 2.230 19.074 3.625) 19.543 4.199 ( 9.301 -4.080 18.579) 21.174 5.182 ( -1.622 26.701 -1.991) 26.824 5.903 ( -2.381 -1.720 -10.909) 11.297 5.950 ( -11.114 1.919 -15.005) 18.771 7.055 ( 0.032 6.787 3.592) 7.679 7.894 ( 0.699 25.439 -1.483) 25.492 8.571 ( 3.271 10.248 4.178) 11.540 13.575 ( -1.292 -26.224 9.351) 27.871 15.528 ( -0.556 7.999 0.423) 8.029 16.068 ( 0.475 -1.940 1.196) 2.328 16.820 ( 1.373 -9.426 -14.246) 17.137 ======================= Grid point 1181 (563/860) ======================= q-point: (-0.16 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( 3.529 20.126 7.131) 21.641 4.358 ( 3.437 3.477 9.921) 11.060 4.630 ( 0.483 31.340 -2.451) 31.439 5.814 ( -7.511 -2.561 -11.455) 13.936 5.894 ( 0.674 -2.199 -8.058) 8.380 6.922 ( 0.049 8.824 1.558) 8.961 7.374 ( 0.424 31.571 -0.659) 31.580 8.396 ( 2.906 14.041 3.214) 14.694 14.136 ( -1.917 -30.954 13.090) 33.663 15.397 ( -0.409 4.928 -2.034) 5.347 16.039 ( 0.978 5.173 -3.049) 6.084 17.007 ( 0.806 -17.535 -13.811) 22.336 ======================= Grid point 1182 (564/860) ======================= q-point: (-0.11 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 3.041 16.468 6.968) 18.138 3.971 ( -1.064 33.380 1.293) 33.422 4.330 ( 2.758 12.161 -1.704) 12.585 5.696 ( -1.317 10.354 -5.505) 11.800 5.915 ( 3.837 2.758 -3.505) 5.883 6.767 ( -1.367 13.237 2.016) 13.459 6.919 ( 1.652 9.891 -1.232) 10.104 8.164 ( 2.886 15.839 1.755) 16.195 14.653 ( -2.514 -17.881 13.228) 22.383 15.403 ( -0.546 -10.127 -1.105) 10.202 15.915 ( 1.206 5.257 -7.449) 9.196 17.273 ( -0.037 -17.655 -12.323) 21.530 ======================= Grid point 1183 (565/860) ======================= q-point: (-0.05 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 1.619 12.694 4.222) 13.476 3.411 ( -0.237 29.588 4.164) 29.880 4.073 ( 4.933 18.012 -3.902) 19.079 5.298 ( 2.032 31.783 -7.923) 32.818 5.717 ( 2.852 21.113 3.494) 21.590 6.579 ( -1.791 3.578 2.761) 4.861 7.058 ( 6.085 -15.568 0.708) 16.730 7.913 ( 2.874 15.019 -0.888) 15.318 14.788 ( -1.675 1.892 5.474) 6.029 15.600 ( -0.396 -0.772 0.462) 0.983 16.010 ( -0.809 -26.604 -2.026) 26.693 17.473 ( -1.288 -10.987 -12.073) 16.375 ======================= Grid point 1189 (566/860) ======================= q-point: ( 0.26 0.26 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -0.071 0.000 4.376) 4.377 2.115 ( 5.278 -0.000 -9.581) 10.938 2.779 ( -4.432 0.000 11.473) 12.300 3.857 ( 4.056 -0.000 -4.094) 5.763 4.867 ( 37.185 -0.000 10.786) 38.718 6.559 ( -13.177 0.000 -11.027) 17.183 7.201 ( 3.647 -0.000 -3.169) 4.831 9.245 ( 11.116 -0.000 8.904) 14.243 13.991 ( 1.289 -0.000 1.846) 2.252 15.560 ( -4.381 0.000 1.722) 4.707 16.242 ( 1.371 -0.000 -2.798) 3.115 18.050 ( -8.638 0.000 -1.087) 8.706 ======================= Grid point 1190 (567/860) ======================= q-point: ( 0.32 0.26 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 5.205 -2.057 -8.000) 9.763 2.210 ( 0.679 -31.095 1.855) 31.158 2.758 ( -5.038 3.035 11.125) 12.584 3.994 ( 3.497 -13.338 -2.790) 14.068 5.259 ( 35.346 -5.151 9.899) 37.066 6.379 ( -11.457 2.713 -10.561) 15.816 7.218 ( 3.604 -0.223 -3.114) 4.768 9.289 ( 8.492 8.388 7.839) 14.280 14.102 ( 0.552 -9.684 2.520) 10.022 15.497 ( -2.644 3.296 2.066) 4.704 16.389 ( -0.449 -15.049 -2.958) 15.343 17.856 ( -8.378 12.739 -2.013) 15.379 ======================= Grid point 1191 (568/860) ======================= q-point: ( 0.37 0.26 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 5.926 -0.223 -6.539) 8.827 2.725 ( -3.330 -2.463 7.160) 8.272 2.969 ( -0.006 -45.953 3.948) 46.123 4.330 ( 2.537 -21.971 -0.700) 22.129 5.704 ( 31.566 -8.447 9.447) 34.015 6.193 ( -9.274 3.265 -9.311) 13.541 7.243 ( 3.174 -1.650 -4.299) 5.593 9.174 ( 6.314 14.558 5.519) 16.800 14.325 ( -0.475 -13.042 2.881) 13.364 15.452 ( -1.035 1.079 2.940) 3.298 16.652 ( -2.227 -15.188 -3.399) 15.722 17.476 ( -7.683 20.446 -0.787) 21.856 ======================= Grid point 1192 (569/860) ======================= q-point: ( 0.42 0.26 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 6.281 -3.268 -1.688) 7.279 2.838 ( -2.681 -10.695 7.751) 13.478 3.857 ( 1.558 -50.545 0.901) 50.577 4.778 ( 2.076 -25.854 1.031) 25.958 6.025 ( -5.181 4.530 -5.623) 8.887 6.130 ( 23.286 -8.503 5.475) 25.387 7.305 ( 2.562 -5.695 -4.330) 7.599 8.943 ( 4.299 18.488 3.430) 19.289 14.555 ( -0.675 -11.593 2.284) 11.835 15.473 ( 0.013 -2.288 3.672) 4.327 16.671 ( -2.940 15.029 -7.442) 17.026 17.172 ( -6.119 1.656 5.530) 8.412 ======================= Grid point 1193 (570/860) ======================= q-point: ( 0.47 0.26 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 6.199 -5.158 3.879) 8.949 3.154 ( -1.520 -23.283 7.154) 24.405 4.749 ( 3.323 -46.867 -0.458) 46.987 5.268 ( 2.595 -26.066 1.920) 26.265 5.879 ( -6.475 2.553 -6.818) 9.744 6.411 ( 15.905 -1.716 4.196) 16.538 7.475 ( 4.053 -12.508 -1.641) 13.250 8.632 ( 2.184 20.993 1.900) 21.192 14.721 ( -0.454 -5.910 0.364) 5.939 15.568 ( 0.809 -6.089 3.830) 7.239 16.171 ( -3.058 28.849 -4.132) 29.303 17.221 ( -3.709 -3.000 6.111) 7.753 ======================= Grid point 1194 (571/860) ======================= q-point: ( 0.53 0.26 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 5.430 -5.464 7.265) 10.589 3.688 ( -0.279 -33.050 7.711) 33.939 5.485 ( 7.321 -27.386 -1.432) 28.384 5.603 ( 1.109 -2.114 -4.265) 4.888 5.946 ( -5.689 -28.894 -1.058) 29.467 6.520 ( 6.161 -1.272 2.551) 6.789 7.777 ( 5.864 -15.941 1.109) 17.021 8.261 ( 0.059 22.472 0.773) 22.485 14.682 ( -1.113 11.298 -4.614) 12.255 15.685 ( 0.318 8.824 1.813) 9.014 15.765 ( -0.216 -1.884 3.667) 4.129 17.210 ( -2.189 5.217 6.683) 8.756 ======================= Grid point 1195 (572/860) ======================= q-point: ( 0.58 0.26 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 4.613 -6.831 8.668) 11.962 4.342 ( 0.730 -35.063 8.158) 36.007 5.438 ( 1.013 10.217 -5.711) 11.748 5.918 ( 7.918 -11.067 -0.707) 13.626 6.379 ( -3.982 -15.657 -1.614) 16.236 6.796 ( 0.321 -30.059 3.771) 30.297 7.825 ( -4.030 20.501 -3.933) 21.260 8.134 ( 7.474 -12.659 5.009) 15.531 14.265 ( -2.016 27.739 -7.440) 28.790 15.590 ( 0.721 0.993 5.873) 6.000 15.960 ( 1.192 -11.132 1.840) 11.346 17.068 ( -1.077 12.499 7.350) 14.540 ======================= Grid point 1196 (573/860) ======================= q-point: ( 0.63 0.26 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 3.884 -9.363 8.952) 13.524 4.924 ( 4.040 -18.297 4.732) 19.326 5.263 ( -0.986 2.262 -0.047) 2.468 6.033 ( 6.741 2.183 -1.604) 7.265 6.591 ( -4.480 -14.040 1.262) 14.791 7.215 ( -6.741 4.672 -3.321) 8.848 7.569 ( 0.087 -16.305 -1.588) 16.383 8.425 ( 6.192 -10.505 4.651) 13.051 13.713 ( -2.028 27.067 -6.294) 27.863 15.645 ( 0.822 -2.009 6.262) 6.628 16.141 ( 0.782 -7.014 -1.612) 7.240 16.855 ( -0.004 13.528 7.878) 15.654 ======================= Grid point 1197 (574/860) ======================= q-point: (-0.32 0.26 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 3.010 -12.067 8.132) 14.860 4.880 ( 7.544 17.291 2.284) 19.003 5.518 ( -2.363 -16.871 5.899) 18.028 6.007 ( 3.841 3.806 -1.562) 5.628 6.657 ( -10.144 10.617 -7.448) 16.465 6.944 ( -3.885 -2.496 -0.646) 4.663 8.012 ( 1.376 -22.047 -0.316) 22.092 8.638 ( 4.773 -5.892 4.500) 8.818 13.273 ( -1.776 17.112 -3.728) 17.603 15.709 ( 0.231 -1.257 5.789) 5.929 16.157 ( -0.089 4.330 -2.927) 5.227 16.725 ( 1.277 4.510 4.784) 6.698 ======================= Grid point 1198 (575/860) ======================= q-point: (-0.26 0.26 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( 1.491 -12.327 5.340) 13.516 4.642 ( 10.358 20.068 10.915) 25.083 5.682 ( -1.558 -0.553 3.381) 3.764 5.957 ( 1.547 3.716 -3.342) 5.232 6.209 ( -14.788 15.006 -15.424) 26.110 7.071 ( -0.603 -6.609 3.576) 7.539 8.275 ( 1.141 -6.160 -1.158) 6.370 8.748 ( 3.355 -0.519 3.872) 5.149 13.083 ( -1.474 1.190 -0.029) 1.895 15.739 ( -0.514 1.089 5.082) 5.222 16.035 ( 0.097 5.766 -0.840) 5.828 16.713 ( 1.508 0.304 -2.654) 3.068 ======================= Grid point 1199 (576/860) ======================= q-point: (-0.21 0.26 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( -0.634 -2.198 0.671) 2.383 4.499 ( 13.069 13.360 20.173) 27.499 5.545 ( -1.627 15.701 0.806) 15.806 5.753 ( -11.381 6.419 -20.495) 24.306 5.942 ( -1.899 2.773 -2.876) 4.423 7.141 ( -0.363 0.556 3.587) 3.648 8.228 ( 0.952 11.507 -1.552) 11.650 8.745 ( 2.296 5.049 2.636) 6.141 13.214 ( -1.414 -15.902 4.160) 16.497 15.680 ( -0.718 7.441 3.920) 8.441 16.016 ( 0.564 -3.258 0.617) 3.364 16.693 ( 1.093 -0.362 -9.210) 9.282 ======================= Grid point 1200 (577/860) ======================= q-point: (-0.16 0.26 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( -0.576 13.254 0.854) 13.293 4.541 ( 8.502 5.637 16.187) 19.133 5.152 ( 0.026 26.741 -0.449) 26.745 5.562 ( -6.855 -5.523 -17.171) 19.296 5.893 ( 0.208 1.367 -2.067) 2.487 7.082 ( -0.423 7.024 2.576) 7.494 7.893 ( 0.882 25.490 -1.459) 25.547 8.639 ( 1.824 9.781 1.326) 10.038 13.630 ( -1.895 -28.389 7.830) 29.510 15.531 ( -0.485 9.511 1.924) 9.715 16.088 ( 1.125 -0.998 0.224) 1.520 16.707 ( 0.257 -8.285 -12.483) 14.984 ======================= Grid point 1201 (578/860) ======================= q-point: (-0.11 0.26 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( -1.007 16.773 0.868) 16.825 4.460 ( 0.235 16.250 3.930) 16.720 4.656 ( 3.463 26.056 -0.532) 26.291 5.676 ( 1.576 -9.872 -3.261) 10.515 5.883 ( 3.475 -1.880 -2.848) 4.870 6.934 ( -0.144 9.290 1.065) 9.352 7.376 ( 0.620 31.410 -0.651) 31.422 8.450 ( 1.858 13.367 0.039) 13.495 14.209 ( -2.884 -32.630 10.639) 34.441 15.382 ( -0.066 6.413 -0.585) 6.439 16.024 ( 1.362 7.413 -4.125) 8.592 16.896 ( -0.560 -17.799 -10.147) 20.495 ======================= Grid point 1202 (579/860) ======================= q-point: (-0.05 0.26 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -2.302 14.363 -2.070) 14.693 3.980 ( 0.311 32.416 1.941) 32.476 4.393 ( 5.971 13.501 0.341) 14.767 5.654 ( 0.873 11.279 -2.730) 11.638 6.018 ( 9.266 1.641 1.566) 9.540 6.774 ( -0.709 15.058 2.655) 15.307 6.943 ( 2.790 5.559 -1.034) 6.305 8.206 ( 2.126 15.426 -1.403) 15.634 14.719 ( -3.151 -16.727 10.485) 19.992 15.390 ( -0.512 -12.170 0.065) 12.181 15.862 ( 1.137 7.288 -7.515) 10.531 17.165 ( -1.417 -16.828 -8.080) 18.722 ======================= Grid point 1209 (580/860) ======================= q-point: ( 0.32 0.32 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -0.351 0.000 2.741) 2.764 2.134 ( 6.542 -0.000 -6.356) 9.121 2.798 ( -6.100 0.000 11.295) 12.837 3.885 ( 3.875 -0.000 -3.759) 5.399 5.532 ( 32.442 -0.000 6.244) 33.038 6.272 ( -8.699 0.000 -8.726) 12.321 7.241 ( 3.368 -0.000 -0.588) 3.419 9.458 ( 5.001 -0.000 7.883) 9.336 14.031 ( 1.132 -0.000 2.474) 2.721 15.516 ( -3.137 0.000 2.169) 3.814 16.232 ( 1.246 -0.000 -3.924) 4.117 17.886 ( -8.482 0.000 -3.898) 9.335 ======================= Grid point 1210 (581/860) ======================= q-point: ( 0.37 0.32 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 5.737 -4.654 -4.007) 8.404 2.237 ( 1.387 -27.848 1.059) 27.903 2.771 ( -6.179 2.172 11.268) 13.033 4.023 ( 3.225 -13.494 -2.676) 14.130 5.820 ( 20.232 -5.366 -3.214) 21.177 6.187 ( 2.637 2.658 1.011) 3.878 7.257 ( 3.088 0.928 -0.558) 3.272 9.443 ( 2.479 8.417 5.848) 10.544 14.135 ( 0.423 -8.899 2.900) 9.369 15.483 ( -1.766 1.799 2.774) 3.749 16.353 ( -0.119 -13.327 -3.709) 13.835 17.691 ( -7.872 11.665 -4.527) 14.783 ======================= Grid point 1211 (582/860) ======================= q-point: ( 0.42 0.32 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 7.607 -0.615 -1.448) 7.768 2.737 ( -3.674 -4.262 7.811) 9.627 2.997 ( -0.958 -45.387 3.590) 45.538 4.361 ( 2.273 -22.341 -0.950) 22.477 5.905 ( -4.667 -2.780 -13.826) 14.855 6.335 ( 25.212 -1.038 12.124) 27.995 7.262 ( 2.132 -0.133 -1.240) 2.470 9.273 ( 0.970 14.342 2.982) 14.681 14.344 ( -0.413 -12.322 2.790) 12.641 15.471 ( -0.444 0.001 3.745) 3.772 16.593 ( -1.280 -13.509 -3.101) 13.919 17.337 ( -7.008 17.567 -3.081) 19.163 ======================= Grid point 1212 (583/860) ======================= q-point: ( 0.47 0.32 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 7.814 -4.292 3.710) 9.656 2.863 ( -3.628 -11.319 8.542) 14.637 3.885 ( 0.874 -51.382 0.879) 51.397 4.814 ( 1.638 -26.618 0.421) 26.671 5.813 ( -6.416 0.421 -11.277) 12.981 6.595 ( 21.000 1.186 7.766) 22.421 7.325 ( 2.467 -6.741 0.126) 7.179 8.995 ( -0.264 18.167 0.812) 18.187 14.565 ( -0.510 -11.158 1.870) 11.325 15.515 ( 0.514 -2.885 4.247) 5.160 16.570 ( -2.040 17.451 -5.699) 18.471 17.120 ( -4.881 -3.571 3.074) 6.784 ======================= Grid point 1213 (584/860) ======================= q-point: ( 0.53 0.32 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 6.794 -4.802 8.273) 11.733 3.194 ( -2.247 -24.854 7.836) 26.156 4.794 ( 2.448 -48.725 -0.143) 48.787 5.314 ( 1.577 -27.575 0.929) 27.636 5.692 ( -6.240 1.745 -9.373) 11.394 6.667 ( 10.318 6.869 2.681) 12.682 7.564 ( 5.848 -14.392 3.282) 15.878 8.642 ( -1.549 20.869 -0.477) 20.932 14.715 ( -0.328 -4.283 -0.187) 4.299 15.622 ( 1.260 -6.221 3.993) 7.499 16.095 ( -2.171 26.185 -3.084) 26.455 17.223 ( -2.360 -4.762 5.236) 7.461 ======================= Grid point 1214 (585/860) ======================= q-point: ( 0.58 0.32 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 5.109 -4.534 9.778) 11.928 3.756 ( -0.677 -34.578 8.416) 35.593 5.527 ( -2.148 4.887 -8.725) 10.228 5.583 ( 5.480 -34.244 -0.515) 34.684 5.868 ( -3.463 -32.677 0.251) 32.861 6.619 ( 3.038 3.013 2.087) 4.761 7.890 ( 5.293 -12.391 3.072) 13.820 8.244 ( -2.025 19.982 -0.549) 20.092 14.623 ( -0.838 15.033 -4.487) 15.711 15.707 ( -0.212 10.119 2.851) 10.515 15.802 ( 1.034 -7.455 2.579) 7.956 17.245 ( -0.881 4.168 6.292) 7.599 ======================= Grid point 1215 (586/860) ======================= q-point: ( 0.63 0.32 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 3.926 -6.098 9.483) 11.939 4.432 ( 0.305 -36.046 8.780) 37.101 5.360 ( -2.488 7.050 -7.157) 10.350 6.046 ( 8.091 -11.458 -1.215) 14.079 6.290 ( -5.173 -15.866 -1.011) 16.719 6.837 ( 0.175 -27.517 3.978) 27.803 7.710 ( -4.794 22.807 -3.945) 23.637 8.285 ( 5.152 -12.523 4.318) 14.214 14.173 ( -1.405 28.545 -6.178) 29.240 15.655 ( 0.350 -0.367 6.185) 6.205 15.990 ( 1.254 -9.709 0.185) 9.791 17.127 ( 0.181 11.741 6.815) 13.577 ======================= Grid point 1216 (587/860) ======================= q-point: (-0.32 -0.68 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 3.054 -8.660 8.195) 12.308 5.045 ( 4.154 -20.142 6.226) 21.488 5.200 ( -5.170 -1.035 -2.381) 5.785 6.105 ( 3.059 3.929 -2.197) 5.443 6.551 ( -1.267 -14.600 1.451) 14.727 7.077 ( -6.619 18.402 -1.302) 19.599 7.552 ( -0.021 -26.031 -2.045) 26.112 8.547 ( 3.660 -10.231 3.489) 11.412 13.632 ( -1.471 26.566 -5.022) 27.077 15.717 ( 0.264 -1.740 7.127) 7.341 16.128 ( 0.374 -4.964 -3.218) 5.928 16.933 ( 1.312 12.978 6.564) 14.603 ======================= Grid point 1217 (588/860) ======================= q-point: (-0.26 -0.68 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 2.194 -10.830 5.953) 12.551 4.985 ( 2.028 9.951 0.693) 10.179 5.537 ( -1.594 -16.833 5.760) 17.863 6.036 ( 0.620 3.827 -1.478) 4.149 6.432 ( -6.457 25.913 -6.147) 27.403 6.913 ( -1.834 -10.578 2.370) 10.994 8.023 ( 0.838 -22.164 -1.102) 22.207 8.728 ( 2.042 -5.857 2.477) 6.679 13.217 ( -1.354 15.790 -2.706) 16.077 15.768 ( -0.336 -0.194 7.026) 7.037 16.120 ( -0.450 3.378 -4.129) 5.354 16.791 ( 2.256 7.210 3.110) 8.170 ======================= Grid point 1218 (589/860) ======================= q-point: (-0.21 0.32 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( 1.147 -9.546 3.004) 10.073 4.850 ( 2.539 8.633 5.084) 10.335 5.696 ( -0.968 0.064 2.954) 3.109 5.869 ( -6.734 24.587 -7.552) 26.588 5.971 ( 0.046 3.264 -1.183) 3.472 7.092 ( -0.625 -7.287 2.851) 7.849 8.279 ( 0.874 -6.041 -1.528) 6.292 8.807 ( 0.795 -0.661 1.171) 1.563 13.062 ( -1.279 -0.660 0.401) 1.493 15.780 ( -0.909 2.129 6.119) 6.542 16.021 ( -0.086 3.744 -2.192) 4.339 16.715 ( 2.014 4.371 -2.961) 5.651 ======================= Grid point 1219 (590/860) ======================= q-point: (-0.16 0.32 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( -0.262 0.417 0.944) 1.065 4.756 ( -1.066 5.712 1.508) 6.003 5.479 ( 0.361 10.241 -2.468) 10.540 5.559 ( 0.444 16.436 1.649) 16.525 5.917 ( 0.065 2.155 -0.723) 2.274 7.159 ( -0.907 0.558 2.388) 2.615 8.229 ( 0.937 11.497 -1.646) 11.652 8.777 ( 0.224 4.540 -0.355) 4.559 13.225 ( -1.592 -17.608 3.489) 18.021 15.706 ( -0.888 8.199 4.283) 9.293 16.028 ( 0.631 -4.726 -0.154) 4.771 16.630 ( 1.045 3.374 -7.799) 8.562 ======================= Grid point 1220 (591/860) ======================= q-point: (-0.11 0.32 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( -2.657 13.415 -0.779) 13.698 4.628 ( -3.516 4.406 -5.897) 8.158 5.173 ( 0.815 27.029 -0.545) 27.047 5.531 ( 9.948 -7.199 8.158) 14.743 5.893 ( 1.410 0.763 -0.030) 1.604 7.088 ( -1.126 7.056 1.432) 7.287 7.896 ( 1.057 25.355 -1.398) 25.416 8.654 ( 0.312 8.899 -1.744) 9.074 13.657 ( -2.488 -29.629 5.659) 30.267 15.545 ( -0.381 10.377 2.258) 10.626 16.110 ( 1.639 0.069 -0.377) 1.683 16.602 ( -0.592 -7.286 -9.018) 11.608 ======================= Grid point 1221 (592/860) ======================= q-point: (-0.05 0.32 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -4.803 16.531 -4.528) 17.800 4.486 ( 1.715 14.294 0.854) 14.422 4.683 ( 2.011 22.883 -3.235) 23.198 5.754 ( 3.955 -0.427 2.862) 4.901 6.000 ( 11.095 -9.706 6.052) 15.935 6.936 ( -0.526 8.339 0.465) 8.368 7.382 ( 0.814 31.487 -0.622) 31.504 8.457 ( 0.781 12.400 -3.023) 12.787 14.236 ( -3.734 -33.785 6.682) 34.641 15.383 ( 0.341 7.423 0.351) 7.439 16.011 ( 1.585 9.619 -3.599) 10.392 16.805 ( -1.501 -17.937 -5.684) 18.876 ======================= Grid point 1229 (593/860) ======================= q-point: ( 0.37 0.37 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -1.037 0.000 1.741) 2.027 2.216 ( 8.074 -0.000 -1.986) 8.315 2.794 ( -7.328 0.000 11.337) 13.499 3.912 ( 3.561 -0.000 -3.546) 5.025 5.817 ( 3.169 -0.000 -14.293) 14.640 6.339 ( 19.199 -0.000 11.380) 22.319 7.296 ( 2.656 -0.000 1.501) 3.051 9.552 ( -0.948 0.000 5.269) 5.354 14.072 ( 0.816 -0.000 2.950) 3.061 15.498 ( -1.850 0.000 2.651) 3.233 16.210 ( 1.017 -0.000 -4.719) 4.827 17.707 ( -7.473 0.000 -6.093) 9.643 ======================= Grid point 1230 (594/860) ======================= q-point: ( 0.42 0.37 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 1.541 -21.630 -0.164) 21.686 2.302 ( 6.000 -11.148 1.010) 12.700 2.767 ( -7.350 1.182 11.693) 13.862 4.049 ( 2.928 -13.573 -2.652) 14.136 5.765 ( -2.426 -1.811 -15.178) 15.477 6.578 ( 23.297 -0.633 12.539) 26.465 7.303 ( 1.623 2.114 1.706) 3.165 9.481 ( -2.573 8.097 2.928) 8.987 14.169 ( 0.192 -8.147 3.060) 8.705 15.490 ( -0.827 0.625 3.292) 3.452 16.316 ( 0.135 -12.594 -4.014) 13.219 17.521 ( -6.571 10.784 -6.359) 14.139 ======================= Grid point 1231 (595/860) ======================= q-point: ( 0.47 0.37 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 7.782 -2.011 2.040) 8.293 2.752 ( -4.755 -4.018 10.253) 11.995 3.004 ( -1.562 -46.731 2.293) 46.813 4.387 ( 2.007 -22.538 -1.154) 22.656 5.701 ( -3.788 -1.305 -13.413) 13.999 6.832 ( 21.615 0.313 10.363) 23.973 7.281 ( -0.187 0.262 1.582) 1.614 9.269 ( -2.922 13.822 0.353) 14.132 14.363 ( -0.404 -11.658 2.538) 11.937 15.506 ( 0.213 -0.907 4.012) 4.119 16.555 ( -0.222 -12.929 -2.117) 13.103 17.195 ( -5.643 15.120 -5.070) 16.917 ======================= Grid point 1232 (596/860) ======================= q-point: ( 0.53 0.37 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 7.541 -5.835 6.512) 11.546 2.877 ( -5.154 -11.685 9.569) 15.958 3.901 ( 0.066 -52.350 0.784) 52.356 4.840 ( 1.159 -26.889 0.098) 26.915 5.621 ( -3.921 0.265 -11.469) 12.124 6.917 ( 10.436 9.439 3.961) 14.618 7.403 ( 4.771 -10.867 5.023) 12.887 8.961 ( -3.106 17.769 -1.247) 18.082 14.573 ( -0.373 -10.702 1.463) 10.808 15.567 ( 1.061 -3.388 4.087) 5.414 16.498 ( -1.244 19.923 -3.934) 20.346 17.076 ( -2.796 -9.033 1.153) 9.526 ======================= Grid point 1233 (597/860) ======================= q-point: ( 0.58 0.37 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 5.196 -4.057 9.510) 11.571 3.225 ( -3.239 -27.120 8.196) 28.516 4.823 ( 1.105 -50.434 0.027) 50.446 5.335 ( -0.428 -27.898 0.890) 27.915 5.520 ( -2.949 2.120 -9.880) 10.527 6.786 ( 2.297 10.561 1.152) 10.869 7.713 ( 6.604 -14.411 5.553) 16.796 8.584 ( -3.561 20.777 -1.950) 21.170 14.708 ( -0.145 -2.677 -0.447) 2.718 15.681 ( 1.679 -6.208 3.411) 7.280 16.042 ( -1.482 23.987 -2.005) 24.116 17.244 ( -0.347 -6.589 4.174) 7.808 ======================= Grid point 1234 (598/860) ======================= q-point: (-0.37 -0.63 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 2.980 -4.004 9.072) 10.354 3.817 ( -1.780 -36.268 8.326) 37.254 5.389 ( -4.558 3.437 -7.777) 9.647 5.655 ( 3.829 -38.670 -0.894) 38.869 5.831 ( -1.159 -27.738 -0.010) 27.762 6.654 ( -0.977 3.036 1.690) 3.610 8.000 ( 4.125 -0.978 3.830) 5.713 8.190 ( -3.202 10.591 -1.633) 11.184 14.574 ( -0.454 17.795 -3.683) 18.178 15.729 ( -0.536 8.062 3.098) 8.653 15.843 ( 1.663 -8.152 1.316) 8.423 17.299 ( 0.919 3.352 5.297) 6.336 ======================= Grid point 1235 (599/860) ======================= q-point: (-0.32 -0.63 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 1.833 -5.961 7.297) 9.599 4.502 ( -1.858 -37.260 7.844) 38.122 5.243 ( -3.733 5.313 -5.825) 8.723 6.116 ( 0.922 -6.531 -3.777) 7.600 6.229 ( -0.138 -21.114 1.478) 21.167 6.871 ( -0.500 -28.044 3.451) 28.260 7.613 ( -3.438 26.800 -1.702) 27.073 8.373 ( 1.853 -13.343 1.955) 13.612 14.105 ( -0.872 29.242 -4.430) 29.588 15.714 ( -0.100 -1.780 5.987) 6.247 16.003 ( 1.123 -7.751 -1.495) 7.974 17.200 ( 1.802 11.226 5.423) 12.597 ======================= Grid point 1236 (600/860) ======================= q-point: (-0.26 -0.63 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 1.123 -8.576 4.823) 9.903 5.055 ( -9.031 -6.647 -3.137) 11.644 5.164 ( 2.891 -17.978 5.953) 19.157 6.080 ( -2.380 3.123 -2.874) 4.866 6.585 ( 3.063 -15.083 1.372) 15.452 6.998 ( -3.559 27.225 3.078) 27.629 7.531 ( -0.289 -30.841 -1.854) 30.898 8.601 ( 0.319 -10.384 0.737) 10.415 13.573 ( -0.983 26.327 -3.183) 26.537 15.784 ( -0.340 -1.862 7.412) 7.650 16.094 ( -0.078 -3.049 -4.651) 5.561 17.019 ( 2.782 12.921 4.418) 13.936 ======================= Grid point 1237 (601/860) ======================= q-point: (-0.21 -0.63 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 0.804 -10.582 2.237) 10.846 4.925 ( -7.153 4.399 -4.284) 9.427 5.569 ( -1.386 -15.270 4.878) 16.090 5.988 ( -2.519 3.512 -2.705) 5.099 6.402 ( 3.151 31.613 4.669) 32.111 6.913 ( -0.960 -12.964 2.251) 13.193 8.021 ( 0.397 -22.461 -1.452) 22.512 8.746 ( -1.010 -6.201 -0.616) 6.312 13.180 ( -0.963 14.971 -1.127) 15.044 15.827 ( -0.931 0.577 7.640) 7.718 16.065 ( -0.821 2.445 -5.391) 5.976 16.857 ( 3.335 9.655 1.224) 10.288 ======================= Grid point 1238 (602/860) ======================= q-point: (-0.16 0.37 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( 0.981 -8.874 1.010) 8.985 4.742 ( -11.122 4.621 -10.502) 15.979 5.669 ( -2.675 3.774 1.805) 4.965 5.868 ( 2.932 10.363 2.812) 11.130 6.031 ( 5.422 14.962 8.769) 18.170 7.102 ( -0.930 -7.215 1.789) 7.491 8.276 ( 0.646 -6.215 -1.734) 6.485 8.795 ( -1.697 -1.292 -2.034) 2.948 13.049 ( -1.107 -1.624 1.178) 2.292 15.821 ( -1.278 3.146 6.237) 7.101 15.990 ( -0.462 1.336 -3.538) 3.810 16.727 ( 2.765 8.000 -2.792) 8.913 ======================= Grid point 1239 (603/860) ======================= q-point: (-0.11 0.37 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.592 ( -0.492 3.542 1.392) 3.838 4.514 ( -11.451 -0.203 -18.483) 21.744 5.530 ( 0.177 12.635 2.969) 12.980 5.739 ( 9.489 10.338 10.909) 17.774 5.953 ( 4.143 4.589 6.946) 9.299 7.156 ( -1.576 0.745 1.248) 2.144 8.228 ( 0.910 11.215 -1.703) 11.380 8.747 ( -1.585 3.521 -3.410) 5.151 13.227 ( -1.765 -18.138 2.845) 18.444 15.726 ( -0.962 8.631 3.165) 9.243 16.032 ( 0.334 -6.822 -0.728) 6.869 16.588 ( 1.385 7.029 -5.067) 8.776 ======================= Grid point 1240 (604/860) ======================= q-point: (-0.05 0.37 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( -5.520 17.074 -3.448) 18.272 4.471 ( -1.582 -7.978 -12.357) 14.793 5.177 ( 0.368 26.708 0.909) 26.726 5.797 ( 5.308 -0.452 5.336) 7.540 6.024 ( 11.816 -2.261 14.382) 18.751 7.072 ( -1.877 6.961 0.539) 7.230 7.901 ( 1.137 25.057 -1.364) 25.119 8.618 ( -0.919 7.699 -4.598) 9.014 13.654 ( -2.954 -29.647 3.194) 29.965 15.558 ( -0.140 10.399 1.351) 10.487 16.134 ( 1.883 0.552 -0.535) 2.034 16.525 ( -1.100 -6.054 -4.276) 7.493 ======================= Grid point 1249 (605/860) ======================= q-point: ( 0.42 0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -2.092 0.000 1.389) 2.511 2.348 ( 8.270 -0.000 0.460) 8.283 2.774 ( -8.432 0.000 12.481) 15.063 3.934 ( 3.160 -0.000 -3.452) 4.680 5.663 ( -1.391 0.000 -15.063) 15.127 6.808 ( 20.583 -0.000 11.838) 23.744 7.352 ( 1.137 -0.000 3.844) 4.008 9.535 ( -4.784 0.000 2.039) 5.200 14.111 ( 0.376 -0.000 3.216) 3.238 15.504 ( -0.680 0.000 3.082) 3.156 16.179 ( 0.714 -0.000 -5.083) 5.133 17.535 ( -5.765 0.000 -7.252) 9.264 ======================= Grid point 1250 (606/860) ======================= q-point: ( 0.47 0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -1.451 -30.240 1.191) 30.298 2.424 ( 6.378 -3.855 0.831) 7.498 2.757 ( -7.826 0.516 13.388) 15.516 4.069 ( 2.544 -13.641 -2.720) 14.140 5.595 ( -1.183 -0.908 -13.898) 13.978 7.030 ( 17.533 -1.864 10.259) 20.400 7.338 ( -0.550 4.288 4.279) 6.083 9.430 ( -4.740 7.633 0.234) 8.988 14.198 ( -0.119 -7.479 3.023) 8.068 15.516 ( 0.078 -0.178 3.482) 3.487 16.284 ( 0.381 -13.022 -3.787) 13.567 17.364 ( -4.732 10.282 -7.156) 13.391 ======================= Grid point 1251 (607/860) ======================= q-point: ( 0.53 0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 4.664 -4.940 2.539) 7.253 2.773 ( -6.110 -2.166 12.952) 14.483 2.994 ( -1.305 -48.622 1.144) 48.653 4.404 ( 1.572 -22.651 -1.401) 22.748 5.539 ( -1.408 -0.591 -12.103) 12.199 7.190 ( 7.854 9.845 5.701) 13.824 7.302 ( 2.849 -6.997 5.657) 9.438 9.204 ( -3.712 13.481 -1.160) 14.031 14.378 ( -0.457 -11.120 2.229) 11.351 15.551 ( 0.892 -1.562 3.631) 4.052 16.550 ( 1.087 -13.651 -0.402) 13.700 17.062 ( -3.900 13.453 -6.475) 15.431 ======================= Grid point 1252 (608/860) ======================= q-point: (-0.42 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 4.847 -8.772 5.520) 11.441 2.872 ( -6.943 -10.929 10.663) 16.773 3.902 ( -0.773 -53.104 0.836) 53.116 4.852 ( 0.315 -26.736 -0.267) 26.739 5.477 ( -1.289 0.474 -9.929) 10.024 7.006 ( -1.948 12.429 2.303) 12.790 7.557 ( 6.186 -11.756 5.261) 14.288 8.891 ( -3.016 17.917 -1.512) 18.232 14.580 ( -0.274 -10.346 1.168) 10.416 15.623 ( 1.605 -3.745 3.183) 5.171 16.454 ( -0.636 22.532 -2.273) 22.656 17.057 ( 0.090 -14.339 0.010) 14.339 ======================= Grid point 1253 (609/860) ======================= q-point: (-0.37 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 1.664 -3.331 7.482) 8.357 3.235 ( -4.727 -29.674 7.667) 31.011 4.828 ( -0.849 -50.894 0.304) 50.902 5.289 ( -4.159 -17.445 -2.021) 18.048 5.450 ( 2.899 -8.103 -5.164) 10.036 6.777 ( -4.299 10.602 1.192) 11.503 7.847 ( 3.472 -14.171 3.158) 14.928 8.511 ( -2.767 21.729 -0.989) 21.926 14.703 ( 0.061 -1.383 -0.386) 1.437 15.738 ( 2.034 -6.012 2.122) 6.692 16.008 ( -1.051 22.443 -0.938) 22.487 17.293 ( 2.293 -7.958 3.019) 8.815 ======================= Grid point 1254 (610/860) ======================= q-point: (-0.32 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -0.244 -4.101 5.648) 6.984 3.840 ( -4.189 -37.541 6.524) 38.334 5.252 ( -5.474 1.374 -3.210) 6.493 5.684 ( 1.967 -39.386 -2.949) 39.545 5.834 ( 1.060 -23.916 0.784) 23.953 6.623 ( -4.494 0.562 1.613) 4.807 8.069 ( -2.413 25.711 0.234) 25.825 8.133 ( 0.739 -14.809 0.912) 14.855 14.541 ( -0.075 19.708 -2.432) 19.858 15.746 ( -0.762 5.577 2.704) 6.244 15.879 ( 1.854 -7.058 0.067) 7.298 17.374 ( 3.142 3.072 3.707) 5.749 ======================= Grid point 1255 (611/860) ======================= q-point: (-0.26 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( -1.173 -6.404 2.776) 7.077 4.497 ( -5.869 -36.429 4.147) 37.131 5.152 ( -3.451 3.333 -0.373) 4.812 6.046 ( -2.643 -5.505 -4.024) 7.314 6.280 ( 2.569 -21.328 1.506) 21.535 6.879 ( -1.773 -31.232 2.211) 31.360 7.570 ( -1.869 28.833 1.570) 28.936 8.382 ( -1.258 -13.423 -0.918) 13.513 14.063 ( -0.430 29.798 -2.341) 29.893 15.761 ( -0.610 -3.270 5.080) 6.073 15.999 ( 0.900 -5.395 -2.745) 6.120 17.286 ( 3.649 11.151 3.217) 12.165 ======================= Grid point 1256 (612/860) ======================= q-point: (-0.21 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( -1.545 -9.412 -0.242) 9.541 4.862 ( -10.559 -5.275 -2.773) 12.125 5.237 ( -0.762 -18.809 5.264) 19.547 6.012 ( -1.767 2.346 -2.873) 4.109 6.639 ( 1.359 -17.168 1.308) 17.271 7.025 ( 0.700 30.644 7.276) 31.503 7.508 ( -0.649 -33.423 -1.469) 33.461 8.571 ( -2.793 -10.662 -2.551) 11.313 13.541 ( -0.561 26.244 -0.922) 26.266 15.841 ( -0.970 -2.472 6.745) 7.249 16.041 ( -0.446 -1.134 -5.432) 5.567 17.105 ( 4.257 13.283 1.637) 14.044 ======================= Grid point 1257 (613/860) ======================= q-point: (-0.16 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( -0.872 -12.289 -2.191) 12.513 4.709 ( -11.770 6.739 -6.313) 14.960 5.564 ( -3.643 -13.258 3.097) 14.094 5.951 ( 0.549 2.428 -1.683) 3.004 6.566 ( 5.529 27.341 12.547) 30.586 6.920 ( -0.265 -13.052 1.252) 13.115 8.010 ( 0.025 -22.826 -1.623) 22.884 8.686 ( -3.591 -6.873 -3.917) 8.688 13.165 ( -0.625 14.649 0.846) 14.687 15.878 ( -1.481 0.991 7.412) 7.623 15.994 ( -1.117 1.773 -6.225) 6.568 16.922 ( 4.369 11.534 -0.894) 12.366 ======================= Grid point 1258 (614/860) ======================= q-point: (-0.11 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.530 ( 1.061 -11.267 -0.959) 11.358 4.398 ( -14.399 9.550 -14.330) 22.447 5.660 ( -2.075 0.015 3.664) 4.211 5.904 ( 1.556 3.999 -1.047) 4.417 6.304 ( 9.690 17.427 18.117) 26.941 7.095 ( -1.325 -6.612 0.879) 6.800 8.268 ( 0.436 -6.606 -1.888) 6.884 8.717 ( -3.543 -2.360 -5.059) 6.612 13.048 ( -0.983 -1.632 2.185) 2.899 15.850 ( -1.534 4.549 4.463) 6.555 15.944 ( -0.829 -1.373 -3.321) 3.688 16.753 ( 3.480 10.505 -2.609) 11.370 ======================= Grid point 1259 (615/860) ======================= q-point: (-0.05 0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( -2.839 10.890 0.791) 11.282 4.173 ( -7.041 -10.013 -18.521) 22.200 5.561 ( -0.023 13.925 3.802) 14.435 5.849 ( 1.683 1.894 -0.075) 2.535 6.264 ( 12.621 7.569 20.528) 25.258 7.132 ( -2.193 1.085 0.499) 2.497 8.226 ( 0.784 10.741 -1.785) 10.917 8.667 ( -2.700 2.162 -5.977) 6.906 13.221 ( -1.903 -17.449 2.266) 17.698 15.731 ( -0.857 8.540 0.943) 8.635 16.027 ( -0.108 -8.710 -0.536) 8.727 16.582 ( 1.814 9.711 -2.040) 10.088 ======================= Grid point 1269 (616/860) ======================= q-point: ( 0.47 0.47 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -3.458 0.000 1.676) 3.842 2.459 ( 4.156 -0.000 -0.735) 4.221 2.766 ( -7.576 0.000 14.945) 16.756 3.950 ( 2.720 -0.000 -3.463) 4.403 5.521 ( 0.309 -0.000 -13.325) 13.329 7.157 ( 8.761 -0.000 7.155) 11.311 7.422 ( 2.126 -0.000 7.676) 7.965 9.461 ( -4.256 0.000 -0.108) 4.257 14.143 ( -0.135 0.000 3.215) 3.218 15.531 ( 0.344 -0.000 3.238) 3.256 16.140 ( 0.365 -0.000 -4.945) 4.959 17.389 ( -3.710 0.000 -7.157) 8.062 ======================= Grid point 1270 (617/860) ======================= q-point: (-0.47 -0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -3.253 -33.346 2.251) 33.580 2.481 ( -0.350 -2.555 -0.453) 2.618 2.780 ( -5.052 -0.071 14.330) 15.194 4.081 ( 2.104 -13.646 -2.876) 14.104 5.471 ( 0.649 -0.373 -11.873) 11.896 7.247 ( -1.669 -2.768 5.188) 6.112 7.422 ( 5.195 6.203 6.926) 10.650 9.365 ( -1.951 7.712 -0.341) 7.962 14.220 ( -0.486 -6.967 2.795) 7.522 15.556 ( 0.922 -0.589 3.127) 3.312 16.260 ( 0.750 -14.815 -3.074) 15.149 17.238 ( -2.743 10.266 -6.661) 12.541 ======================= Grid point 1271 (618/860) ======================= q-point: (-0.42 -0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -1.811 -7.846 2.326) 8.381 2.782 ( -7.158 -6.855 11.256) 14.997 2.994 ( -0.419 -44.036 2.233) 44.094 4.411 ( 1.017 -22.568 -1.750) 22.659 5.431 ( 0.550 -0.137 -9.453) 9.470 7.177 ( -8.696 8.386 5.162) 13.137 7.468 ( 5.073 -4.645 2.288) 7.248 9.158 ( -0.310 14.371 -0.012) 14.374 14.389 ( -0.579 -10.792 1.928) 10.978 15.600 ( 1.544 -1.939 2.581) 3.579 16.588 ( 2.934 -16.117 1.779) 16.478 16.949 ( -2.181 13.134 -7.050) 15.065 ======================= Grid point 1272 (619/860) ======================= q-point: (-0.37 -0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -1.217 -15.224 1.743) 15.371 2.854 ( -7.466 -6.884 10.881) 14.884 3.892 ( -1.585 -53.259 1.175) 53.296 4.843 ( -0.631 -25.761 -0.857) 25.783 5.401 ( 1.256 -0.187 -6.030) 6.163 6.935 ( -8.879 11.659 2.873) 14.934 7.639 ( -0.158 -11.312 -0.254) 11.316 8.861 ( 0.110 19.150 0.954) 19.174 14.586 ( -0.250 -10.191 1.030) 10.246 15.677 ( 2.104 -3.919 1.681) 4.755 16.432 ( -0.296 24.828 -0.976) 24.849 17.086 ( 3.767 -18.582 -0.293) 18.962 ======================= Grid point 1273 (620/860) ======================= q-point: (-0.32 -0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -2.654 -3.454 2.973) 5.274 3.204 ( -7.118 -31.399 6.180) 32.783 4.801 ( -3.084 -48.542 0.955) 48.650 5.213 ( -2.051 -13.990 -1.911) 14.268 5.480 ( 3.779 -13.465 -1.079) 14.026 6.683 ( -8.337 9.096 1.396) 12.417 7.845 ( -4.348 -14.228 -2.967) 15.171 8.503 ( 0.839 22.285 2.788) 22.475 14.703 ( 0.184 -0.589 -0.055) 0.620 15.785 ( 2.319 -5.517 0.214) 5.989 15.989 ( -0.828 21.520 0.259) 21.538 17.377 ( 5.427 -8.373 1.624) 10.109 ======================= Grid point 1274 (621/860) ======================= q-point: (-0.26 -0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( -4.144 -4.703 0.349) 6.278 3.797 ( -6.966 -37.912 4.001) 38.754 5.161 ( -5.503 -0.885 3.067) 6.361 5.679 ( 2.334 -34.428 -4.759) 34.833 5.871 ( 1.656 -24.843 1.822) 24.965 6.545 ( -6.623 -2.791 1.544) 7.351 7.945 ( -8.479 4.764 -3.077) 10.201 8.204 ( 2.915 5.577 2.743) 6.865 14.526 ( 0.193 20.842 -0.914) 20.863 15.754 ( -0.987 3.728 1.852) 4.278 15.905 ( 1.876 -5.419 -0.965) 5.815 17.470 ( 5.579 3.579 1.450) 6.785 ======================= Grid point 1275 (622/860) ======================= q-point: (-0.21 -0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -4.868 -7.420 -2.854) 9.322 4.403 ( -7.948 -33.375 1.842) 34.357 5.116 ( -4.061 1.152 4.571) 6.222 5.983 ( -0.024 -4.903 -4.287) 6.513 6.322 ( 0.703 -20.476 1.667) 20.556 6.856 ( -2.785 -34.389 1.055) 34.518 7.570 ( -2.121 25.593 4.656) 26.100 8.319 ( -3.532 -11.883 -3.913) 13.000 14.047 ( -0.085 30.132 -0.018) 30.132 15.785 ( -1.191 -4.587 2.965) 5.590 15.985 ( 0.768 -2.999 -2.817) 4.186 17.377 ( 5.481 11.626 0.278) 12.856 ======================= Grid point 1276 (623/860) ======================= q-point: (-0.16 -0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( -4.495 -11.376 -5.336) 13.345 4.680 ( -9.627 -2.272 0.049) 9.891 5.232 ( -4.551 -17.839 2.954) 18.646 5.982 ( 1.197 1.285 -2.527) 3.077 6.654 ( -1.251 -16.522 2.097) 16.701 7.135 ( 2.412 26.129 9.371) 27.864 7.484 ( -0.942 -34.584 -0.911) 34.609 8.466 ( -5.150 -10.972 -5.794) 13.434 13.538 ( -0.207 26.246 1.610) 26.296 15.868 ( -1.639 -3.748 2.564) 4.827 15.989 ( -0.570 1.039 -2.800) 3.041 17.186 ( 5.550 13.920 -1.614) 15.072 ======================= Grid point 1277 (624/860) ======================= q-point: (-0.11 -0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( -2.440 -16.000 -6.165) 17.319 4.462 ( -11.645 12.975 -4.177) 17.928 5.520 ( -4.418 -14.249 2.081) 15.063 5.961 ( 2.093 1.805 -1.532) 3.160 6.775 ( 2.554 16.417 15.361) 22.627 6.936 ( 1.973 -7.867 0.891) 8.159 7.992 ( -0.293 -23.195 -1.787) 23.265 8.562 ( -5.196 -7.864 -6.697) 11.562 13.175 ( -0.363 14.831 3.014) 15.139 15.891 ( -1.723 -0.129 -3.076) 3.528 15.939 ( -1.437 2.558 3.145) 4.302 16.981 ( 5.167 12.737 -3.282) 14.132 ======================= Grid point 1278 (625/860) ======================= q-point: (-0.05 -0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.529 ( 1.339 -17.517 -3.550) 17.923 4.052 ( -12.925 16.099 -10.450) 23.139 5.661 ( -2.066 -3.381 3.595) 5.350 5.919 ( 1.873 4.194 -1.293) 4.772 6.629 ( 8.374 12.538 18.235) 23.661 7.077 ( -1.575 -5.527 0.521) 5.770 8.255 ( 0.149 -7.128 -2.100) 7.432 8.594 ( -4.218 -3.712 -7.078) 9.037 13.058 ( -0.917 -0.696 3.249) 3.447 15.836 ( -1.453 3.436 -2.543) 4.514 15.922 ( -1.176 -1.364 2.475) 3.061 16.789 ( 3.898 11.665 -2.887) 12.633 ======================= Grid point 1289 (626/860) ======================= q-point: (-0.47 -0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -5.053 0.000 2.589) 5.677 2.451 ( -4.038 0.000 -0.418) 4.060 2.806 ( -4.826 0.000 13.771) 14.592 3.958 ( 2.286 -0.000 -3.563) 4.234 5.425 ( 1.655 -0.000 -10.887) 11.012 7.220 ( -5.293 0.000 5.196) 7.417 7.530 ( -0.020 0.000 4.975) 4.975 9.438 ( 2.314 -0.000 0.968) 2.508 14.166 ( -0.662 0.000 2.906) 2.981 15.574 ( 1.266 -0.000 2.811) 3.083 16.100 ( 0.004 -0.000 -4.281) 4.281 17.284 ( -1.702 0.000 -5.637) 5.888 ======================= Grid point 1290 (627/860) ======================= q-point: (-0.42 -0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -5.047 -35.464 3.290) 35.972 2.416 ( -7.077 -2.117 0.801) 7.431 2.831 ( -4.296 -0.772 11.207) 12.026 4.084 ( 1.679 -13.537 -3.099) 13.989 5.395 ( 1.870 -0.222 -8.710) 8.911 7.192 ( -10.052 0.409 6.732) 12.105 7.484 ( -3.253 2.963 -0.938) 4.499 9.396 ( 5.254 9.498 2.149) 11.065 14.233 ( -0.874 -6.681 2.387) 7.148 15.602 ( 1.678 -0.632 2.071) 2.740 16.253 ( 1.417 -18.106 -2.226) 18.297 17.155 ( -0.931 10.701 -4.516) 11.652 ======================= Grid point 1291 (628/860) ======================= q-point: (-0.37 -0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -7.905 -9.238 2.087) 12.336 2.740 ( -8.348 -16.157 6.941) 19.466 3.013 ( -1.305 -35.874 4.023) 36.123 4.405 ( 0.569 -22.224 -2.104) 22.331 5.384 ( 2.158 -0.448 -5.009) 5.473 7.049 ( -13.152 8.486 5.928) 16.737 7.452 ( -5.252 -5.866 -5.112) 9.387 9.207 ( 4.414 17.226 2.813) 18.004 14.395 ( -0.758 -10.732 1.689) 10.890 15.648 ( 2.135 -2.094 1.060) 3.173 16.680 ( 5.644 -22.533 2.706) 23.386 16.863 ( -0.838 16.550 -5.511) 17.464 ======================= Grid point 1292 (629/860) ======================= q-point: (-0.32 -0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -7.476 -18.975 -1.281) 20.434 2.816 ( -8.723 -5.530 8.288) 13.243 3.874 ( -2.298 -52.679 1.792) 52.760 4.821 ( -0.818 -24.498 -1.028) 24.533 5.408 ( 3.304 -1.748 -0.385) 3.758 6.784 ( -12.329 10.402 2.317) 16.296 7.537 ( -8.272 -12.184 -5.832) 15.839 8.908 ( 2.331 20.813 3.513) 21.235 14.591 ( -0.340 -10.254 1.060) 10.314 15.722 ( 2.554 -3.864 -0.151) 4.634 16.424 ( -0.166 25.906 -0.099) 25.907 17.180 ( 8.034 -20.474 -0.173) 21.994 ======================= Grid point 1293 (630/860) ======================= q-point: (-0.26 -0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -7.444 -5.068 -3.597) 9.697 3.125 ( -9.091 -31.498 6.105) 33.348 4.752 ( -4.147 -44.934 1.785) 45.160 5.192 ( 0.241 -17.902 0.279) 17.906 5.548 ( 3.927 -12.375 2.194) 13.167 6.540 ( -10.053 6.681 0.464) 12.079 7.670 ( -10.570 -14.104 -6.493) 18.783 8.563 ( 1.294 21.411 4.161) 21.850 14.708 ( 0.117 -0.361 0.440) 0.581 15.816 ( 2.446 -4.189 -2.148) 5.305 15.987 ( -0.570 20.610 1.786) 20.695 17.500 ( 8.724 -7.437 -0.316) 11.468 ======================= Grid point 1294 (631/860) ======================= q-point: (-0.21 -0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -8.459 -5.879 -5.229) 11.553 3.705 ( -7.872 -37.798 3.419) 38.761 5.120 ( -5.594 -3.051 6.804) 9.322 5.683 ( 3.750 -30.209 -4.896) 30.832 5.916 ( 1.190 -24.318 2.547) 24.480 6.442 ( -7.333 -6.434 1.089) 9.816 7.756 ( -10.710 -5.317 -3.104) 12.354 8.254 ( 0.437 13.187 1.447) 13.273 14.529 ( 0.285 21.148 0.726) 21.163 15.748 ( -1.190 2.956 0.725) 3.268 15.923 ( 1.902 -3.778 -1.603) 4.524 17.581 ( 7.873 4.978 -1.520) 9.438 ======================= Grid point 1295 (632/860) ======================= q-point: (-0.16 -0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -8.233 -9.123 -7.048) 14.167 4.300 ( -6.898 -32.013 2.638) 32.854 5.080 ( -6.354 2.261 4.922) 8.349 5.968 ( 2.983 -4.647 -4.295) 6.996 6.333 ( -1.398 -19.581 2.132) 19.746 6.815 ( -2.905 -36.529 0.483) 36.647 7.579 ( -3.506 17.295 7.110) 19.026 8.197 ( -5.183 -8.312 -6.804) 11.927 14.059 ( 0.163 30.146 2.448) 30.246 15.774 ( -1.670 -4.720 -0.429) 5.026 15.977 ( 0.720 -1.622 -1.424) 2.276 17.466 ( 7.002 12.627 -3.235) 14.797 ======================= Grid point 1296 (633/860) ======================= q-point: (-0.11 -0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( -6.357 -14.144 -7.814) 17.365 4.551 ( -8.018 2.527 2.739) 8.842 5.153 ( -6.570 -18.672 0.300) 19.796 5.995 ( 2.958 0.777 -2.550) 3.982 6.646 ( -2.400 -16.112 3.013) 16.566 7.259 ( 1.712 18.008 9.349) 20.362 7.462 ( -1.106 -32.960 0.044) 32.979 8.302 ( -6.539 -11.677 -8.288) 15.741 13.564 ( 0.072 26.319 4.268) 26.662 15.825 ( -1.826 -3.106 -4.831) 6.027 15.983 ( -0.846 0.945 3.170) 3.415 17.253 ( 6.452 14.678 -5.158) 16.843 ======================= Grid point 1297 (634/860) ======================= q-point: (-0.05 -0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( -2.892 -20.151 -7.427) 21.670 4.260 ( -10.146 18.251 -1.022) 20.907 5.464 ( -4.119 -17.147 1.123) 17.671 5.983 ( 2.506 1.964 -1.988) 3.753 6.870 ( -2.494 -7.395 6.740) 10.312 7.047 ( 4.595 11.035 8.500) 14.667 7.966 ( -0.608 -23.498 -2.141) 23.603 8.405 ( -5.256 -9.277 -7.681) 13.141 13.209 ( -0.195 15.543 5.173) 16.382 15.808 ( -1.531 -0.599 -7.014) 7.204 15.965 ( -1.801 2.527 6.235) 6.965 17.026 ( 5.559 13.291 -5.909) 15.571 ======================= Grid point 1309 (635/860) ======================= q-point: (-0.42 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -6.772 0.000 4.113) 7.923 2.340 ( -9.564 0.000 1.133) 9.631 2.834 ( -6.211 0.000 10.386) 12.102 3.958 ( 1.897 -0.000 -3.742) 4.195 5.373 ( 2.464 -0.000 -7.190) 7.601 7.138 ( -10.904 0.000 6.892) 12.899 7.445 ( -10.984 0.000 -4.223) 11.768 9.571 ( 10.726 -0.000 3.775) 11.371 14.175 ( -1.152 0.000 2.288) 2.561 15.622 ( 2.097 -0.000 1.534) 2.598 16.062 ( -0.337 0.000 -3.126) 3.145 17.232 ( 0.012 -0.000 -2.485) 2.485 ======================= Grid point 1310 (636/860) ======================= q-point: (-0.37 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -6.977 -36.155 4.125) 37.053 2.278 ( -11.161 -2.600 1.776) 11.596 2.831 ( -7.101 -1.501 8.385) 11.090 4.078 ( 1.363 -13.374 -3.334) 13.851 5.373 ( 2.860 -0.684 -4.026) 4.985 7.065 ( -13.969 2.377 8.656) 16.605 7.295 ( -12.895 -0.161 -9.773) 16.181 9.562 ( 10.376 13.386 3.862) 17.371 14.236 ( -1.224 -6.700 1.860) 7.061 15.647 ( 2.314 -0.485 0.462) 2.409 16.265 ( 2.472 -22.564 -2.037) 22.790 17.128 ( 0.647 11.180 -0.282) 11.202 ======================= Grid point 1311 (637/860) ======================= q-point: (-0.32 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -11.998 -10.492 0.414) 15.944 2.639 ( -10.725 -17.641 4.799) 21.196 3.018 ( -3.276 -34.875 5.124) 35.401 4.393 ( 0.505 -21.898 -2.240) 22.018 5.412 ( 3.690 -1.610 0.801) 4.105 6.856 ( -16.134 9.097 3.098) 18.779 7.234 ( -12.203 -8.780 -8.066) 17.061 9.324 ( 5.098 21.266 3.458) 22.140 14.396 ( -0.946 -10.931 1.583) 11.086 15.689 ( 2.688 -2.096 -0.619) 3.464 16.757 ( 4.071 -15.449 -8.515) 18.103 16.887 ( 5.241 6.575 8.273) 11.796 ======================= Grid point 1312 (638/860) ======================= q-point: (-0.26 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -11.365 -17.938 -5.614) 21.965 2.724 ( -11.513 -8.843 7.992) 16.572 3.852 ( -2.821 -51.659 2.555) 51.799 4.805 ( -0.107 -24.300 -0.604) 24.308 5.498 ( 4.507 -2.663 5.534) 7.618 6.576 ( -14.027 7.939 -1.354) 16.175 7.294 ( -13.039 -13.143 -6.836) 19.735 8.971 ( 0.499 22.249 3.416) 22.515 14.594 ( -0.544 -10.438 1.247) 10.526 15.757 ( 2.953 -3.494 -2.132) 5.047 16.425 ( -0.010 25.466 0.801) 25.478 17.344 ( 12.340 -19.439 -0.604) 23.033 ======================= Grid point 1313 (639/860) ======================= q-point: (-0.21 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -11.944 -7.851 -8.484) 16.621 3.035 ( -9.418 -30.667 7.114) 32.860 4.704 ( -3.846 -42.840 2.062) 43.062 5.214 ( 1.186 -21.645 1.327) 21.718 5.646 ( 2.923 -8.803 6.049) 11.074 6.367 ( -9.832 2.836 -2.459) 10.524 7.411 ( -13.033 -15.378 -5.970) 21.023 8.595 ( -1.857 21.046 2.866) 21.321 14.714 ( -0.162 -0.646 0.993) 1.196 15.824 ( 2.238 -1.615 -4.295) 5.105 16.006 ( 0.038 19.139 3.316) 19.425 17.652 ( 11.644 -5.011 -3.092) 13.048 ======================= Grid point 1314 (640/860) ======================= q-point: (-0.16 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -11.618 -7.805 -7.904) 16.074 3.615 ( -7.176 -37.927 3.921) 38.798 5.088 ( -6.132 -3.532 6.134) 9.365 5.706 ( 3.904 -28.291 -4.280) 28.878 5.950 ( -0.823 -21.664 3.193) 21.913 6.339 ( -5.414 -10.363 0.548) 11.705 7.554 ( -10.721 -12.883 -1.697) 16.846 8.236 ( -3.366 16.979 -0.344) 17.313 14.548 ( 0.191 20.501 2.361) 20.638 15.729 ( -1.265 3.398 -0.364) 3.644 15.938 ( 1.966 -2.307 -1.892) 3.574 17.694 ( 9.595 7.152 -5.122) 13.017 ======================= Grid point 1315 (641/860) ======================= q-point: (-0.11 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -9.669 -11.504 -7.416) 16.758 4.229 ( -5.378 -32.642 3.261) 33.242 4.992 ( -8.673 5.547 2.506) 10.596 5.990 ( 4.367 -4.579 -4.609) 7.828 6.318 ( -3.126 -19.744 2.811) 20.187 6.778 ( -2.028 -37.170 0.603) 37.231 7.593 ( -3.818 7.075 9.114) 12.153 8.022 ( -7.043 -3.703 -9.460) 12.362 14.098 ( 0.303 29.750 4.974) 30.165 15.726 ( -1.821 -3.285 -3.243) 4.963 15.981 ( 0.639 -1.669 -0.281) 1.809 17.541 ( 7.927 13.997 -7.055) 17.565 ======================= Grid point 1316 (642/860) ======================= q-point: (-0.05 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -6.080 -17.226 -6.221) 19.298 4.456 ( -7.683 8.176 3.760) 11.833 5.036 ( -6.458 -22.611 -1.743) 23.579 6.020 ( 3.156 0.957 -3.350) 4.701 6.635 ( -2.697 -16.556 3.717) 17.181 7.349 ( 0.247 2.712 5.581) 6.210 7.449 ( -1.674 -21.419 1.440) 21.532 8.115 ( -6.203 -13.834 -7.933) 17.111 13.619 ( 0.247 26.491 6.918) 27.380 15.738 ( -1.728 -2.055 -6.874) 7.380 16.004 ( -1.011 0.086 4.082) 4.206 17.297 ( 6.788 15.431 -8.750) 18.993 ======================= Grid point 1329 (643/860) ======================= q-point: (-0.37 -0.37 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -8.467 0.000 6.218) 10.505 2.165 ( -13.423 0.000 1.703) 13.531 2.791 ( -9.816 0.000 8.640) 13.077 3.951 ( 1.584 -0.000 -3.991) 4.294 5.375 ( 3.217 -0.000 -2.114) 3.849 7.011 ( -13.347 0.000 9.298) 16.267 7.116 ( -18.763 0.000 -12.399) 22.489 9.820 ( 14.394 -0.000 3.118) 14.727 14.170 ( -1.556 0.000 1.414) 2.103 15.667 ( 2.772 -0.000 -0.523) 2.821 16.032 ( -0.628 0.000 -1.603) 1.721 17.242 ( 1.449 -0.000 2.342) 2.754 ======================= Grid point 1330 (644/860) ======================= q-point: (-0.32 -0.37 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -9.709 -31.136 4.300) 32.897 2.092 ( -13.439 -7.422 2.517) 15.557 2.761 ( -10.626 -2.857 8.288) 13.776 4.067 ( 1.232 -13.371 -3.554) 13.890 5.417 ( 3.849 -1.815 1.621) 4.554 6.842 ( -21.668 4.890 -4.925) 22.752 6.981 ( -12.087 -3.878 -0.625) 12.709 9.763 ( 9.967 18.751 1.495) 21.288 14.229 ( -1.451 -7.129 1.331) 7.396 15.685 ( 2.879 -0.457 -1.261) 3.176 16.293 ( 3.717 -26.972 -3.117) 27.405 17.177 ( 2.346 10.666 5.868) 12.398 ======================= Grid point 1331 (645/860) ======================= q-point: (-0.26 -0.37 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -14.673 -10.924 -1.710) 18.372 2.485 ( -13.444 -15.927 5.204) 21.482 3.006 ( -4.860 -37.243 6.830) 38.175 4.383 ( 0.849 -22.015 -2.251) 22.146 5.519 ( 4.953 -3.196 6.833) 9.025 6.542 ( -20.339 5.126 -8.407) 22.598 6.976 ( -12.453 -7.118 -0.576) 14.355 9.405 ( 1.308 25.174 1.183) 25.235 14.394 ( -1.071 -11.294 1.653) 11.465 15.724 ( 3.220 -1.908 -2.353) 4.421 16.728 ( 2.981 -2.602 -7.965) 8.894 17.114 ( 11.132 -8.515 9.545) 16.957 ======================= Grid point 1332 (646/860) ======================= q-point: (-0.21 -0.37 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -13.999 -15.562 -7.742) 22.318 2.601 ( -13.075 -13.479 9.217) 20.918 3.831 ( -3.055 -50.630 3.287) 50.829 4.806 ( 0.824 -25.012 -0.477) 25.030 5.648 ( 3.628 -1.462 11.084) 11.754 6.288 ( -14.910 1.239 -9.559) 17.754 7.028 ( -13.109 -11.612 -2.333) 17.667 8.968 ( -3.966 22.966 1.434) 23.350 14.596 ( -0.802 -10.578 1.554) 10.721 15.778 ( 3.223 -2.727 -4.234) 5.979 16.441 ( 0.351 24.066 2.229) 24.171 17.563 ( 15.943 -15.904 -2.543) 22.662 ======================= Grid point 1333 (647/860) ======================= q-point: (-0.16 -0.37 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -14.129 -9.862 -8.411) 19.174 2.950 ( -9.207 -31.009 7.397) 33.182 4.665 ( -3.043 -41.634 1.649) 41.778 5.245 ( 1.196 -23.134 0.662) 23.175 5.714 ( -4.886 -4.113 7.175) 9.606 6.205 ( -3.329 -3.928 -4.875) 7.091 7.161 ( -12.248 -16.600 -2.211) 20.748 8.547 ( -6.145 20.745 0.613) 21.645 14.720 ( -0.569 -1.288 1.524) 2.075 15.811 ( 1.895 0.652 -5.588) 5.936 16.049 ( 0.810 18.451 4.419) 18.990 17.814 ( 13.556 -1.363 -6.798) 15.227 ======================= Grid point 1334 (648/860) ======================= q-point: (-0.11 -0.37 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -12.346 -10.180 -6.155) 17.145 3.542 ( -6.333 -38.398 3.899) 39.112 5.023 ( -7.275 -1.083 2.781) 7.863 5.712 ( 1.359 -28.791 -4.789) 29.219 5.929 ( -4.800 -21.520 2.390) 22.177 6.309 ( 0.875 -11.703 1.906) 11.889 7.390 ( -8.545 -18.821 0.839) 20.687 8.137 ( -7.234 18.909 -2.057) 20.350 14.578 ( -0.071 18.789 3.870) 19.184 15.702 ( -1.152 4.772 -1.100) 5.031 15.953 ( 2.046 -0.771 -1.986) 2.953 17.792 ( 10.368 9.747 -9.082) 16.882 ======================= Grid point 1335 (649/860) ======================= q-point: (-0.05 -0.37 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -8.651 -14.392 -3.741) 17.204 4.177 ( -4.561 -34.070 2.777) 34.486 4.848 ( -10.028 8.254 -0.243) 12.990 6.009 ( 3.727 -5.252 -6.112) 8.878 6.290 ( -3.812 -21.315 3.420) 21.921 6.765 ( -0.650 -35.358 1.394) 35.391 7.633 ( -2.382 -0.734 10.581) 10.871 7.790 ( -9.224 -0.587 -11.744) 14.945 14.161 ( 0.295 28.871 7.478) 29.826 15.660 ( -1.721 -1.277 -4.583) 5.060 15.990 ( 0.633 -2.165 -0.241) 2.268 17.589 ( 8.058 15.495 -10.798) 20.533 ======================= Grid point 1349 (650/860) ======================= q-point: (-0.32 -0.32 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -9.949 0.000 8.823) 13.297 1.936 ( -16.338 0.000 1.685) 16.425 2.684 ( -13.534 0.000 10.129) 16.904 3.936 ( 1.370 -0.000 -4.303) 4.516 5.438 ( 3.640 -0.000 3.137) 4.805 6.620 ( -24.797 0.000 -15.185) 29.077 6.903 ( -10.704 0.000 9.592) 14.373 10.057 ( 13.122 -0.000 -2.571) 13.371 14.151 ( -1.832 0.000 0.408) 1.877 15.702 ( 3.256 -0.000 -2.614) 4.175 16.013 ( -0.839 0.000 0.094) 0.844 17.326 ( 2.911 -0.000 8.296) 8.791 ======================= Grid point 1350 (651/860) ======================= q-point: (-0.26 -0.32 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -15.548 -9.401 2.138) 18.295 1.926 ( -11.451 -26.894 6.200) 29.881 2.654 ( -13.284 -5.558 11.458) 18.402 4.053 ( 1.292 -13.733 -3.825) 14.315 5.522 ( 4.076 -3.889 6.150) 8.341 6.333 ( -25.711 0.779 -15.542) 30.054 6.862 ( -8.979 0.352 8.767) 12.554 9.880 ( 5.153 24.717 -4.453) 25.638 14.215 ( -1.456 -8.068 0.882) 8.246 15.718 ( 3.456 -0.574 -2.815) 4.495 16.326 ( 4.781 -29.965 -4.631) 30.696 17.319 ( 4.794 8.207 12.083) 15.373 ======================= Grid point 1351 (652/860) ======================= q-point: (-0.21 -0.32 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -15.964 -10.304 -1.875) 19.093 2.310 ( -15.240 -14.980 8.151) 22.872 2.991 ( -5.728 -39.538 8.538) 40.853 4.379 ( 1.390 -22.645 -2.447) 22.819 5.695 ( 5.522 -5.176 12.075) 14.251 6.047 ( -24.359 -1.559 -17.462) 30.012 6.830 ( -8.693 -1.404 5.631) 10.452 9.371 ( -4.936 27.500 -2.538) 28.054 14.393 ( -1.078 -11.677 1.822) 11.868 15.749 ( 3.624 -1.405 -4.234) 5.748 16.716 ( 3.426 -1.039 -5.749) 6.773 17.413 ( 15.299 -10.830 7.499) 20.189 ======================= Grid point 1352 (653/860) ======================= q-point: (-0.16 -0.32 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -14.859 -13.690 -5.489) 20.937 2.477 ( -13.314 -17.445 10.802) 24.460 3.815 ( -2.904 -49.782 3.721) 50.005 4.820 ( 1.573 -25.821 -0.926) 25.886 5.700 ( -15.539 4.750 2.349) 16.418 6.025 ( 1.666 -12.612 -4.734) 13.574 6.842 ( -10.081 -7.194 3.077) 12.761 8.863 ( -8.909 22.428 -1.173) 24.161 14.597 ( -1.027 -10.543 1.889) 10.760 15.782 ( 3.243 -1.643 -6.287) 7.262 16.481 ( 0.885 22.354 4.184) 22.759 17.803 ( 17.993 -10.609 -6.409) 21.848 ======================= Grid point 1353 (654/860) ======================= q-point: (-0.11 -0.32 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -13.866 -11.269 -4.057) 18.323 2.874 ( -8.583 -31.943 7.597) 33.938 4.633 ( -2.252 -39.844 0.543) 39.911 5.252 ( -0.703 -19.975 -1.809) 20.069 5.560 ( -14.936 -9.908 -1.114) 17.958 6.231 ( 7.020 -5.596 1.480) 9.099 6.984 ( -9.722 -17.041 2.982) 19.844 8.409 ( -9.785 20.023 -1.768) 22.356 14.724 ( -0.980 -2.079 1.969) 3.027 15.784 ( 1.644 1.537 -6.291) 6.682 16.113 ( 1.392 19.363 5.427) 20.158 17.957 ( 13.917 2.799 -11.194) 18.078 ======================= Grid point 1354 (655/860) ======================= q-point: (-0.05 -0.32 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -10.449 -12.803 -0.584) 16.536 3.480 ( -5.561 -38.674 3.549) 39.233 4.895 ( -9.127 2.650 -1.553) 9.630 5.651 ( -2.238 -32.352 -5.856) 32.954 5.871 ( -3.584 -24.467 1.070) 24.751 6.381 ( 3.783 -8.729 3.469) 10.126 7.292 ( -5.828 -22.025 2.925) 22.970 7.973 ( -9.421 18.985 -2.772) 21.374 14.616 ( -0.469 16.018 5.125) 16.825 15.673 ( -0.903 6.481 -1.366) 6.684 15.968 ( 2.115 1.290 -1.945) 3.150 17.857 ( 9.980 12.237 -12.945) 20.419 ======================= Grid point 1369 (656/860) ======================= q-point: (-0.26 -0.26 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -10.981 0.000 11.745) 16.079 1.673 ( -17.834 0.000 2.604) 18.023 2.553 ( -16.334 0.000 14.747) 22.006 3.916 ( 1.275 -0.000 -4.663) 4.834 5.519 ( 0.049 -0.000 1.769) 1.770 6.065 ( -24.345 0.000 -11.326) 26.851 6.862 ( -5.806 0.000 11.437) 12.827 10.166 ( 7.991 -0.000 -12.573) 14.898 14.119 ( -1.952 0.000 -0.572) 2.034 15.728 ( 3.719 -0.000 -3.566) 5.153 16.007 ( -0.946 0.000 1.724) 1.967 17.494 ( 4.907 -0.000 13.949) 14.787 ======================= Grid point 1370 (657/860) ======================= q-point: (-0.21 -0.26 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -17.169 -3.576 3.463) 17.876 1.812 ( -11.745 -28.752 9.538) 32.490 2.553 ( -14.459 -9.410 16.117) 23.608 4.038 ( 1.504 -14.496 -4.226) 15.174 5.540 ( -11.785 -9.399 -13.715) 20.380 5.862 ( -12.409 2.689 6.467) 14.249 6.847 ( -3.444 3.420 10.187) 11.285 9.826 ( -2.818 29.446 -12.044) 31.939 14.199 ( -1.211 -9.510 0.399) 9.596 15.746 ( 3.926 -0.337 -4.169) 5.736 16.364 ( 5.523 -31.399 -5.149) 32.294 17.556 ( 8.291 4.607 15.347) 18.042 ======================= Grid point 1371 (658/860) ======================= q-point: (-0.16 -0.26 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -15.606 -9.223 1.659) 18.203 2.151 ( -15.721 -14.968 12.530) 25.064 2.981 ( -5.818 -41.010 9.613) 42.522 4.381 ( 1.875 -23.569 -2.917) 23.823 5.448 ( -24.970 -7.820 -22.931) 34.792 5.918 ( 4.106 -5.318 18.069) 19.278 6.786 ( -3.945 3.880 6.775) 8.747 9.195 ( -11.468 26.811 -6.061) 29.784 14.393 ( -0.984 -12.010 1.857) 12.192 15.761 ( 3.718 -0.541 -6.126) 7.187 16.734 ( 3.872 -1.403 -3.185) 5.206 17.737 ( 17.967 -8.876 2.456) 20.190 ======================= Grid point 1372 (659/860) ======================= q-point: (-0.11 -0.26 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -13.796 -12.445 0.726) 18.594 2.375 ( -12.327 -20.230 12.816) 26.934 3.806 ( -2.356 -49.013 3.508) 49.195 4.837 ( 1.984 -26.239 -1.755) 26.372 5.265 ( -22.858 -5.267 -15.523) 28.128 6.190 ( 7.942 -9.432 11.410) 16.800 6.746 ( -6.939 -2.741 5.606) 9.332 8.663 ( -12.473 20.497 -3.615) 24.265 14.598 ( -1.173 -10.329 2.107) 10.607 15.766 ( 2.993 -0.543 -7.877) 8.444 16.548 ( 1.364 20.773 6.253) 21.737 18.013 ( 17.599 -4.617 -11.838) 21.707 ======================= Grid point 1373 (660/860) ======================= q-point: (-0.05 -0.26 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -10.942 -12.686 3.543) 17.124 2.816 ( -7.424 -32.363 8.147) 34.189 4.594 ( -2.161 -34.889 -2.056) 35.016 5.101 ( -12.326 -12.784 -9.142) 19.973 5.375 ( -4.057 -27.726 -0.535) 28.027 6.387 ( 7.512 -0.816 3.848) 8.479 6.899 ( -6.982 -17.833 8.003) 20.756 8.207 ( -11.263 18.571 -3.780) 22.046 14.725 ( -1.305 -2.853 2.275) 3.876 15.748 ( 1.447 1.372 -6.672) 6.963 16.195 ( 1.636 21.296 6.597) 22.354 18.050 ( 12.476 6.442 -15.657) 21.031 ======================= Grid point 1389 (661/860) ======================= q-point: (-0.21 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -17.728 0.000 5.773) 18.645 1.448 ( -11.318 0.000 14.642) 18.506 2.439 ( -17.596 0.000 20.918) 27.335 3.891 ( 1.310 -0.000 -5.048) 5.215 5.208 ( -22.915 0.000 -24.040) 33.212 5.886 ( -3.599 0.000 17.653) 18.016 6.938 ( 1.940 -0.000 11.927) 12.084 10.055 ( -1.102 0.000 -24.398) 24.423 14.078 ( -1.899 0.000 -1.371) 2.342 15.763 ( 4.456 -0.000 -2.978) 5.360 16.014 ( -0.932 0.000 3.067) 3.205 17.744 ( 7.757 -0.000 16.899) 18.595 ======================= Grid point 1390 (662/860) ======================= q-point: (-0.16 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -16.398 -2.831 7.819) 18.386 1.722 ( -12.163 -25.586 13.526) 31.393 2.489 ( -13.987 -12.936 20.263) 27.813 4.023 ( 1.741 -15.486 -4.764) 16.295 4.965 ( -25.021 -8.115 -26.738) 37.508 5.972 ( -0.413 -1.706 21.948) 22.019 6.942 ( 3.622 8.230 9.484) 13.069 9.559 ( -12.379 29.834 -18.012) 36.983 14.182 ( -0.860 -11.270 -0.386) 11.310 15.767 ( 3.964 0.817 -5.089) 6.502 16.411 ( 5.821 -31.802 -4.614) 32.658 17.859 ( 11.661 2.333 13.138) 17.721 ======================= Grid point 1391 (663/860) ======================= q-point: (-0.11 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -13.773 -8.494 8.132) 18.110 2.041 ( -14.515 -15.230 17.424) 27.317 2.981 ( -5.175 -41.527 9.752) 42.970 4.382 ( 1.677 -24.560 -3.475) 24.861 4.824 ( -23.049 -11.333 -25.502) 36.195 6.158 ( 2.108 -7.052 21.836) 23.043 6.821 ( 0.946 10.031 5.584) 11.520 8.900 ( -15.847 22.570 -8.109) 28.745 14.394 ( -0.887 -12.390 1.508) 12.513 15.756 ( 3.418 0.583 -7.538) 8.297 16.780 ( 3.993 -2.706 -0.843) 4.897 18.019 ( 17.221 -3.933 -4.967) 18.350 ======================= Grid point 1392 (664/860) ======================= q-point: (-0.05 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -10.114 -12.198 9.371) 18.409 2.320 ( -10.234 -21.462 15.148) 28.192 3.802 ( -1.506 -48.039 2.290) 48.117 4.738 ( -19.742 -11.103 -20.501) 30.550 4.851 ( 1.156 -27.632 -1.823) 27.716 6.434 ( 6.353 -7.910 15.098) 18.190 6.710 ( -4.368 1.355 6.102) 7.626 8.406 ( -13.098 17.586 -5.539) 22.616 14.598 ( -1.267 -10.067 2.071) 10.355 15.734 ( 2.542 0.282 -8.695) 9.063 16.640 ( 1.517 19.492 8.137) 21.177 18.140 ( 14.350 0.514 -17.497) 22.635 ======================= Grid point 1409 (665/860) ======================= q-point: (-0.16 -0.16 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -16.928 0.000 10.499) 19.919 1.415 ( -10.793 0.000 17.013) 20.148 2.379 ( -16.692 0.000 26.814) 31.585 3.865 ( 1.480 -0.000 -5.418) 5.616 4.554 ( -24.944 0.000 -28.158) 37.618 6.054 ( -1.527 0.000 23.885) 23.934 7.143 ( 10.415 -0.000 9.448) 14.062 9.671 ( -13.381 0.000 -31.643) 34.356 14.033 ( -1.675 0.000 -1.890) 2.526 15.820 ( 5.156 -0.000 -2.046) 5.548 16.033 ( -0.792 0.000 3.964) 4.043 18.042 ( 10.040 -0.000 14.258) 17.438 ======================= Grid point 1410 (666/860) ======================= q-point: (-0.11 -0.16 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -14.874 -3.951 13.033) 20.167 1.676 ( -11.078 -23.174 17.576) 31.124 2.478 ( -12.037 -14.327 22.912) 29.582 4.003 ( 1.171 -16.005 -5.465) 16.953 4.313 ( -22.016 -9.692 -28.535) 37.321 6.182 ( -1.081 -3.131 24.820) 25.040 7.128 ( 9.512 14.781 6.140) 18.619 9.114 ( -19.768 23.531 -18.549) 35.896 14.162 ( -0.649 -13.028 -1.475) 13.127 15.779 ( 3.395 2.884 -5.251) 6.886 16.464 ( 5.236 -31.566 -3.770) 32.219 18.146 ( 11.457 3.215 5.929) 13.295 ======================= Grid point 1411 (667/860) ======================= q-point: (-0.05 -0.16 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -9.765 -9.700 15.183) 20.493 2.010 ( -11.561 -15.170 21.799) 28.965 2.993 ( -3.995 -40.901 8.714) 42.009 4.204 ( -19.226 -16.375 -23.393) 34.424 4.400 ( 1.730 -23.554 -7.852) 24.888 6.387 ( -0.110 -7.963 23.610) 24.917 6.911 ( 4.273 16.232 3.619) 17.171 8.557 ( -15.613 16.216 -8.436) 24.039 14.390 ( -0.896 -12.999 0.740) 13.051 15.733 ( 2.764 1.799 -8.066) 8.714 16.843 ( 3.550 -5.017 0.837) 6.203 18.184 ( 12.029 1.932 -11.586) 16.813 ======================= Grid point 1429 (668/860) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -15.467 0.000 15.205) 21.689 1.415 ( -9.431 0.000 18.345) 20.628 2.399 ( -13.658 0.000 30.448) 33.371 3.840 ( 1.779 -0.000 -5.725) 5.995 3.905 ( -20.865 0.000 -29.561) 36.183 6.260 ( -1.540 0.000 25.366) 25.412 7.422 ( 15.802 -0.000 2.171) 15.950 9.081 ( -22.600 0.000 -27.184) 35.352 13.990 ( -1.304 0.000 -2.090) 2.464 15.883 ( 4.577 -0.000 -1.971) 4.983 16.061 ( -0.535 0.000 4.344) 4.377 18.298 ( 7.995 -0.000 7.158) 10.731 ======================= Grid point 1430 (669/860) ======================= q-point: (-0.05 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -10.767 -7.238 17.816) 22.039 1.691 ( -8.537 -23.221 19.782) 31.676 2.522 ( -9.176 -12.685 23.507) 28.244 3.693 ( -17.463 -9.781 -27.937) 34.367 4.000 ( 2.089 -17.674 -7.264) 19.223 6.396 ( -0.900 -3.410 24.647) 24.898 7.332 ( 10.510 20.967 0.331) 23.456 8.630 ( -19.143 12.899 -13.379) 26.681 14.133 ( -0.634 -14.347 -2.369) 14.555 15.780 ( 2.332 5.307 -4.764) 7.503 16.506 ( 3.554 -31.095 -2.838) 31.426 18.317 ( 6.012 6.209 -0.330) 8.649 ======================= Grid point 1449 (670/860) ======================= q-point: (-0.05 -0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -8.706 0.000 19.257) 21.134 1.448 ( -7.502 0.000 18.342) 19.817 2.494 ( -9.651 0.000 29.963) 31.479 3.341 ( -14.136 0.000 -29.093) 32.345 3.817 ( 2.185 -0.000 -5.915) 6.306 6.476 ( -0.132 0.000 23.857) 23.858 7.646 ( 13.077 -0.000 -8.288) 15.482 8.525 ( -18.822 0.000 -14.174) 23.563 13.953 ( -0.825 0.000 -1.987) 2.152 15.921 ( 2.228 -0.000 -2.178) 3.116 16.095 ( -0.184 0.000 4.207) 4.211 18.423 ( 1.947 -0.000 2.700) 3.329 ======================= Grid point 1450 (671/860) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 4.496 -0.000 21.768) 22.227 1.759 ( -2.123 0.000 6.541) 6.877 2.243 ( -3.960 0.000 -24.857) 25.171 3.146 ( -3.200 0.000 11.070) 11.524 3.705 ( 1.217 -0.000 -2.771) 3.026 6.981 ( 0.446 -0.000 6.783) 6.797 7.496 ( 1.236 -0.000 -2.990) 3.235 8.120 ( -0.880 0.000 -5.039) 5.115 13.903 ( -0.111 0.000 -0.605) 0.615 15.887 ( -0.315 0.000 -0.685) 0.754 16.185 ( 0.083 -0.000 1.387) 1.389 18.479 ( -0.859 0.000 1.134) 1.423 ======================= Grid point 1451 (672/860) ======================= q-point: ( 0.05 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 9.834 -15.159 23.950) 30.002 2.097 ( -1.054 -32.870 5.327) 33.316 2.180 ( -1.031 -9.256 -25.680) 27.317 3.072 ( -0.143 9.338 5.832) 11.010 3.887 ( 0.934 -18.779 -1.368) 18.852 7.023 ( 0.806 -0.811 2.884) 3.103 7.384 ( -1.265 9.406 -0.664) 9.514 8.063 ( 3.942 6.010 -2.350) 7.562 14.039 ( -0.059 -14.122 -0.446) 14.129 15.698 ( -0.685 11.261 -0.656) 11.301 16.522 ( -0.565 -26.703 0.100) 26.710 18.334 ( -1.808 15.395 0.848) 15.524 ======================= Grid point 1452 (673/860) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -0.399 -5.989 -7.585) 9.673 2.551 ( 7.516 -25.537 4.230) 26.954 2.828 ( 0.061 -39.317 12.441) 41.238 2.979 ( 7.296 -3.281 -4.785) 9.322 4.308 ( 0.531 -27.400 -0.313) 27.407 6.973 ( -1.316 9.133 0.796) 9.262 7.273 ( -0.256 -1.830 -2.853) 3.399 7.950 ( 7.718 11.973 1.560) 14.330 14.325 ( -0.567 -16.641 0.554) 16.660 15.539 ( -0.646 5.763 -0.672) 5.838 16.976 ( -1.763 -23.953 -0.439) 24.022 17.932 ( -2.433 27.734 0.546) 27.846 ======================= Grid point 1453 (674/860) ======================= q-point: ( 0.16 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -1.467 -8.381 -12.817) 15.384 2.816 ( -1.568 -8.600 0.142) 8.743 3.352 ( 18.630 -22.523 13.710) 32.285 3.698 ( 1.012 -47.831 -0.106) 47.842 4.825 ( 0.626 -29.735 0.441) 29.745 6.766 ( -2.597 10.313 -0.081) 10.635 7.366 ( 0.750 -9.478 -9.500) 13.440 7.789 ( 10.438 16.317 7.147) 20.646 14.581 ( -0.943 -12.055 1.457) 12.180 15.475 ( -0.557 0.735 0.107) 0.929 17.261 ( -2.493 -0.483 -13.929) 14.159 17.378 ( -3.230 22.578 14.222) 26.878 ======================= Grid point 1454 (675/860) ======================= q-point: ( 0.21 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -2.649 -9.834 -13.917) 17.246 3.050 ( 0.413 -19.236 -0.330) 19.243 3.940 ( 16.645 -18.974 12.772) 28.287 4.529 ( 1.487 -43.952 1.311) 43.997 5.356 ( 1.928 -28.536 0.963) 28.617 6.603 ( -2.669 4.806 -0.880) 5.567 7.423 ( 5.697 5.188 -10.776) 13.247 7.700 ( 7.024 1.328 8.074) 10.784 14.752 ( -0.781 -7.561 1.453) 7.739 15.505 ( -0.392 -4.150 1.098) 4.311 16.635 ( -3.038 38.290 -4.773) 38.706 17.420 ( -3.506 -0.469 5.736) 6.739 ======================= Grid point 1455 (676/860) ======================= q-point: ( 0.26 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -3.426 -12.147 -12.782) 17.963 3.490 ( 1.393 -28.962 1.102) 29.016 4.378 ( 13.788 -10.137 8.831) 19.258 5.249 ( 1.778 -33.293 3.051) 33.480 5.863 ( 4.579 -24.888 1.128) 25.331 6.573 ( -2.685 -5.839 -0.907) 6.491 7.239 ( 10.137 17.013 1.397) 19.853 7.874 ( 2.254 -12.287 -3.153) 12.884 14.849 ( -0.691 -3.001 -0.779) 3.177 15.619 ( 0.169 -7.498 0.461) 7.514 15.922 ( -3.122 35.593 -0.318) 35.731 17.335 ( -3.377 9.392 5.273) 11.288 ======================= Grid point 1456 (677/860) ======================= q-point: ( 0.32 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -4.081 -15.245 -10.609) 19.016 4.079 ( 1.893 -34.116 3.333) 34.331 4.585 ( 10.876 1.516 2.182) 11.196 5.701 ( 1.206 -13.906 4.025) 14.526 6.288 ( 7.433 -16.047 2.945) 17.928 6.823 ( -1.598 -23.792 0.813) 23.860 7.067 ( 9.106 11.151 5.705) 15.485 8.095 ( 0.409 -13.521 -6.922) 15.195 14.711 ( -2.458 19.866 -8.044) 21.573 15.419 ( 0.015 11.243 2.281) 11.472 15.826 ( -0.177 -10.461 5.006) 11.598 17.103 ( -2.996 16.054 5.807) 17.333 ======================= Grid point 1457 (678/860) ======================= q-point: ( 0.37 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -4.925 -18.669 -8.122) 20.946 4.521 ( 8.399 13.538 -3.950) 16.414 4.722 ( 2.232 -33.341 5.162) 33.812 5.848 ( 0.265 -2.561 2.714) 3.741 6.597 ( 10.673 -7.240 10.330) 16.524 6.982 ( 3.667 2.113 5.680) 7.083 7.381 ( 0.618 -30.958 -0.259) 30.966 8.279 ( -1.053 -11.204 -8.095) 13.862 14.143 ( -2.931 31.663 -8.094) 32.812 15.426 ( 0.872 -5.237 2.475) 5.857 16.036 ( 1.001 -9.663 2.549) 10.043 16.807 ( -2.866 16.930 7.594) 18.775 ======================= Grid point 1458 (679/860) ======================= q-point: ( 0.42 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( -5.968 -21.758 -5.555) 23.235 4.238 ( 6.810 21.940 -5.657) 23.659 5.301 ( 2.090 -26.239 4.799) 26.756 5.871 ( -0.267 0.440 1.801) 1.873 6.815 ( 11.946 -0.494 15.543) 19.610 7.038 ( -0.832 -4.621 0.401) 4.713 7.886 ( 0.364 -24.078 -0.422) 24.085 8.391 ( -1.920 -6.962 -7.542) 10.443 13.576 ( -2.129 25.147 -5.144) 25.756 15.559 ( 0.627 -7.486 0.260) 7.517 16.139 ( 1.755 1.848 -1.634) 3.028 16.607 ( -2.511 5.095 9.663) 11.209 ======================= Grid point 1459 (680/860) ======================= q-point: ( 0.47 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.413 ( -7.050 -23.309 -3.205) 24.562 3.843 ( 5.551 24.698 -3.832) 25.602 5.685 ( 1.139 -12.286 2.873) 12.669 5.858 ( -0.192 0.955 0.575) 1.131 6.967 ( 7.084 -0.985 11.274) 13.351 7.096 ( -1.372 -2.215 -0.432) 2.641 8.187 ( -0.182 -9.325 -0.979) 9.378 8.423 ( -1.660 -1.767 -5.139) 5.682 13.216 ( -1.090 11.444 -1.059) 11.544 15.681 ( 0.032 -5.430 -1.301) 5.584 16.030 ( 0.242 6.753 -0.081) 6.758 16.649 ( 0.035 -4.236 3.724) 5.641 ======================= Grid point 1460 (681/860) ======================= q-point: (-0.47 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( 3.102 23.435 -2.456) 23.766 3.797 ( -6.753 -22.753 1.161) 23.763 5.700 ( -2.462 9.322 1.124) 9.707 5.896 ( 2.148 -2.949 -2.613) 4.487 7.070 ( -0.182 -0.912 3.149) 3.283 7.078 ( -0.738 0.634 0.027) 0.973 8.188 ( -0.351 8.219 -1.293) 8.328 8.379 ( -0.660 4.047 -1.233) 4.282 13.164 ( -0.085 -5.513 3.753) 6.670 15.694 ( -0.631 2.677 -2.644) 3.815 16.006 ( -1.014 -3.773 2.367) 4.568 16.737 ( 2.331 -4.680 -4.436) 6.857 ======================= Grid point 1461 (682/860) ======================= q-point: (-0.42 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 2.287 22.571 1.364) 22.728 4.151 ( -8.031 -22.047 3.024) 23.658 5.381 ( -3.250 23.355 -2.674) 23.731 5.928 ( 1.727 -1.013 -3.583) 4.104 6.943 ( -1.962 10.540 1.512) 10.827 7.142 ( -5.805 -7.705 -6.813) 11.810 7.892 ( -0.202 23.705 -1.117) 23.732 8.265 ( 0.495 9.169 3.663) 9.886 13.430 ( 0.755 -20.191 8.313) 21.849 15.603 ( -0.962 4.085 -4.170) 5.916 16.086 ( -1.820 -2.730 3.570) 4.848 16.836 ( 4.210 -8.905 -11.525) 15.161 ======================= Grid point 1462 (683/860) ======================= q-point: (-0.37 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 1.060 19.673 4.962) 20.317 4.440 ( -8.421 -14.700 3.847) 17.373 4.835 ( -4.158 30.857 -5.125) 31.555 5.927 ( 1.318 0.917 -4.772) 5.035 6.683 ( -3.658 16.731 0.728) 17.141 7.192 ( -9.451 -9.667 -12.521) 18.427 7.380 ( -0.271 31.537 -0.192) 31.539 8.104 ( 1.159 12.742 8.203) 15.198 13.926 ( 1.245 -28.205 11.787) 30.594 15.511 ( -1.057 2.327 -5.661) 6.211 16.065 ( -0.898 4.727 0.305) 4.821 17.035 ( 4.824 -15.631 -13.462) 21.185 ======================= Grid point 1463 (684/860) ======================= q-point: (-0.32 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 0.211 16.674 8.674) 18.796 4.132 ( -3.225 35.948 -1.408) 36.120 4.628 ( -10.722 -7.863 -2.109) 13.463 5.823 ( 0.514 11.202 -7.572) 13.531 6.309 ( -4.892 21.663 1.005) 22.231 6.816 ( 1.118 27.688 1.217) 27.738 7.248 ( -11.067 -10.329 -11.327) 18.907 7.927 ( 0.125 11.712 9.331) 14.975 14.481 ( 0.881 -24.064 12.447) 27.106 15.489 ( -0.768 -5.252 -4.435) 6.917 15.941 ( 0.920 6.681 -4.593) 8.159 17.307 ( 5.174 -16.497 -13.239) 21.776 ======================= Grid point 1464 (685/860) ======================= q-point: (-0.26 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 0.041 14.193 12.627) 18.997 3.483 ( -3.508 33.007 1.741) 33.239 4.559 ( -12.137 3.257 -8.243) 15.029 5.380 ( -1.039 33.448 -8.697) 34.576 5.859 ( -4.424 25.684 1.428) 26.101 6.535 ( 2.818 6.863 2.606) 7.864 7.255 ( -8.242 -1.538 0.013) 8.384 7.820 ( -4.151 0.385 1.830) 4.552 14.780 ( -0.389 -4.180 5.337) 6.790 15.627 ( -0.353 -3.329 -0.659) 3.412 15.945 ( 2.886 -16.596 -1.991) 16.962 17.546 ( 5.889 -12.045 -14.308) 19.608 ======================= Grid point 1465 (686/860) ======================= q-point: (-0.21 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.400 12.419 16.663) 20.786 2.964 ( -3.955 23.740 7.379) 25.173 4.230 ( -13.134 16.173 -14.385) 25.318 4.645 ( -2.377 41.386 -8.524) 42.322 5.353 ( -2.371 28.670 1.008) 28.786 6.567 ( 3.154 -4.700 2.350) 6.129 7.170 ( -3.646 8.169 13.116) 15.876 7.864 ( -8.856 -11.764 -7.269) 16.421 14.758 ( -0.544 5.701 0.793) 5.782 15.577 ( 1.029 3.033 -5.464) 6.334 16.469 ( 2.086 -30.540 9.425) 32.029 17.678 ( 6.438 -5.495 -17.258) 19.222 ======================= Grid point 1466 (687/860) ======================= q-point: (-0.16 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 0.496 11.665 20.124) 23.266 2.668 ( -4.388 11.673 14.084) 18.811 3.649 ( -8.360 31.824 -13.156) 35.437 3.862 ( -8.274 34.319 -14.483) 38.158 4.827 ( -0.577 29.519 -0.059) 29.524 6.746 ( 2.793 -11.217 1.726) 11.687 7.066 ( -0.640 8.844 17.525) 19.640 7.982 ( -10.147 -13.936 -9.543) 19.704 14.605 ( -0.276 11.235 -0.588) 11.254 15.536 ( 1.381 -0.587 -5.607) 5.804 16.977 ( 1.764 -13.670 12.582) 18.662 17.729 ( 5.528 -8.214 -18.881) 21.319 ======================= Grid point 1467 (688/860) ======================= q-point: (-0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -0.173 12.653 22.837) 26.108 2.540 ( -4.759 14.740 19.576) 24.963 2.937 ( -2.301 30.345 -14.210) 33.586 3.219 ( -12.685 17.591 -16.868) 27.475 4.313 ( 0.126 27.377 -1.121) 27.400 6.947 ( -1.636 -2.400 7.107) 7.678 7.086 ( 5.306 -7.456 9.421) 13.134 8.082 ( -9.138 -10.853 -8.999) 16.801 14.352 ( -0.206 16.254 -1.778) 16.353 15.573 ( 1.244 -5.124 -3.997) 6.616 16.948 ( 2.306 19.555 2.030) 19.795 18.000 ( 2.283 -22.167 -6.142) 23.115 ======================= Grid point 1468 (689/860) ======================= q-point: (-0.05 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -0.101 12.475 24.202) 27.229 2.061 ( -2.811 31.697 9.017) 33.075 2.497 ( -6.817 10.200 -25.876) 28.637 3.052 ( -5.625 -5.889 6.806) 10.613 3.890 ( 0.553 18.692 -1.846) 18.791 6.959 ( -0.433 1.988 10.238) 10.438 7.364 ( 4.180 -12.499 -1.020) 13.219 8.128 ( -6.011 -5.668 -7.243) 10.987 14.052 ( -0.294 14.476 -1.642) 14.572 15.708 ( 0.730 -10.897 -1.658) 11.047 16.518 ( 0.759 27.091 0.313) 27.103 18.343 ( 0.432 -14.669 -0.103) 14.675 ======================= Grid point 1470 (690/860) ======================= q-point: ( 0.05 0.05 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -0.566 0.000 3.948) 3.988 1.920 ( 14.121 -0.000 -14.530) 20.262 2.095 ( 4.349 -0.000 13.469) 14.153 3.212 ( 1.681 -0.000 6.189) 6.414 3.706 ( 1.669 -0.000 -2.206) 2.767 7.030 ( 1.697 -0.000 0.277) 1.720 7.442 ( -4.885 0.000 -3.037) 5.752 8.169 ( 8.967 -0.000 1.166) 9.043 13.904 ( 0.442 -0.000 0.123) 0.458 15.859 ( -2.877 0.000 0.419) 2.907 16.196 ( 0.470 -0.000 -0.004) 0.470 18.460 ( -2.911 0.000 1.434) 3.245 ======================= Grid point 1471 (691/860) ======================= q-point: ( 0.11 0.05 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 5.053 -7.034 -23.783) 25.311 2.125 ( 0.454 -33.331 1.991) 33.393 2.384 ( 13.929 -11.792 22.471) 28.948 3.165 ( 7.311 8.346 4.288) 11.895 3.895 ( 1.496 -18.710 -1.061) 18.800 7.048 ( 1.658 0.076 -1.122) 2.004 7.293 ( -6.416 7.336 -5.665) 11.273 8.213 ( 12.367 6.602 4.781) 14.812 14.042 ( 0.196 -13.634 0.802) 13.659 15.674 ( -1.998 10.620 0.400) 10.814 16.503 ( -1.521 -25.441 -0.356) 25.489 18.300 ( -3.729 15.364 1.400) 15.872 ======================= Grid point 1472 (692/860) ======================= q-point: ( 0.16 0.05 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 2.482 -6.983 -19.049) 20.440 2.710 ( 2.172 -5.419 3.978) 7.065 2.864 ( 1.145 -45.813 1.548) 45.853 3.302 ( 22.171 -10.057 15.251) 28.728 4.320 ( 1.259 -27.280 -0.256) 27.310 6.938 ( -4.553 11.637 0.758) 12.519 7.186 ( -0.050 -5.273 -12.604) 13.663 8.180 ( 14.028 12.528 7.545) 20.265 14.326 ( -0.668 -16.234 1.853) 16.353 15.523 ( -1.417 5.240 1.040) 5.526 16.923 ( -3.313 -22.522 -1.773) 22.833 17.896 ( -4.325 26.659 3.015) 27.175 ======================= Grid point 1473 (693/860) ======================= q-point: ( 0.21 0.05 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 0.912 -7.478 -16.824) 18.434 2.806 ( 0.763 -8.319 -1.583) 8.503 3.706 ( 4.572 -44.351 -0.713) 44.592 3.869 ( 19.835 -21.205 20.056) 35.289 4.846 ( 1.874 -30.273 0.175) 30.331 6.696 ( -5.330 9.362 -1.586) 10.889 7.270 ( 1.918 -9.162 -14.235) 17.037 8.076 ( 14.154 16.369 9.334) 23.567 14.582 ( -1.051 -11.994 2.150) 12.230 15.473 ( -1.015 0.280 2.094) 2.344 17.081 ( -3.361 8.558 -13.278) 16.151 17.447 ( -5.591 13.092 14.961) 20.652 ======================= Grid point 1474 (694/860) ======================= q-point: ( 0.26 0.05 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 0.039 -9.017 -13.989) 16.643 3.062 ( 1.688 -20.351 -0.818) 20.437 4.346 ( 17.462 -16.038 9.300) 25.468 4.600 ( 3.859 -40.898 7.878) 41.829 5.404 ( 3.376 -29.800 0.369) 29.993 6.529 ( -4.776 3.445 -2.393) 6.357 7.380 ( 3.688 -6.812 -13.009) 15.141 7.946 ( 11.973 13.980 8.748) 20.380 14.752 ( -0.769 -7.271 1.379) 7.440 15.515 ( -0.596 -4.437 2.841) 5.302 16.520 ( -3.668 35.026 -7.403) 35.987 17.425 ( -5.310 1.175 10.142) 11.508 ======================= Grid point 1475 (695/860) ======================= q-point: ( 0.32 0.05 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -0.358 -11.150 -10.400) 15.251 3.532 ( 2.120 -30.228 1.626) 30.345 4.697 ( 15.360 -4.111 7.131) 17.427 5.327 ( 2.762 -32.353 5.749) 32.976 5.941 ( 4.452 -26.733 -0.124) 27.101 6.504 ( -4.100 -7.787 -2.034) 9.032 7.402 ( 8.709 6.821 -1.124) 11.119 7.914 ( 5.457 -1.064 -0.679) 5.601 14.821 ( -0.822 0.257 -2.508) 2.652 15.627 ( 0.357 -4.378 0.422) 4.413 15.872 ( -3.472 27.566 1.386) 27.818 17.334 ( -4.455 9.309 8.163) 13.158 ======================= Grid point 1476 (696/860) ======================= q-point: ( 0.37 0.05 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -0.888 -13.697 -6.976) 15.397 4.147 ( 2.200 -34.777 3.895) 35.064 4.802 ( 13.027 7.672 1.794) 15.224 5.757 ( 0.767 -11.655 4.229) 12.423 6.391 ( 4.168 -20.229 -0.367) 20.657 6.799 ( -1.698 -28.363 0.186) 28.415 7.311 ( 11.047 13.225 9.634) 19.742 8.034 ( 0.856 -10.415 -8.213) 13.291 14.583 ( -2.587 23.088 -10.048) 25.312 15.452 ( 0.469 7.219 3.861) 8.200 15.871 ( -0.287 -10.328 5.276) 11.601 17.114 ( -3.610 15.466 8.108) 17.832 ======================= Grid point 1477 (697/860) ======================= q-point: ( 0.42 0.05 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -1.735 -16.659 -3.933) 17.205 4.621 ( 7.713 10.524 -3.999) 13.646 4.840 ( 5.332 -25.586 7.040) 27.067 5.871 ( -0.348 -1.730 2.308) 2.905 6.734 ( 2.037 -15.538 0.218) 15.672 7.198 ( 9.349 8.700 13.495) 18.580 7.388 ( 0.518 -29.275 -0.355) 29.282 8.187 ( -0.306 -10.577 -8.395) 13.507 14.014 ( -2.784 29.578 -9.309) 31.133 15.474 ( 1.190 -3.654 4.040) 5.576 16.073 ( 1.053 -8.815 1.603) 9.021 16.838 ( -3.260 15.997 9.551) 18.914 ======================= Grid point 1478 (698/860) ======================= q-point: ( 0.47 0.05 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -2.731 -19.584 -1.051) 19.802 4.323 ( 8.421 23.951 -3.480) 25.626 5.387 ( 2.635 -24.227 5.197) 24.917 5.880 ( -0.491 0.821 1.372) 1.672 6.966 ( -0.387 -9.784 -0.134) 9.792 7.149 ( 5.933 8.302 8.965) 13.583 7.890 ( 0.496 -23.677 0.291) 23.684 8.314 ( 0.424 -7.197 -5.029) 8.790 13.489 ( -2.032 22.093 -5.972) 22.976 15.583 ( 0.974 -5.432 2.167) 5.929 16.148 ( 1.612 2.931 -2.304) 4.061 16.658 ( -2.582 4.892 9.860) 11.306 ======================= Grid point 1479 (699/860) ======================= q-point: ( 0.53 0.05 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( -3.481 -21.331 2.007) 21.706 3.925 ( 7.231 26.209 -1.220) 27.216 5.724 ( 0.410 -8.433 2.493) 8.804 5.861 ( 0.522 0.412 -0.298) 0.729 7.070 ( -1.704 -1.046 0.070) 2.001 7.085 ( -0.041 2.278 0.670) 2.375 8.187 ( 0.774 -8.364 0.606) 8.421 8.396 ( 1.764 -2.231 -0.604) 2.908 13.186 ( -1.086 7.850 -1.501) 8.065 15.681 ( 0.299 -3.400 0.838) 3.514 16.032 ( 0.271 6.604 -0.361) 6.620 16.677 ( -0.132 -2.512 2.386) 3.467 ======================= Grid point 1480 (700/860) ======================= q-point: (-0.42 0.05 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( 6.780 24.071 4.208) 25.359 3.720 ( -4.915 -19.941 2.543) 20.695 5.666 ( -2.385 11.794 0.193) 12.034 5.902 ( 1.917 -1.975 -3.246) 4.256 6.964 ( -7.865 1.945 -9.872) 12.771 7.087 ( -0.222 2.095 2.698) 3.423 8.188 ( 0.656 9.276 0.069) 9.299 8.409 ( 2.750 3.550 3.735) 5.841 13.197 ( -0.125 -9.096 3.627) 9.793 15.672 ( -0.363 4.535 -0.293) 4.559 16.010 ( -0.863 -3.845 1.779) 4.323 16.723 ( 2.008 -2.852 -6.157) 7.076 ======================= Grid point 1481 (701/860) ======================= q-point: (-0.37 0.05 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 5.802 24.831 6.548) 26.327 4.073 ( -5.792 -20.305 5.226) 21.752 5.306 ( -2.622 25.367 -3.110) 25.692 5.916 ( 1.070 -0.479 -3.916) 4.088 6.787 ( -11.842 2.805 -13.920) 18.489 7.035 ( -0.843 3.649 0.665) 3.804 7.885 ( 0.077 24.246 -0.626) 24.254 8.349 ( 2.972 8.793 6.905) 11.569 13.521 ( 0.690 -23.101 8.455) 24.609 15.561 ( -0.649 5.994 -2.031) 6.362 16.087 ( -1.591 -2.340 2.610) 3.849 16.787 ( 3.675 -8.260 -12.728) 15.612 ======================= Grid point 1482 (702/860) ======================= q-point: (-0.32 0.05 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 4.815 21.696 9.748) 24.268 4.352 ( -6.510 -13.229 4.471) 15.407 4.735 ( -2.719 33.434 -4.378) 33.829 5.895 ( 0.506 1.907 -5.001) 5.376 6.535 ( -10.840 9.114 -10.004) 17.339 6.978 ( -4.265 -1.576 -5.285) 6.972 7.374 ( -0.253 31.566 -0.242) 31.568 8.213 ( 2.248 12.903 8.204) 15.454 14.058 ( 1.052 -29.779 12.313) 32.242 15.450 ( -0.786 3.528 -4.073) 5.445 16.047 ( -0.575 5.679 -1.432) 5.885 16.981 ( 3.952 -16.392 -13.230) 21.432 ======================= Grid point 1483 (703/860) ======================= q-point: (-0.26 0.05 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 4.333 18.132 12.838) 22.635 4.070 ( -2.585 35.525 -1.514) 35.651 4.454 ( -7.803 -2.548 -2.130) 8.481 5.757 ( 0.122 13.352 -7.318) 15.226 6.198 ( -7.794 16.674 -3.282) 18.696 6.844 ( 0.847 25.001 1.013) 25.036 6.998 ( -7.963 -9.231 -7.222) 14.170 8.018 ( 1.104 14.433 7.577) 16.338 14.611 ( 0.363 -21.116 12.895) 24.745 15.444 ( -0.499 -8.234 -2.948) 8.760 15.907 ( 1.078 6.727 -6.273) 9.261 17.261 ( 3.926 -17.121 -12.260) 21.421 ======================= Grid point 1484 (704/860) ======================= q-point: (-0.21 0.05 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 4.377 14.965 15.587) 22.047 3.452 ( -2.410 31.176 2.089) 31.339 4.292 ( -9.686 9.710 -9.957) 16.948 5.295 ( 0.007 33.975 -7.468) 34.786 5.792 ( -4.669 22.753 0.319) 23.229 6.590 ( 1.245 5.658 2.032) 6.139 7.109 ( -7.604 -11.828 -1.636) 14.156 7.814 ( -0.401 11.025 3.443) 11.557 14.817 ( -0.731 -0.051 4.615) 4.673 15.618 ( -0.305 0.017 -0.214) 0.373 15.975 ( 2.461 -25.151 -1.166) 25.298 17.498 ( 3.973 -11.880 -12.967) 18.030 ======================= Grid point 1485 (705/860) ======================= q-point: (-0.16 0.05 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 4.569 12.827 17.621) 22.269 2.983 ( -2.183 21.433 7.272) 22.738 3.877 ( -11.008 19.911 -16.327) 28.003 4.564 ( 0.107 43.560 -6.169) 43.995 5.326 ( -1.839 27.097 0.752) 27.170 6.619 ( 1.073 -5.427 1.776) 5.810 7.226 ( -3.282 -2.286 10.849) 11.563 7.697 ( -3.313 -1.850 -6.663) 7.668 14.756 ( -0.697 6.454 0.887) 6.551 15.545 ( 0.729 3.296 -4.283) 5.453 16.586 ( 1.193 -33.774 9.326) 35.059 17.604 ( 3.597 -3.991 -15.770) 16.660 ======================= Grid point 1486 (706/860) ======================= q-point: (-0.11 0.05 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 4.433 12.120 18.956) 22.932 2.747 ( -1.332 9.118 13.004) 15.938 3.293 ( -10.478 25.381 -19.746) 33.821 3.740 ( 0.219 45.579 -6.498) 46.040 4.818 ( -0.396 29.224 -0.003) 29.227 6.783 ( 0.451 -10.888 1.346) 10.980 7.227 ( 1.232 6.504 15.001) 16.397 7.768 ( -4.489 -12.572 -10.207) 16.804 14.595 ( -0.529 11.610 -0.201) 11.624 15.509 ( 0.752 -0.890 -3.915) 4.085 17.122 ( 0.636 -11.566 14.165) 18.298 17.613 ( 1.967 -10.650 -18.760) 21.662 ======================= Grid point 1487 (707/860) ======================= q-point: (-0.05 0.05 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 4.988 12.418 21.898) 25.663 2.611 ( -1.246 21.150 -9.115) 23.064 2.718 ( -5.775 25.738 5.426) 26.930 3.019 ( -0.174 17.604 -10.029) 20.261 4.307 ( 0.214 27.444 -0.701) 27.454 6.973 ( -0.397 -7.055 2.115) 7.375 7.231 ( 2.027 -1.865 7.808) 8.279 7.921 ( -1.178 -10.947 -6.269) 12.670 14.335 ( -0.415 16.661 -0.800) 16.685 15.556 ( 0.294 -5.726 -2.393) 6.213 16.985 ( 0.331 22.790 1.036) 22.816 17.969 ( -0.498 -26.044 -3.112) 26.234 ======================= Grid point 1490 (708/860) ======================= q-point: ( 0.11 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.796 -0.000 1.391) 1.603 1.870 ( 9.980 -0.000 -23.290) 25.338 2.511 ( 13.745 -0.000 22.672) 26.513 3.351 ( 11.970 -0.000 3.601) 12.500 3.718 ( 2.054 -0.000 -1.621) 2.617 7.047 ( 3.278 -0.000 -5.879) 6.731 7.278 ( -10.870 0.000 -3.342) 11.372 8.418 ( 15.580 -0.000 7.689) 17.374 13.920 ( 0.931 -0.000 0.859) 1.267 15.804 ( -4.734 0.000 1.318) 4.914 16.200 ( 0.805 -0.000 -1.410) 1.624 18.408 ( -4.921 0.000 0.918) 5.006 ======================= Grid point 1491 (709/860) ======================= q-point: ( 0.16 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 8.032 -3.793 -20.159) 22.029 2.145 ( 1.636 -32.807 -1.070) 32.866 2.728 ( 5.484 -2.205 13.357) 14.606 3.470 ( 22.994 0.147 9.809) 24.999 3.919 ( 3.016 -18.587 -0.953) 18.854 7.053 ( 2.307 -2.698 -13.716) 14.168 7.087 ( -10.397 9.325 1.008) 14.002 8.525 ( 16.612 7.563 9.430) 20.544 14.060 ( 0.402 -13.052 1.871) 13.192 15.642 ( -2.983 9.065 1.407) 9.646 16.467 ( -1.943 -23.442 -1.111) 23.549 18.234 ( -5.751 14.641 0.749) 15.748 ======================= Grid point 1492 (710/860) ======================= q-point: ( 0.21 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 5.529 -4.590 -17.619) 19.028 2.714 ( 3.185 -8.769 -8.426) 12.572 2.932 ( -0.435 -36.438 9.380) 37.629 3.873 ( 25.940 -12.674 17.695) 33.862 4.357 ( 4.904 -26.723 -0.245) 27.170 6.802 ( -10.468 9.869 -4.448) 15.058 7.095 ( 4.003 -4.887 -12.162) 13.705 8.512 ( 15.994 13.713 9.293) 23.027 14.337 ( -0.726 -15.526 2.731) 15.781 15.513 ( -1.903 4.229 2.611) 5.322 16.841 ( -4.009 -19.697 -2.587) 20.266 17.839 ( -6.432 23.760 3.325) 24.838 ======================= Grid point 1493 (711/860) ======================= q-point: ( 0.26 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 3.907 -6.043 -14.340) 16.044 2.809 ( 2.453 -9.064 -3.076) 9.881 3.756 ( 1.888 -46.884 1.883) 46.960 4.402 ( 20.022 -14.998 17.901) 30.761 4.913 ( 7.857 -29.300 0.763) 30.345 6.554 ( -8.549 6.497 -4.667) 11.708 7.184 ( 3.903 -8.338 -13.584) 16.409 8.398 ( 14.445 17.542 8.524) 24.271 14.586 ( -1.087 -11.764 2.437) 12.063 15.482 ( -1.250 -0.343 3.818) 4.032 16.909 ( -3.532 11.428 -11.254) 16.424 17.470 ( -7.727 9.043 13.041) 17.651 ======================= Grid point 1494 (712/860) ======================= q-point: ( 0.32 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 3.425 -8.224 -9.485) 13.012 3.090 ( 2.650 -21.419 -0.670) 21.593 4.557 ( 5.481 -36.389 0.738) 36.807 4.886 ( 13.417 -17.301 15.006) 26.543 5.493 ( 8.049 -27.684 0.918) 28.845 6.400 ( -7.028 0.890 -4.387) 8.333 7.324 ( 4.065 -10.371 -11.591) 16.076 8.222 ( 12.039 18.349 7.136) 23.077 14.751 ( -0.785 -6.581 1.095) 6.718 15.538 ( -0.628 -4.644 4.192) 6.288 16.389 ( -3.676 31.776 -7.459) 32.846 17.428 ( -6.614 1.561 11.115) 13.028 ======================= Grid point 1495 (713/860) ======================= q-point: ( 0.37 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 3.186 -9.780 -4.804) 11.353 3.589 ( 2.595 -31.386 2.254) 31.574 4.987 ( 13.513 -3.767 3.332) 14.418 5.442 ( 3.589 -27.216 7.004) 28.331 6.013 ( 4.863 -24.952 -0.674) 25.430 6.407 ( -4.602 -11.279 -2.676) 12.472 7.497 ( 6.189 -7.505 -3.462) 10.325 8.036 ( 7.648 13.217 2.228) 15.433 14.775 ( -1.069 4.850 -3.916) 6.325 15.640 ( 0.584 0.039 0.776) 0.972 15.838 ( -3.134 16.949 2.984) 17.493 17.339 ( -5.044 8.694 9.355) 13.731 ======================= Grid point 1496 (714/860) ======================= q-point: ( 0.42 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 2.579 -11.602 -1.204) 11.946 4.222 ( 2.321 -34.669 4.062) 34.983 5.030 ( 13.172 10.702 0.410) 16.976 5.797 ( -0.428 -9.131 3.310) 9.722 6.432 ( 2.329 -19.464 -1.812) 19.686 6.778 ( -0.975 -32.291 0.543) 32.310 7.583 ( 10.226 9.804 10.602) 17.695 7.973 ( 1.240 -5.878 -8.522) 10.426 14.446 ( -2.434 25.334 -10.116) 27.387 15.505 ( 0.825 4.405 5.157) 6.832 15.912 ( -0.196 -10.246 4.265) 11.100 17.135 ( -3.823 14.627 9.174) 17.684 ======================= Grid point 1497 (715/860) ======================= q-point: ( 0.47 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 1.644 -14.207 1.654) 14.397 4.697 ( 5.761 1.771 -2.930) 6.701 5.014 ( 7.665 -14.106 6.235) 17.223 5.881 ( -0.547 -1.397 1.614) 2.203 6.735 ( -0.483 -14.948 -1.132) 14.999 7.385 ( -0.144 -30.911 -0.107) 30.912 7.451 ( 6.494 13.022 8.493) 16.849 8.136 ( 2.525 -11.610 -4.625) 12.750 13.884 ( -2.413 27.968 -9.186) 29.536 15.540 ( 1.369 -2.502 5.539) 6.230 16.098 ( 1.066 -7.756 0.107) 7.830 16.877 ( -3.263 15.092 10.124) 18.464 ======================= Grid point 1498 (716/860) ======================= q-point: ( 0.53 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 0.570 -17.202 4.166) 17.708 4.441 ( 9.061 23.727 -1.944) 25.473 5.479 ( 2.637 -21.080 4.982) 21.820 5.883 ( -0.109 0.996 0.702) 1.224 6.943 ( -1.822 -9.907 0.186) 10.075 7.224 ( -1.355 12.480 -2.268) 12.757 7.919 ( 1.654 -23.150 1.941) 23.290 8.331 ( 4.248 -7.705 0.797) 8.834 13.401 ( -1.803 19.377 -6.034) 20.375 15.630 ( 1.146 -3.554 4.186) 5.610 16.148 ( 1.370 3.405 -2.970) 4.721 16.705 ( -2.347 5.530 8.753) 10.616 ======================= Grid point 1499 (717/860) ======================= q-point: (-0.42 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( -0.622 -19.700 6.215) 20.666 4.062 ( 9.295 27.027 2.052) 28.655 5.742 ( -0.771 -3.732 2.116) 4.358 5.871 ( 1.585 -0.491 -1.403) 2.174 6.946 ( -8.414 8.365 -9.613) 15.270 7.080 ( -0.392 -3.513 1.232) 3.743 8.216 ( 1.282 -7.487 0.928) 7.653 8.470 ( 4.822 -2.215 4.333) 6.851 13.154 ( -1.028 4.401 -1.700) 4.829 15.706 ( 0.425 -1.498 3.111) 3.479 16.032 ( 0.326 6.278 -0.858) 6.344 16.689 ( -0.223 -0.389 0.757) 0.880 ======================= Grid point 1500 (718/860) ======================= q-point: (-0.37 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.640 ( 1.633 11.805 -0.330) 11.922 3.742 ( 5.835 -4.576 14.428) 16.222 5.628 ( -2.046 13.794 -0.395) 13.950 5.896 ( 1.337 -0.838 -3.689) 4.013 6.662 ( -12.854 5.810 -16.921) 22.030 7.115 ( 0.191 1.481 3.208) 3.539 8.198 ( 0.580 10.345 -0.255) 10.365 8.521 ( 4.451 3.674 6.201) 8.471 13.227 ( -0.200 -12.709 3.217) 13.111 15.676 ( -0.151 6.319 1.982) 6.624 16.011 ( -0.621 -3.892 1.240) 4.131 16.688 ( 1.565 -0.913 -7.410) 7.629 ======================= Grid point 1501 (719/860) ======================= q-point: (-0.32 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 6.873 24.755 7.496) 26.763 4.084 ( -0.752 -15.955 10.467) 19.097 5.239 ( -2.052 26.762 -2.903) 26.997 5.891 ( 0.431 0.042 -4.078) 4.101 6.393 ( -15.269 1.418 -20.174) 25.341 7.056 ( 0.348 6.821 2.859) 7.404 7.880 ( 0.044 24.719 -0.690) 24.729 8.468 ( 3.380 9.204 6.576) 11.806 13.607 ( 0.446 -26.206 7.742) 27.330 15.544 ( -0.380 8.037 0.109) 8.047 16.083 ( -1.178 -1.558 1.570) 2.506 16.721 ( 2.832 -7.929 -12.589) 15.145 ======================= Grid point 1502 (720/860) ======================= q-point: (-0.26 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 6.346 21.757 10.456) 24.959 4.331 ( -1.991 -7.348 6.868) 10.253 4.662 ( -1.953 33.883 -3.210) 34.091 5.855 ( 0.227 2.827 -4.710) 5.498 6.184 ( -14.360 -1.066 -16.790) 22.119 6.931 ( -0.581 6.965 0.564) 7.012 7.368 ( -0.143 31.112 -0.290) 31.114 8.318 ( 2.230 13.482 6.151) 14.986 14.184 ( 0.548 -31.795 11.427) 33.791 15.410 ( -0.533 5.176 -2.334) 5.703 16.020 ( -0.175 6.877 -2.980) 7.497 16.920 ( 2.729 -17.192 -11.302) 20.754 ======================= Grid point 1503 (721/860) ======================= q-point: (-0.21 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 5.792 17.790 12.192) 22.332 4.022 ( -1.751 34.448 -1.014) 34.507 4.340 ( -4.008 5.396 -1.621) 6.914 5.699 ( 0.408 14.611 -5.747) 15.706 6.006 ( -8.724 6.086 -6.362) 12.394 6.852 ( -3.086 13.934 1.306) 14.331 6.874 ( 0.135 5.985 -2.965) 6.681 8.098 ( 1.374 15.692 4.889) 16.493 14.728 ( -0.333 -17.614 11.629) 21.109 15.418 ( -0.351 -12.082 -1.176) 12.144 15.861 ( 1.102 7.152 -7.253) 10.245 17.209 ( 2.363 -17.287 -9.698) 19.962 ======================= Grid point 1504 (722/860) ======================= q-point: (-0.16 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 5.138 14.121 12.398) 19.481 3.443 ( -1.239 29.160 2.253) 29.273 4.074 ( -5.478 16.688 -8.749) 19.622 5.240 ( 0.627 33.960 -5.498) 34.407 5.726 ( -3.080 18.701 0.198) 18.954 6.617 ( 0.054 5.012 1.608) 5.263 7.005 ( -3.155 -14.821 -1.029) 15.188 7.848 ( 0.889 14.996 2.141) 15.174 14.843 ( -0.862 2.906 3.592) 4.700 15.612 ( -0.271 3.679 0.077) 3.690 15.999 ( 1.358 -32.775 -0.751) 32.811 17.439 ( 1.853 -10.970 -9.627) 14.713 ======================= Grid point 1505 (723/860) ======================= q-point: (-0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 3.842 11.537 10.353) 15.970 3.025 ( -0.537 18.586 5.930) 19.517 3.613 ( -3.797 25.078 -10.689) 27.524 4.523 ( 0.830 43.771 -4.344) 43.994 5.312 ( -0.708 26.207 0.952) 26.234 6.640 ( -0.128 -5.580 1.179) 5.704 7.276 ( 0.056 -13.829 6.761) 15.394 7.624 ( 0.361 8.968 -4.855) 10.204 14.753 ( -0.779 7.074 1.089) 7.200 15.521 ( 0.344 3.552 -2.686) 4.467 16.672 ( -0.179 -37.370 6.757) 37.976 17.513 ( 0.886 -1.103 -10.893) 10.985 ======================= Grid point 1506 (724/860) ======================= q-point: (-0.05 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 1.772 9.147 5.563) 10.852 2.846 ( -1.743 5.096 6.510) 8.448 3.070 ( 4.197 30.123 -4.975) 30.819 3.702 ( 1.002 47.110 -4.042) 47.294 4.816 ( 0.009 29.286 0.306) 29.288 6.790 ( -0.875 -10.605 0.754) 10.668 7.367 ( 1.887 8.696 6.936) 11.282 7.664 ( 2.501 -15.363 -5.744) 16.591 14.586 ( -0.764 11.917 0.563) 11.954 15.488 ( 0.067 -0.948 -1.954) 2.173 17.256 ( -1.031 -6.271 14.797) 16.104 17.453 ( -0.792 -15.939 -16.858) 23.214 ======================= Grid point 1510 (725/860) ======================= q-point: ( 0.16 0.16 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 1.842 -0.000 -0.782) 2.001 1.841 ( 10.187 -0.000 -18.668) 21.267 2.820 ( 4.014 -0.000 11.322) 12.013 3.741 ( 2.320 -0.000 -1.123) 2.577 3.748 ( 29.267 -0.000 9.230) 30.688 6.941 ( -5.482 0.000 -18.421) 19.220 7.128 ( -4.931 0.000 5.225) 7.184 8.786 ( 17.171 -0.000 12.056) 20.980 13.950 ( 1.303 -0.000 1.551) 2.026 15.734 ( -5.566 0.000 1.854) 5.867 16.196 ( 1.049 -0.000 -2.708) 2.904 18.312 ( -6.957 0.000 -0.901) 7.015 ======================= Grid point 1511 (726/860) ======================= q-point: ( 0.21 0.16 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 8.877 -1.607 -16.438) 18.750 2.160 ( 2.646 -31.658 -3.188) 31.928 2.849 ( 0.490 2.733 5.881) 6.503 3.879 ( 5.587 -12.574 3.690) 14.246 4.139 ( 29.979 -9.984 9.875) 33.104 6.771 ( -11.727 2.736 -14.402) 18.773 7.088 ( 2.252 2.909 -1.419) 3.943 8.897 ( 15.989 9.104 11.771) 21.842 14.089 ( 0.525 -12.310 2.603) 12.594 15.606 ( -3.444 6.849 2.289) 8.000 16.421 ( -1.881 -21.028 -2.009) 21.207 18.122 ( -7.639 13.426 -1.321) 15.504 ======================= Grid point 1512 (727/860) ======================= q-point: ( 0.26 0.16 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 7.304 -2.664 -13.840) 15.874 2.693 ( 4.696 -12.116 -9.324) 15.993 3.005 ( -1.029 -32.663 8.599) 33.792 4.253 ( 3.771 -21.374 5.729) 22.448 4.669 ( 29.758 -15.782 11.194) 35.495 6.541 ( -12.148 4.819 -9.996) 16.454 7.080 ( 5.340 -1.381 -8.413) 10.059 8.849 ( 14.061 15.307 9.087) 22.684 14.352 ( -0.733 -14.617 3.038) 14.947 15.511 ( -2.062 2.890 3.912) 5.283 16.749 ( -3.953 -16.817 -2.834) 17.506 17.743 ( -8.264 20.182 1.588) 21.866 ======================= Grid point 1513 (728/860) ======================= q-point: ( 0.32 0.16 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 6.546 -5.571 -8.952) 12.411 2.830 ( 3.532 -10.034 -2.865) 11.016 3.804 ( 1.522 -47.172 2.345) 47.254 4.710 ( 3.660 -22.744 6.853) 24.034 5.242 ( 25.737 -16.642 9.874) 32.200 6.336 ( -10.443 2.610 -8.035) 13.432 7.149 ( 5.483 -6.505 -10.454) 13.478 8.687 ( 11.753 18.679 6.727) 23.072 14.591 ( -1.053 -11.426 2.323) 11.707 15.503 ( -1.263 -1.041 5.073) 5.331 16.758 ( -3.207 13.508 -9.227) 16.670 17.439 ( -9.119 4.812 10.052) 14.400 ======================= Grid point 1514 (729/860) ======================= q-point: ( 0.37 0.16 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 6.477 -7.848 -2.837) 10.564 3.135 ( 3.139 -22.331 0.061) 22.550 4.634 ( 3.516 -41.516 1.041) 41.678 5.156 ( 5.748 -19.118 7.153) 21.207 5.725 ( 16.363 -13.664 4.833) 21.859 6.227 ( -7.445 -3.518 -5.762) 10.050 7.308 ( 5.399 -11.548 -8.127) 15.119 8.454 ( 9.099 20.237 4.916) 22.726 14.746 ( -0.827 -5.506 0.680) 5.609 15.572 ( -0.489 -4.782 4.998) 6.935 16.267 ( -3.244 28.872 -6.343) 29.738 17.414 ( -7.152 0.352 10.118) 12.395 ======================= Grid point 1515 (730/860) ======================= q-point: ( 0.42 0.16 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 6.113 -8.322 1.710) 10.466 3.657 ( 2.797 -32.298 2.846) 32.543 5.195 ( 10.249 -10.260 0.191) 14.503 5.548 ( 2.124 -18.617 4.118) 19.185 6.067 ( 1.277 -20.119 -1.507) 20.216 6.344 ( 0.803 -14.790 -0.722) 14.829 7.568 ( 6.472 -14.703 -2.356) 16.236 8.173 ( 5.765 20.172 2.414) 21.118 14.716 ( -1.272 9.747 -4.618) 10.861 15.662 ( 0.850 3.392 1.528) 3.816 15.824 ( -2.477 7.316 3.647) 8.541 17.343 ( -5.052 7.464 9.176) 12.862 ======================= Grid point 1516 (731/860) ======================= q-point: ( 0.47 0.16 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 5.245 -9.478 4.526) 11.740 4.299 ( 2.554 -34.078 4.027) 34.410 5.224 ( 10.919 11.104 -1.900) 15.689 5.809 ( -0.781 -8.438 2.156) 8.744 6.436 ( 0.424 -18.179 -2.217) 18.318 6.783 ( 0.439 -33.449 1.596) 33.490 7.827 ( 6.871 13.854 8.480) 17.637 7.920 ( 2.579 -8.787 -6.704) 11.349 14.319 ( -2.083 26.859 -9.045) 28.418 15.572 ( 0.982 2.322 6.026) 6.532 15.944 ( 0.028 -9.956 2.720) 10.321 17.159 ( -3.595 13.603 9.052) 16.731 ======================= Grid point 1517 (732/860) ======================= q-point: ( 0.53 0.16 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( 4.083 -11.920 6.425) 14.143 4.765 ( 5.644 -2.997 -1.825) 6.645 5.183 ( 6.215 -9.069 4.605) 11.920 5.891 ( 0.731 -1.120 0.833) 1.576 6.708 ( -1.819 -14.521 -0.568) 14.645 7.361 ( -2.235 -16.610 -1.318) 16.812 7.549 ( 1.397 2.380 -0.464) 2.798 8.208 ( 6.757 -12.078 3.180) 14.200 13.767 ( -1.947 26.895 -8.140) 28.167 15.620 ( 1.348 -1.855 6.737) 7.116 16.109 ( 0.995 -6.596 -1.498) 6.837 16.918 ( -2.839 14.357 9.410) 17.400 ======================= Grid point 1518 (733/860) ======================= q-point: ( 0.58 0.16 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 2.650 -14.920 7.552) 16.931 4.585 ( 9.780 21.123 0.033) 23.277 5.558 ( 1.426 -17.521 4.462) 18.136 5.894 ( 1.286 1.348 -0.133) 1.868 6.905 ( -3.984 -8.261 0.240) 9.175 7.095 ( -5.752 13.701 -8.875) 17.308 7.962 ( 1.588 -22.330 1.038) 22.410 8.454 ( 6.447 -7.198 5.266) 11.005 13.320 ( -1.501 17.219 -5.392) 18.106 15.696 ( 1.087 -2.010 5.901) 6.328 16.136 ( 1.038 3.362 -3.760) 5.149 16.744 ( -1.803 6.777 6.921) 9.853 ======================= Grid point 1519 (734/860) ======================= q-point: (-0.37 0.16 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( 0.535 -16.525 6.662) 17.825 4.277 ( 11.943 24.414 7.210) 28.118 5.742 ( -1.335 -0.458 1.803) 2.290 5.883 ( 1.970 0.263 -2.280) 3.025 6.649 ( -12.882 12.955 -15.001) 23.639 7.093 ( -0.156 -5.464 2.162) 5.878 8.238 ( 0.967 -6.637 0.026) 6.707 8.608 ( 5.413 -1.579 5.920) 8.176 13.122 ( -0.918 1.429 -1.551) 2.300 15.751 ( 0.340 0.135 4.967) 4.980 16.026 ( 0.380 5.576 -1.606) 5.815 16.685 ( -0.170 2.056 -0.658) 2.165 ======================= Grid point 1520 (735/860) ======================= q-point: (-0.32 0.16 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.620 ( -1.350 -1.671 -0.341) 2.175 4.081 ( 13.357 10.792 19.676) 26.115 5.595 ( -1.524 15.419 -0.499) 15.502 5.873 ( 0.150 0.336 -4.804) 4.819 6.258 ( -14.863 8.461 -19.061) 25.609 7.150 ( 0.305 0.990 3.016) 3.189 8.203 ( 0.455 11.005 -0.544) 11.027 8.648 ( 3.955 4.446 5.377) 8.020 13.250 ( -0.312 -15.896 2.636) 16.116 15.701 ( -0.094 7.811 3.548) 8.579 16.013 ( -0.300 -4.057 0.715) 4.130 16.639 ( 1.096 1.072 -7.652) 7.804 ======================= Grid point 1521 (736/860) ======================= q-point: (-0.26 0.16 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( 3.474 18.615 3.449) 19.248 4.270 ( 7.137 -5.619 17.784) 19.969 5.186 ( -1.540 27.780 -2.059) 27.899 5.830 ( -4.083 -1.403 -11.100) 11.910 5.970 ( -11.134 2.274 -14.009) 18.038 7.088 ( 0.335 7.429 2.460) 7.833 7.874 ( 0.117 25.026 -0.687) 25.036 8.570 ( 2.570 9.750 4.395) 10.999 13.676 ( 0.011 -28.990 6.165) 29.639 15.548 ( -0.239 9.879 1.627) 10.015 16.078 ( -0.581 -0.376 0.527) 0.869 16.649 ( 1.782 -8.001 -10.650) 13.439 ======================= Grid point 1522 (737/860) ======================= q-point: (-0.21 0.16 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 4.004 19.121 6.324) 20.534 4.416 ( 2.596 2.675 8.774) 9.533 4.611 ( -1.184 33.708 -1.933) 33.784 5.795 ( -4.949 -6.799 -12.547) 15.104 5.843 ( -5.360 1.765 -5.119) 7.619 6.938 ( 0.020 9.620 1.152) 9.688 7.364 ( 0.027 30.720 -0.301) 30.722 8.394 ( 1.606 13.824 3.216) 14.283 14.282 ( -0.253 -33.905 8.740) 35.014 15.389 ( -0.318 6.945 -0.794) 6.997 15.989 ( 0.234 8.178 -3.528) 8.910 16.863 ( 1.347 -17.856 -7.911) 19.577 ======================= Grid point 1523 (738/860) ======================= q-point: (-0.16 0.16 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 2.783 15.952 5.655) 17.152 3.996 ( -0.855 33.325 0.034) 33.336 4.294 ( -0.195 13.271 -0.815) 13.298 5.662 ( -0.161 15.322 -3.084) 15.630 5.857 ( -2.029 -2.456 -3.369) 4.637 6.816 ( -1.795 4.918 1.579) 5.469 6.879 ( 1.298 17.858 -1.384) 17.959 8.149 ( 1.146 16.099 1.677) 16.227 14.810 ( -1.025 -14.516 8.081) 16.645 15.409 ( -0.389 -16.277 0.328) 16.285 15.812 ( 0.937 8.429 -6.264) 10.544 17.161 ( 0.729 -17.105 -5.940) 18.121 ======================= Grid point 1524 (739/860) ======================= q-point: (-0.11 0.16 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 0.597 12.577 1.634) 12.697 3.451 ( -0.204 27.641 1.709) 27.694 3.987 ( 1.758 20.430 -1.495) 20.560 5.212 ( 0.741 33.740 -2.972) 33.879 5.714 ( 0.983 17.491 1.329) 17.569 6.623 ( -0.762 4.687 1.072) 4.868 6.993 ( 2.241 -16.148 0.108) 16.303 7.873 ( 1.068 16.157 -0.303) 16.196 14.857 ( -0.821 4.465 2.352) 5.113 15.611 ( -0.173 6.605 0.322) 6.615 16.001 ( -0.275 -37.794 -0.940) 37.807 17.385 ( -0.166 -9.946 -4.686) 10.996 ======================= Grid point 1525 (740/860) ======================= q-point: (-0.05 0.16 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -1.545 10.191 -5.068) 11.486 3.051 ( -0.659 17.805 1.318) 17.866 3.628 ( 9.002 24.960 5.319) 27.061 4.510 ( 1.181 43.874 -1.863) 43.929 5.323 ( 0.787 26.858 1.198) 26.896 6.637 ( -1.185 -5.413 0.267) 5.548 7.365 ( 6.040 -19.817 0.530) 20.724 7.607 ( 1.285 14.102 -1.001) 14.196 14.751 ( -0.797 7.476 1.323) 7.634 15.507 ( -0.056 3.838 -0.823) 3.926 16.694 ( -1.761 -39.595 1.049) 39.648 17.443 ( -1.448 1.108 -2.523) 3.113 ======================= Grid point 1530 (741/860) ======================= q-point: ( 0.21 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 9.984 -0.000 -14.433) 17.550 1.858 ( 2.480 -0.000 -2.331) 3.404 2.912 ( 0.280 -0.000 4.017) 4.026 3.772 ( 2.437 -0.000 -0.785) 2.561 4.399 ( 35.486 -0.000 12.732) 37.701 6.625 ( -11.443 0.000 -16.031) 19.696 7.134 ( 1.026 -0.000 0.693) 1.238 9.171 ( 13.824 -0.000 14.432) 19.985 13.990 ( 1.515 -0.000 2.143) 2.625 15.662 ( -5.337 0.000 2.161) 5.758 16.184 ( 1.174 -0.000 -3.781) 3.959 18.163 ( -8.489 0.000 -3.781) 9.293 ======================= Grid point 1531 (742/860) ======================= q-point: ( 0.26 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 9.421 -0.406 -12.075) 15.321 2.174 ( 3.276 -30.747 -4.051) 31.186 2.891 ( -0.195 2.589 3.388) 4.268 3.934 ( 1.862 -15.473 0.338) 15.589 4.810 ( 34.688 -6.861 13.284) 37.773 6.441 ( -11.772 1.973 -13.745) 18.204 7.117 ( 3.824 2.742 -2.819) 5.485 9.239 ( 11.371 10.664 12.199) 19.795 14.124 ( 0.573 -11.337 2.939) 11.726 15.575 ( -3.317 4.405 3.027) 6.291 16.370 ( -1.515 -18.640 -2.772) 18.906 17.961 ( -8.768 12.042 -4.258) 15.492 ======================= Grid point 1532 (743/860) ======================= q-point: ( 0.32 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 9.007 -2.029 -8.421) 12.496 2.698 ( 5.475 -13.944 -7.346) 16.685 3.057 ( -1.379 -31.861 6.733) 32.593 4.307 ( 0.922 -23.825 1.563) 23.894 5.310 ( 31.605 -11.105 13.306) 36.046 6.246 ( -10.895 2.684 -11.167) 15.831 7.104 ( 6.024 0.199 -6.347) 8.753 9.121 ( 9.323 16.620 7.645) 20.532 14.368 ( -0.671 -13.607 2.857) 13.920 15.519 ( -1.927 1.454 4.789) 5.363 16.664 ( -3.379 -14.577 -2.508) 15.172 17.600 ( -9.177 16.667 -1.327) 19.073 ======================= Grid point 1533 (744/860) ======================= q-point: ( 0.37 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 8.907 -6.109 -2.262) 11.035 2.871 ( 3.787 -10.654 -1.440) 11.398 3.847 ( 1.273 -47.847 1.917) 47.903 4.773 ( 0.840 -26.453 2.209) 26.558 5.798 ( 27.493 -8.029 11.831) 30.989 6.078 ( -10.520 -0.030 -9.921) 14.460 7.166 ( 6.429 -5.403 -6.773) 10.789 8.895 ( 7.131 19.373 4.367) 21.100 14.594 ( -0.957 -11.019 1.950) 11.231 15.534 ( -1.094 -1.737 5.669) 6.030 16.634 ( -2.578 15.410 -7.197) 17.202 17.364 ( -9.387 -0.071 6.627) 11.491 ======================= Grid point 1534 (745/860) ======================= q-point: ( 0.42 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 8.672 -7.600 3.766) 12.130 3.192 ( 3.073 -23.079 1.053) 23.306 4.697 ( 3.106 -43.904 1.022) 44.026 5.249 ( 2.144 -23.824 1.658) 23.978 5.907 ( -3.297 1.629 -4.712) 5.977 6.203 ( 13.060 -8.265 3.454) 15.837 7.355 ( 7.034 -12.583 -3.324) 14.794 8.602 ( 4.683 21.007 2.411) 21.658 14.737 ( -0.859 -4.124 0.242) 4.219 15.614 ( -0.226 -4.916 5.172) 7.139 16.167 ( -2.577 26.250 -4.847) 26.818 17.385 ( -6.785 -1.965 8.194) 10.819 ======================= Grid point 1535 (746/860) ======================= q-point: ( 0.47 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 7.693 -6.834 6.968) 12.427 3.732 ( 2.840 -33.092 3.402) 33.388 5.338 ( 8.368 -15.273 -1.706) 17.499 5.573 ( -1.045 -13.260 -0.539) 13.312 6.013 ( -4.181 -23.808 -2.068) 24.261 6.430 ( 7.253 -9.065 1.593) 11.718 7.674 ( 7.676 -16.223 0.352) 17.951 8.256 ( 2.118 22.032 1.208) 22.166 14.651 ( -1.289 13.939 -4.531) 14.713 15.695 ( 1.006 5.004 2.192) 5.555 15.823 ( -1.723 0.396 3.417) 3.847 17.345 ( -4.448 5.849 8.047) 10.898 ======================= Grid point 1536 (747/860) ======================= q-point: ( 0.53 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 6.311 -7.666 8.256) 12.914 4.383 ( 3.110 -33.661 4.196) 34.064 5.330 ( 5.289 9.327 -4.685) 11.701 5.834 ( 2.368 -9.270 1.765) 9.729 6.405 ( -1.631 -18.252 -2.062) 18.440 6.818 ( 1.280 -31.274 2.432) 31.394 7.820 ( -1.776 17.650 -6.032) 18.736 8.070 ( 8.156 -10.275 7.023) 14.880 14.212 ( -1.634 27.918 -7.366) 28.920 15.646 ( 0.897 0.536 6.405) 6.490 15.964 ( 0.291 -9.278 1.010) 9.337 17.186 ( -2.918 12.547 7.948) 15.136 ======================= Grid point 1537 (748/860) ======================= q-point: ( 0.58 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 4.748 -10.065 8.563) 14.041 4.854 ( 6.769 -5.350 -0.527) 8.644 5.284 ( 1.489 -9.687 2.705) 10.168 5.931 ( 3.799 0.271 0.219) 3.815 6.665 ( -3.149 -14.739 0.125) 15.072 7.278 ( -5.186 5.462 -3.194) 8.181 7.538 ( 0.458 -16.157 -3.099) 16.458 8.374 ( 7.134 -10.986 5.805) 14.328 13.671 ( -1.467 26.270 -6.467) 27.094 15.707 ( 1.106 -1.696 7.474) 7.743 16.102 ( 0.806 -5.354 -3.048) 6.213 16.959 ( -2.008 13.847 7.705) 15.973 ======================= Grid point 1538 (749/860) ======================= q-point: ( 0.63 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 2.872 -12.652 7.658) 15.065 4.760 ( 10.045 16.105 2.301) 19.120 5.603 ( -0.625 -15.258 3.807) 15.738 5.927 ( 3.285 2.692 -0.630) 4.294 6.748 ( -10.964 11.872 -7.747) 17.921 6.976 ( -1.616 -2.841 -2.145) 3.909 7.988 ( 1.096 -22.012 -0.031) 22.040 8.608 ( 5.553 -6.479 5.369) 10.082 13.253 ( -1.158 15.668 -4.135) 16.246 15.773 ( 0.794 -0.824 7.069) 7.161 16.110 ( 0.615 2.944 -4.706) 5.585 16.775 ( -0.973 8.309 4.775) 9.632 ======================= Grid point 1539 (750/860) ======================= q-point: (-0.32 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( 0.536 -12.246 4.438) 13.036 4.575 ( 12.917 17.704 11.367) 24.688 5.736 ( -1.168 1.138 1.560) 2.257 5.890 ( 1.669 3.577 -2.809) 4.845 6.276 ( -14.238 16.347 -15.332) 26.552 7.112 ( -0.101 -6.684 2.155) 7.023 8.250 ( 0.710 -6.149 -0.428) 6.205 8.735 ( 3.817 -0.837 4.371) 5.863 13.096 ( -0.764 -0.817 -1.017) 1.512 15.806 ( 0.049 1.565 6.002) 6.203 16.013 ( 0.358 4.293 -2.604) 5.033 16.674 ( 0.102 4.630 -1.466) 4.857 ======================= Grid point 1540 (751/860) ======================= q-point: (-0.26 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.601 ( -0.753 -1.063 -0.040) 1.303 4.505 ( 14.021 9.994 20.346) 26.654 5.572 ( -0.854 16.665 -0.138) 16.687 5.716 ( -10.529 7.627 -17.516) 21.814 5.947 ( -4.085 4.285 -5.033) 7.771 7.178 ( 0.075 0.727 2.171) 2.291 8.204 ( 0.403 11.377 -0.643) 11.403 8.739 ( 2.247 5.035 2.908) 6.234 13.265 ( -0.462 -18.207 1.987) 18.321 15.733 ( -0.217 8.878 3.730) 9.632 16.015 ( 0.038 -4.504 0.195) 4.508 16.587 ( 0.713 3.007 -6.344) 7.056 ======================= Grid point 1541 (752/860) ======================= q-point: (-0.21 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( 0.434 13.141 0.723) 13.168 4.582 ( 8.012 5.024 14.998) 17.730 5.152 ( -0.804 28.338 -0.811) 28.361 5.502 ( -8.589 -5.231 -15.794) 18.724 5.875 ( -0.350 2.344 -1.254) 2.681 7.109 ( -0.037 7.613 1.411) 7.743 7.871 ( 0.270 25.162 -0.603) 25.171 8.629 ( 1.175 9.944 1.438) 10.116 13.719 ( -0.565 -30.856 3.899) 31.106 15.561 ( -0.239 11.118 1.811) 11.268 16.076 ( 0.172 0.925 -0.184) 0.958 16.586 ( 0.637 -8.302 -6.814) 10.759 ======================= Grid point 1542 (753/860) ======================= q-point: (-0.16 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -0.366 16.873 0.315) 16.880 4.503 ( -0.799 12.746 2.029) 12.932 4.602 ( 2.006 31.035 -0.636) 31.106 5.636 ( 0.349 -14.497 -1.122) 14.544 5.820 ( 1.353 3.913 -1.096) 4.283 6.946 ( -0.076 10.175 0.478) 10.186 7.364 ( 0.229 30.571 -0.258) 30.573 8.428 ( 0.698 13.741 -0.051) 13.759 14.332 ( -1.216 -35.338 4.375) 35.628 15.382 ( -0.114 8.149 0.120) 8.151 15.968 ( 0.585 9.315 -2.281) 9.608 16.819 ( 0.001 -18.204 -3.720) 18.580 ======================= Grid point 1543 (754/860) ======================= q-point: (-0.11 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -2.547 15.164 -3.814) 15.843 3.997 ( 0.190 32.615 1.298) 32.642 4.318 ( 3.474 14.128 0.387) 14.554 5.637 ( -0.563 14.427 0.057) 14.438 5.903 ( 7.277 -1.714 2.642) 7.929 6.817 ( -0.707 7.294 2.582) 7.770 6.888 ( 1.884 14.685 -1.763) 14.910 8.165 ( 0.716 15.931 -1.633) 16.030 14.839 ( -1.593 -13.696 2.515) 14.016 15.407 ( -0.494 -18.397 0.761) 18.419 15.783 ( 0.591 10.107 -2.372) 10.398 17.125 ( -0.774 -16.782 -1.663) 16.882 ======================= Grid point 1544 (755/860) ======================= q-point: (-0.05 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -3.821 12.351 -9.312) 15.933 3.465 ( 0.561 27.856 0.962) 27.878 4.109 ( 9.367 17.062 6.631) 20.563 5.212 ( 1.047 33.375 0.006) 33.391 5.775 ( 4.070 20.723 1.942) 21.208 6.611 ( -1.542 4.907 0.184) 5.147 7.078 ( 7.232 -18.015 1.272) 19.454 7.877 ( 1.160 15.768 -2.540) 16.013 14.859 ( -0.719 4.543 0.892) 4.685 15.613 ( -0.014 8.105 0.481) 8.119 15.972 ( -1.955 -38.996 -1.093) 39.060 17.349 ( -1.925 -9.420 0.732) 9.643 ======================= Grid point 1550 (756/860) ======================= q-point: ( 0.26 0.26 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 2.653 -0.000 -3.151) 4.119 1.904 ( 10.485 -0.000 -9.499) 14.148 2.936 ( -0.245 0.000 1.883) 1.899 3.805 ( 2.404 -0.000 -0.628) 2.485 5.088 ( 33.274 -0.000 11.464) 35.193 6.308 ( -9.627 0.000 -12.643) 15.891 7.167 ( 3.555 -0.000 -1.739) 3.958 9.481 ( 7.138 -0.000 14.219) 15.910 14.038 ( 1.546 -0.000 2.578) 3.005 15.604 ( -4.330 0.000 2.489) 4.994 16.164 ( 1.175 -0.000 -4.515) 4.665 17.970 ( -8.955 0.000 -6.740) 11.208 ======================= Grid point 1551 (757/860) ======================= q-point: ( 0.32 0.26 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 10.396 -0.235 -6.807) 12.429 2.193 ( 3.529 -30.400 -3.747) 30.832 2.914 ( -0.513 1.621 2.915) 3.375 3.964 ( 1.814 -15.265 -0.095) 15.372 5.449 ( 27.571 -6.864 8.599) 29.685 6.174 ( -5.118 2.371 -8.272) 10.012 7.163 ( 5.338 2.587 -3.368) 6.822 9.478 ( 4.561 11.507 10.536) 16.255 14.161 ( 0.567 -10.150 2.932) 10.580 15.556 ( -2.730 2.226 3.593) 5.032 16.322 ( -1.051 -16.734 -3.146) 17.060 17.764 ( -8.738 10.853 -6.973) 15.581 ======================= Grid point 1552 (758/860) ======================= q-point: ( 0.37 0.26 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 10.579 -2.468 -2.474) 11.141 2.734 ( 5.563 -15.262 -4.337) 16.814 3.085 ( -1.969 -31.955 5.012) 32.406 4.332 ( 1.077 -23.862 0.586) 23.893 5.798 ( 6.943 -10.484 -2.962) 12.919 6.108 ( 12.850 3.952 4.337) 14.126 7.156 ( 6.466 0.752 -4.546) 7.940 9.286 ( 3.321 17.102 5.223) 18.187 14.383 ( -0.545 -12.586 2.410) 12.826 15.537 ( -1.573 0.169 5.075) 5.316 16.596 ( -2.506 -13.262 -1.563) 13.587 17.424 ( -8.890 13.736 -4.325) 16.924 ======================= Grid point 1553 (759/860) ======================= q-point: ( 0.42 0.26 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 10.333 -7.172 3.615) 13.087 2.924 ( 3.172 -10.700 0.483) 11.171 3.880 ( 0.971 -49.024 1.202) 49.048 4.801 ( 0.996 -27.132 0.780) 27.161 5.819 ( -9.272 -1.913 -10.313) 14.000 6.324 ( 23.891 -0.772 9.641) 25.774 7.232 ( 6.973 -6.057 -2.641) 9.607 8.998 ( 1.933 19.458 1.763) 19.633 14.596 ( -0.810 -10.558 1.483) 10.693 15.571 ( -0.783 -2.385 5.491) 6.038 16.541 ( -1.824 17.450 -5.131) 18.280 17.264 ( -8.433 -5.469 3.454) 10.628 ======================= Grid point 1554 (760/860) ======================= q-point: ( 0.47 0.26 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 9.259 -7.094 8.229) 14.275 3.252 ( 2.497 -23.930 2.030) 24.145 4.753 ( 2.694 -46.165 0.785) 46.250 5.283 ( 2.002 -24.338 -0.838) 24.435 5.723 ( -8.617 -2.319 -7.193) 11.462 6.493 ( 14.473 2.634 3.237) 15.063 7.476 ( 8.470 -13.864 1.823) 16.348 8.652 ( 0.217 21.097 -0.035) 21.099 14.724 ( -0.807 -2.613 -0.110) 2.737 15.659 ( 0.093 -5.105 4.674) 6.922 16.093 ( -1.858 23.979 -3.331) 24.280 17.349 ( -5.539 -4.712 6.020) 9.440 ======================= Grid point 1555 (761/860) ======================= q-point: ( 0.53 0.26 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 7.285 -5.405 9.286) 12.982 3.813 ( 2.731 -34.114 3.997) 34.456 5.421 ( 4.464 -5.122 -6.542) 9.432 5.537 ( -0.580 -23.789 0.405) 23.800 5.929 ( -4.003 -28.998 -0.853) 29.285 6.560 ( 6.296 -2.502 1.148) 6.871 7.816 ( 7.665 -13.223 2.592) 15.502 8.267 ( -1.125 20.467 -0.273) 20.500 14.592 ( -1.079 17.013 -3.827) 17.471 15.733 ( 0.840 5.581 2.458) 6.156 15.830 ( -0.886 -4.074 2.575) 4.901 17.349 ( -3.272 4.215 6.341) 8.288 ======================= Grid point 1556 (762/860) ======================= q-point: ( 0.58 0.26 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 5.360 -6.363 8.737) 12.064 4.479 ( 3.533 -34.199 4.746) 34.707 5.312 ( -0.538 6.090 -6.125) 8.654 5.922 ( 6.173 -9.345 1.209) 11.265 6.346 ( -3.402 -18.690 -1.595) 19.064 6.864 ( 1.228 -28.801 2.646) 28.948 7.725 ( -3.103 22.449 -5.201) 23.251 8.247 ( 6.062 -11.819 5.303) 14.302 14.129 ( -1.147 28.661 -5.350) 29.179 15.718 ( 0.597 -1.209 6.203) 6.347 15.972 ( 0.493 -8.122 -0.651) 8.163 17.212 ( -1.827 11.630 6.115) 13.266 ======================= Grid point 1557 (763/860) ======================= q-point: ( 0.63 0.26 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 3.542 -8.722 7.331) 11.931 4.975 ( 7.645 -5.382 0.751) 9.380 5.281 ( -3.696 -14.692 1.019) 15.184 6.012 ( 5.368 2.289 -0.284) 5.843 6.609 ( -3.769 -14.491 0.358) 14.977 7.155 ( -5.433 20.552 -2.940) 21.461 7.521 ( 0.561 -27.496 -2.270) 27.595 8.522 ( 4.764 -10.507 4.300) 12.312 13.600 ( -0.999 25.959 -4.351) 26.340 15.792 ( 0.677 -1.997 7.610) 7.897 16.078 ( 0.490 -4.003 -4.423) 5.986 16.996 ( -0.850 13.558 5.320) 14.589 ======================= Grid point 1558 (764/860) ======================= q-point: ( 0.68 0.26 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 1.762 -10.719 4.925) 11.927 4.930 ( 6.677 9.551 2.469) 11.912 5.615 ( -1.464 -15.197 2.974) 15.554 5.985 ( 3.755 4.130 -0.247) 5.587 6.488 ( -9.664 24.052 -7.623) 27.018 6.955 ( -0.823 -9.353 0.693) 9.415 8.000 ( 0.666 -21.993 -0.505) 22.009 8.719 ( 2.892 -6.063 3.036) 7.372 13.207 ( -0.791 14.692 -2.380) 14.904 15.851 ( 0.317 0.056 7.572) 7.578 16.068 ( 0.119 2.331 -5.700) 6.159 16.802 ( 0.080 9.758 2.534) 10.082 ======================= Grid point 1559 (765/860) ======================= q-point: (-0.26 0.26 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( 0.380 -9.361 1.902) 9.560 4.845 ( 6.279 8.199 6.897) 12.419 5.734 ( -0.696 2.336 0.888) 2.594 5.871 ( -1.402 21.056 -3.978) 21.475 5.978 ( -5.635 6.936 -5.246) 10.363 7.126 ( -0.263 -7.310 1.478) 7.463 8.254 ( 0.470 -5.961 -0.653) 6.015 8.805 ( 1.212 -0.485 1.482) 1.975 13.080 ( -0.586 -2.162 -0.153) 2.245 15.860 ( -0.358 3.139 5.848) 6.647 15.988 ( 0.164 2.272 -3.546) 4.215 16.665 ( 0.629 6.897 -1.523) 7.091 ======================= Grid point 1560 (766/860) ======================= q-point: (-0.21 0.26 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( -0.063 -0.138 0.398) 0.426 4.780 ( -0.547 5.859 0.390) 5.897 5.458 ( -0.028 12.465 -0.896) 12.497 5.567 ( 0.269 17.860 0.773) 17.879 5.910 ( 0.092 2.283 -0.229) 2.297 7.190 ( -0.386 0.659 0.980) 1.243 8.204 ( 0.374 11.469 -0.671) 11.495 8.771 ( 0.079 5.071 -0.169) 5.075 13.272 ( -0.635 -19.300 1.338) 19.357 15.757 ( -0.428 9.502 2.162) 9.754 16.018 ( 0.272 -5.331 -0.216) 5.343 16.550 ( 0.499 4.713 -3.333) 5.794 ======================= Grid point 1561 (767/860) ======================= q-point: (-0.16 0.26 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( -1.566 13.249 -0.670) 13.358 4.613 ( -6.397 4.463 -11.308) 13.737 5.159 ( 0.941 28.351 0.517) 28.371 5.489 ( 9.525 -5.634 12.709) 16.852 5.876 ( 0.990 2.138 0.603) 2.432 7.112 ( -0.562 7.611 0.201) 7.634 7.872 ( 0.442 25.114 -0.489) 25.123 8.634 ( -0.365 9.618 -1.723) 9.778 13.729 ( -1.177 -31.347 1.272) 31.395 15.569 ( -0.261 11.461 0.594) 11.479 16.083 ( 0.938 1.655 -0.304) 1.927 16.547 ( -0.482 -8.287 -1.687) 8.471 ======================= Grid point 1562 (768/860) ======================= q-point: (-0.11 0.26 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( -4.480 17.838 -5.370) 19.160 4.462 ( -0.750 6.707 -4.076) 7.884 4.628 ( 1.787 30.519 -0.706) 30.580 5.749 ( 3.416 -2.303 7.010) 8.131 5.902 ( 9.694 -4.666 6.890) 12.776 6.944 ( -0.236 9.487 -0.229) 9.492 7.367 ( 0.423 30.676 -0.201) 30.679 8.416 ( -0.222 13.214 -3.275) 13.616 14.322 ( -2.115 -35.318 -0.722) 35.389 15.386 ( 0.147 8.136 0.525) 8.154 15.969 ( 0.819 10.012 0.245) 10.048 16.795 ( -1.184 -18.147 0.567) 18.195 ======================= Grid point 1563 (769/860) ======================= q-point: (-0.05 0.26 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -5.253 15.650 -10.007) 19.304 4.026 ( 1.226 33.028 2.433) 33.141 4.416 ( 7.342 6.996 1.619) 10.270 5.652 ( 0.681 14.664 2.612) 14.910 6.097 ( 10.214 5.957 5.417) 13.006 6.830 ( -1.041 16.208 2.409) 16.419 6.927 ( 4.782 1.264 0.124) 4.948 8.144 ( 0.377 15.176 -4.632) 15.872 14.804 ( -2.080 -16.072 -3.556) 16.592 15.407 ( -0.373 -15.983 1.013) 16.019 15.790 ( 0.155 10.679 2.407) 10.948 17.105 ( -2.035 -16.449 2.432) 16.752 ======================= Grid point 1570 (770/860) ======================= q-point: ( 0.32 0.32 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 2.346 -0.000 -3.244) 4.004 2.020 ( 11.462 -0.000 -4.249) 12.224 2.946 ( -0.696 0.000 2.177) 2.286 3.837 ( 2.236 -0.000 -0.636) 2.324 5.580 ( 14.003 -0.000 -1.543) 14.088 6.190 ( 8.560 -0.000 1.780) 8.743 7.220 ( 5.544 -0.000 -2.637) 6.139 9.656 ( -0.501 0.000 11.312) 11.323 14.087 ( 1.392 -0.000 2.795) 3.123 15.569 ( -3.007 0.000 2.926) 4.196 16.139 ( 1.060 -0.000 -4.814) 4.930 17.755 ( -8.262 0.000 -8.672) 11.978 ======================= Grid point 1571 (771/860) ======================= q-point: ( 0.37 0.32 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 9.974 -3.307 -2.356) 10.769 2.224 ( 4.230 -28.296 -2.441) 28.714 2.930 ( -1.118 1.044 3.605) 3.916 3.992 ( 1.757 -14.976 -0.354) 15.083 5.648 ( -0.851 -4.572 -9.746) 10.798 6.339 ( 21.916 0.909 10.834) 24.465 7.228 ( 6.279 2.655 -3.002) 7.449 9.579 ( -2.286 11.273 7.147) 13.542 14.196 ( 0.506 -8.881 2.694) 9.294 15.553 ( -1.914 0.661 3.857) 4.356 16.279 ( -0.626 -15.665 -2.998) 15.962 17.555 ( -7.626 10.130 -8.507) 15.269 ======================= Grid point 1572 (772/860) ======================= q-point: ( 0.42 0.32 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 10.709 -3.712 1.800) 11.476 2.797 ( 5.173 -15.902 -1.040) 16.754 3.086 ( -2.908 -32.537 3.694) 32.875 4.354 ( 1.248 -23.777 0.093) 23.810 5.643 ( -6.416 -4.022 -10.972) 13.331 6.580 ( 24.284 0.779 11.658) 26.949 7.227 ( 5.959 0.527 -2.481) 6.477 9.328 ( -2.203 16.578 2.292) 16.880 14.395 ( -0.397 -11.632 1.900) 11.793 15.561 ( -1.066 -0.794 4.658) 4.844 16.555 ( -1.469 -13.071 -0.015) 13.153 17.237 ( -7.570 11.832 -6.570) 15.507 ======================= Grid point 1573 (773/860) ======================= q-point: ( 0.47 0.32 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 9.819 -8.605 6.652) 14.653 2.979 ( 1.756 -10.092 2.356) 10.511 3.901 ( 0.589 -50.539 0.552) 50.545 4.823 ( 1.262 -27.363 0.186) 27.392 5.591 ( -7.125 -1.851 -9.498) 12.017 6.736 ( 17.286 6.821 5.337) 19.335 7.347 ( 7.477 -9.097 2.186) 11.976 8.997 ( -2.315 18.995 -0.584) 19.145 14.596 ( -0.615 -10.076 1.043) 10.149 15.609 ( -0.363 -2.950 4.545) 5.430 16.479 ( -1.102 19.851 -3.111) 20.124 17.161 ( -6.398 -11.052 1.075) 12.816 ======================= Grid point 1574 (774/860) ======================= q-point: ( 0.53 0.32 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 7.598 -6.156 9.133) 13.381 3.308 ( 1.439 -25.315 2.851) 25.516 4.798 ( 1.955 -48.350 0.474) 48.392 5.306 ( 2.836 -22.532 -2.408) 22.837 5.525 ( -8.034 -4.857 -5.528) 10.895 6.702 ( 8.826 8.724 0.763) 12.433 7.651 ( 8.440 -14.219 4.996) 17.273 8.617 ( -2.910 20.912 -1.887) 21.197 14.710 ( -0.599 -1.225 -0.291) 1.395 15.702 ( 0.404 -5.327 3.521) 6.398 16.043 ( -1.223 22.223 -1.941) 22.341 17.321 ( -3.559 -7.233 3.973) 8.987 ======================= Grid point 1575 (775/860) ======================= q-point: ( 0.58 0.32 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 4.839 -4.292 7.983) 10.275 3.892 ( 1.892 -35.515 4.303) 35.825 5.354 ( -1.910 3.456 -7.435) 8.418 5.590 ( 3.827 -35.293 1.144) 35.518 5.866 ( -3.000 -29.089 -0.404) 29.246 6.647 ( 3.304 0.678 0.592) 3.424 7.959 ( 6.065 -5.077 3.495) 8.647 8.223 ( -2.927 14.304 -1.546) 14.682 14.547 ( -0.675 19.034 -2.715) 19.238 15.765 ( 0.281 5.375 2.314) 5.859 15.841 ( 0.032 -6.353 1.317) 6.488 17.358 ( -1.619 2.925 4.309) 5.454 ======================= Grid point 1576 (776/860) ======================= q-point: ( 0.63 0.32 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 2.815 -5.674 5.942) 8.684 4.575 ( 2.116 -36.102 4.631) 36.459 5.229 ( -2.319 4.910 -5.051) 7.416 6.032 ( 5.468 -8.587 0.026) 10.180 6.273 ( -3.643 -19.813 -0.754) 20.159 6.902 ( 0.588 -28.100 2.126) 28.187 7.636 ( -2.574 27.185 -2.910) 27.461 8.359 ( 2.993 -13.175 2.667) 13.771 14.075 ( -0.649 29.170 -3.125) 29.344 15.778 ( 0.163 -3.006 5.203) 6.012 15.968 ( 0.559 -6.496 -1.933) 6.801 17.240 ( -0.403 11.014 3.766) 11.647 ======================= Grid point 1577 (777/860) ======================= q-point: (-0.32 -0.68 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 1.229 -8.060 3.421) 8.842 5.086 ( 2.776 4.516 -0.741) 5.352 5.213 ( -3.327 -28.285 2.086) 28.556 6.068 ( 1.235 2.951 -1.102) 3.383 6.571 ( -0.474 -13.203 0.480) 13.220 7.072 ( -2.657 26.693 0.268) 26.826 7.511 ( 0.228 -31.666 -1.381) 31.697 8.599 ( 1.314 -10.448 1.367) 10.619 13.558 ( -0.547 25.839 -1.926) 25.917 15.867 ( 0.125 -2.807 6.728) 7.291 16.037 ( 0.093 -2.445 -5.134) 5.687 17.030 ( 0.518 13.468 2.494) 13.707 ======================= Grid point 1578 (778/860) ======================= q-point: (-0.26 -0.68 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( 0.231 -10.036 0.834) 10.073 4.974 ( -2.705 5.483 -1.573) 6.313 5.624 ( -0.278 -15.146 2.176) 15.304 6.002 ( -1.851 3.304 -1.640) 4.127 6.384 ( 2.477 30.370 1.737) 30.520 6.952 ( -0.768 -11.020 1.151) 11.106 8.001 ( 0.255 -22.086 -0.714) 22.099 8.753 ( -0.405 -6.048 -0.196) 6.065 13.184 ( -0.417 14.244 -0.289) 14.253 15.921 ( -0.264 0.578 7.007) 7.035 16.009 ( -0.394 1.814 -6.132) 6.407 16.826 ( 1.252 10.789 0.259) 10.864 ======================= Grid point 1579 (779/860) ======================= q-point: (-0.21 0.32 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( 0.336 -9.187 -0.389) 9.201 4.804 ( -9.533 6.860 -8.921) 14.749 5.725 ( -1.203 4.833 1.810) 5.299 5.856 ( 0.985 12.656 1.290) 12.759 6.017 ( 7.553 13.358 7.992) 17.302 7.129 ( -0.554 -7.351 0.535) 7.391 8.253 ( 0.234 -6.018 -0.806) 6.076 8.801 ( -1.589 -0.711 -1.790) 2.497 13.075 ( -0.407 -2.503 0.909) 2.694 15.894 ( -0.650 5.291 2.098) 5.729 15.958 ( -0.292 -0.483 -1.569) 1.668 16.668 ( 1.316 8.273 -1.141) 8.454 ======================= Grid point 1580 (780/860) ======================= q-point: (-0.16 0.32 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( 0.411 0.992 0.946) 1.431 4.504 ( -13.601 5.067 -19.935) 24.659 5.562 ( 0.425 15.192 3.074) 15.506 5.712 ( 9.568 9.282 12.412) 18.214 5.956 ( 4.958 5.273 6.820) 9.945 7.183 ( -0.893 0.752 -0.186) 1.182 8.204 ( 0.346 11.281 -0.690) 11.307 8.739 ( -1.989 4.478 -3.268) 5.889 13.270 ( -0.806 -19.024 0.713) 19.054 15.757 ( -0.550 9.554 -0.462) 9.581 16.020 ( 0.323 -6.244 -0.308) 6.259 16.544 ( 0.425 5.846 0.413) 5.876 ======================= Grid point 1581 (781/860) ======================= q-point: (-0.11 0.32 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( -4.663 17.974 -3.393) 18.876 4.363 ( -4.535 -7.160 -15.646) 17.794 5.184 ( 1.000 27.769 2.017) 27.861 5.792 ( 4.853 -0.829 8.537) 9.855 5.996 ( 11.526 0.887 14.414) 18.478 7.095 ( -1.046 7.448 -0.789) 7.562 7.876 ( 0.569 24.892 -0.404) 24.902 8.587 ( -1.676 8.811 -4.676) 10.115 13.705 ( -1.697 -30.340 -1.330) 30.417 15.564 ( -0.122 10.841 -0.770) 10.869 16.100 ( 1.498 1.187 -0.365) 1.945 16.540 ( -1.440 -7.474 3.539) 8.394 ======================= Grid point 1582 (782/860) ======================= q-point: (-0.05 0.32 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -6.329 19.251 -8.849) 22.113 4.449 ( 4.508 -5.494 -4.376) 8.345 4.660 ( 1.551 32.511 2.044) 32.612 5.813 ( 0.723 3.291 3.037) 4.536 6.244 ( 15.068 -3.801 15.535) 21.973 6.940 ( 0.127 6.804 0.158) 6.807 7.373 ( 0.565 30.929 -0.196) 30.935 8.362 ( -0.893 12.303 -6.105) 13.764 14.253 ( -2.722 -33.838 -5.190) 34.342 15.398 ( 0.494 6.943 1.201) 7.063 15.996 ( 0.935 10.117 2.213) 10.398 16.791 ( -2.152 -17.697 4.468) 18.379 ======================= Grid point 1590 (783/860) ======================= q-point: ( 0.37 0.37 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 1.588 -0.000 -2.686) 3.120 2.187 ( 11.252 -0.000 -0.767) 11.279 2.957 ( -1.410 0.000 3.880) 4.129 3.865 ( 1.962 -0.000 -0.770) 2.107 5.545 ( -2.724 0.000 -11.098) 11.427 6.585 ( 23.104 -0.000 12.326) 26.186 7.298 ( 6.608 -0.000 -2.099) 6.933 9.678 ( -6.720 0.000 6.756) 9.529 14.133 ( 1.075 -0.000 2.744) 2.947 15.560 ( -1.755 0.000 3.258) 3.701 16.110 ( 0.849 -0.000 -4.612) 4.689 17.548 ( -6.693 0.000 -8.981) 11.200 ======================= Grid point 1591 (784/860) ======================= q-point: ( 0.42 0.37 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 4.026 -21.817 -0.991) 22.208 2.310 ( 7.830 -11.811 -0.378) 14.176 2.947 ( -1.734 1.051 5.224) 5.604 4.015 ( 1.563 -14.825 -0.594) 14.919 5.492 ( -3.732 -2.418 -10.623) 11.516 6.831 ( 21.919 -0.463 12.057) 25.021 7.308 ( 6.017 3.553 -1.739) 7.200 9.546 ( -7.003 10.147 3.155) 12.727 14.227 ( 0.363 -7.726 2.309) 8.072 15.564 ( -1.068 -0.191 3.608) 3.767 16.246 ( -0.273 -15.612 -2.376) 15.794 17.365 ( -5.782 9.969 -8.393) 14.257 ======================= Grid point 1592 (785/860) ======================= q-point: ( 0.47 0.37 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 8.327 -5.629 3.062) 10.507 2.880 ( 4.489 -15.345 1.760) 16.085 3.059 ( -4.068 -33.734 2.896) 34.102 4.374 ( 1.144 -23.832 -0.189) 23.860 5.459 ( -4.214 -2.473 -9.315) 10.519 7.032 ( 18.373 5.262 8.477) 20.907 7.299 ( 4.278 -1.964 0.295) 4.717 9.271 ( -5.273 15.363 -0.218) 16.244 14.405 ( -0.282 -10.837 1.430) 10.934 15.587 ( -0.465 -1.394 3.568) 3.859 16.550 ( -0.280 -14.383 1.876) 14.508 17.062 ( -5.623 11.497 -7.600) 14.885 ======================= Grid point 1593 (786/860) ======================= q-point: ( 0.53 0.37 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 6.870 -10.563 5.960) 13.939 3.021 ( -0.285 -8.876 3.809) 9.663 3.911 ( 0.192 -51.972 0.165) 51.972 4.844 ( 0.989 -27.717 0.087) 27.735 5.417 ( -4.161 -0.984 -7.566) 8.691 6.973 ( 7.996 12.773 1.437) 15.138 7.508 ( 7.279 -11.760 4.987) 14.702 8.930 ( -3.852 18.400 -1.750) 18.880 14.596 ( -0.379 -9.663 0.691) 9.695 15.643 ( 0.129 -3.379 2.989) 4.513 16.445 ( -0.546 22.534 -1.400) 22.584 17.083 ( -3.512 -16.258 -0.206) 16.634 ======================= Grid point 1594 (787/860) ======================= q-point: ( 0.58 0.37 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 3.877 -5.009 6.230) 8.884 3.347 ( -0.352 -27.182 3.269) 27.380 4.824 ( 0.902 -49.929 0.098) 49.937 5.334 ( 4.090 -13.008 -4.556) 14.377 5.368 ( -6.797 -13.828 -0.837) 15.431 6.799 ( 2.605 11.129 0.125) 11.431 7.816 ( 5.487 -14.085 4.153) 15.676 8.542 ( -3.140 21.274 -1.998) 21.597 14.700 ( -0.235 -0.207 -0.269) 0.413 15.736 ( 0.671 -5.451 1.829) 5.789 16.015 ( -0.737 21.080 -0.721) 21.105 17.311 ( -1.038 -8.994 2.158) 9.308 ======================= Grid point 1595 (788/860) ======================= q-point: (-0.37 -0.63 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 1.227 -3.806 3.811) 5.524 3.941 ( -0.648 -36.735 3.283) 36.887 5.268 ( -1.745 3.452 -3.309) 5.090 5.643 ( 1.467 -39.116 -0.305) 39.145 5.831 ( -0.576 -25.878 -0.002) 25.884 6.676 ( -0.379 1.164 0.519) 1.329 8.073 ( 3.595 14.182 2.892) 14.914 8.151 ( -3.231 -3.590 -2.040) 5.243 14.521 ( -0.160 20.199 -1.350) 20.245 15.783 ( -0.388 4.141 1.726) 4.503 15.854 ( 0.797 -6.349 -0.045) 6.399 17.378 ( 0.376 2.268 2.054) 3.083 ======================= Grid point 1596 (789/860) ======================= q-point: (-0.32 -0.63 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( -0.460 -5.608 1.041) 5.722 4.606 ( -2.632 -36.960 1.842) 37.100 5.175 ( -0.437 4.700 -0.321) 4.731 6.054 ( -2.149 -6.904 -2.136) 7.539 6.255 ( 1.858 -21.508 1.054) 21.614 6.917 ( -0.626 -29.089 0.820) 29.107 7.599 ( -0.424 29.394 0.547) 29.402 8.390 ( -0.535 -13.568 -0.322) 13.583 14.050 ( -0.162 29.471 -0.761) 29.481 15.816 ( -0.327 -4.606 2.728) 5.363 15.957 ( 0.516 -4.718 -1.975) 5.140 17.269 ( 1.221 10.818 1.044) 10.936 ======================= Grid point 1597 (790/860) ======================= q-point: (-0.26 -0.63 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -1.494 -8.344 -1.694) 8.645 4.994 ( -8.506 -1.701 -1.800) 8.859 5.267 ( 2.978 -21.839 2.916) 22.233 6.028 ( -3.452 2.540 -1.855) 4.670 6.606 ( 3.285 -14.445 0.602) 14.826 7.080 ( 1.120 28.902 4.254) 29.235 7.502 ( -0.269 -32.934 -0.541) 32.939 8.588 ( -2.299 -10.564 -1.969) 10.989 13.546 ( -0.117 25.828 0.680) 25.838 15.907 ( -0.554 -4.055 0.920) 4.195 15.999 ( -0.223 -0.711 -1.098) 1.327 17.059 ( 1.950 13.547 -0.599) 13.700 ======================= Grid point 1598 (791/860) ======================= q-point: (-0.21 -0.63 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( -1.407 -11.254 -3.527) 11.877 4.829 ( -10.075 8.442 -4.365) 13.850 5.632 ( -1.101 -13.820 1.045) 13.903 5.939 ( -2.143 3.356 -1.732) 4.343 6.557 ( 9.781 25.760 9.427) 29.122 6.950 ( -0.881 -11.165 1.258) 11.270 7.995 ( -0.140 -22.228 -0.854) 22.245 8.703 ( -3.519 -6.434 -3.507) 8.129 13.188 ( -0.062 14.303 1.938) 14.434 15.923 ( -0.857 0.195 -6.300) 6.361 15.990 ( -0.846 2.073 6.019) 6.422 16.847 ( 2.408 11.214 -2.082) 11.658 ======================= Grid point 1599 (792/860) ======================= q-point: (-0.16 0.37 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.496 ( 0.328 -12.114 -2.873) 12.454 4.484 ( -14.332 14.254 -12.491) 23.761 5.729 ( -1.271 1.358 2.843) 3.397 5.870 ( 0.732 3.569 -0.784) 3.727 6.318 ( 12.345 17.611 16.399) 27.046 7.119 ( -0.831 -6.886 -0.225) 6.940 8.247 ( 0.014 -6.299 -0.959) 6.371 8.723 ( -3.917 -1.494 -4.792) 6.367 13.083 ( -0.252 -1.821 1.989) 2.709 15.865 ( -0.698 3.006 -4.803) 5.709 15.964 ( -0.880 1.278 3.726) 4.036 16.686 ( 1.944 8.463 -0.970) 8.737 ======================= Grid point 1600 (793/860) ======================= q-point: (-0.11 0.37 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.620 ( -0.352 5.426 1.293) 5.589 4.103 ( -10.878 -0.419 -19.794) 22.590 5.596 ( 0.705 15.755 2.766) 16.012 5.837 ( 0.826 0.562 2.147) 2.368 6.275 ( 13.738 8.830 19.709) 25.595 7.159 ( -1.270 1.006 -0.972) 1.889 8.202 ( 0.282 10.855 -0.748) 10.884 8.650 ( -3.437 3.390 -5.839) 7.576 13.259 ( -0.948 -17.435 0.104) 17.461 15.734 ( -0.488 8.803 -2.415) 9.142 16.023 ( 0.277 -6.738 -0.133) 6.745 16.568 ( 0.356 6.092 3.186) 6.884 ======================= Grid point 1601 (794/860) ======================= q-point: (-0.05 0.37 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( -7.167 22.093 -6.518) 24.124 4.227 ( 2.588 -17.016 -10.047) 19.929 5.231 ( 1.495 27.272 3.703) 27.563 5.853 ( 0.288 0.048 2.252) 2.271 6.415 ( 15.192 0.023 20.306) 25.360 7.066 ( -1.339 6.995 -1.172) 7.217 7.882 ( 0.563 24.533 -0.398) 24.543 8.498 ( -2.374 7.748 -6.919) 10.656 13.651 ( -2.027 -28.094 -3.555) 28.391 15.556 ( 0.213 9.414 -0.921) 9.461 16.121 ( 1.750 -0.272 -0.899) 1.986 16.564 ( -2.131 -6.131 7.583) 9.982 ======================= Grid point 1610 (795/860) ======================= q-point: ( 0.42 0.42 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.451 -0.000 -1.580) 1.643 2.349 ( 8.373 -0.000 -0.242) 8.376 2.976 ( -1.952 0.000 6.171) 6.472 3.886 ( 1.615 -0.000 -0.993) 1.896 5.400 ( -2.204 0.000 -9.698) 9.945 7.033 ( 16.787 -0.000 9.817) 19.447 7.401 ( 7.389 -0.000 0.550) 7.410 9.582 ( -9.232 0.000 2.330) 9.522 14.172 ( 0.630 -0.000 2.390) 2.472 15.570 ( -0.734 0.000 3.095) 3.181 16.082 ( 0.569 -0.000 -3.888) 3.929 17.376 ( -4.617 0.000 -7.595) 8.889 ======================= Grid point 1611 (796/860) ======================= q-point: ( 0.47 0.42 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 0.733 -31.799 0.163) 31.808 2.424 ( 5.465 -4.084 -0.622) 6.850 2.974 ( -1.903 1.285 6.762) 7.141 4.031 ( 1.221 -14.779 -0.835) 14.853 5.358 ( -1.654 -1.468 -8.316) 8.605 7.212 ( 11.358 -3.245 6.936) 13.698 7.402 ( 6.615 7.404 1.958) 10.119 9.437 ( -7.157 8.757 0.244) 11.312 14.250 ( 0.115 -6.864 1.797) 7.097 15.583 ( -0.285 -0.469 2.703) 2.758 16.226 ( 0.057 -16.520 -1.549) 16.593 17.217 ( -3.575 10.289 -6.521) 12.695 ======================= Grid point 1612 (797/860) ======================= q-point: ( 0.53 0.42 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 3.656 -7.373 2.044) 8.479 2.968 ( 2.740 -9.787 3.577) 10.774 3.010 ( -4.535 -39.724 2.041) 40.034 4.386 ( 0.661 -23.938 -0.364) 23.950 5.339 ( -1.314 -1.476 -6.495) 6.789 7.268 ( 3.247 12.890 1.672) 13.398 7.407 ( 6.525 -7.709 4.361) 11.002 9.183 ( -3.702 14.336 -0.894) 14.834 14.413 ( -0.235 -10.314 1.013) 10.367 15.611 ( 0.173 -1.697 2.004) 2.632 16.581 ( 1.099 -18.309 3.188) 18.617 16.919 ( -3.415 13.958 -6.830) 15.910 ======================= Grid point 1613 (798/860) ======================= q-point: (-0.42 -0.58 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 1.799 -12.814 2.182) 13.123 3.037 ( -2.599 -7.480 4.497) 9.107 3.912 ( -0.168 -52.734 0.137) 52.734 4.852 ( -0.255 -27.839 0.199) 27.841 5.324 ( -0.178 -0.355 -4.246) 4.264 7.039 ( -0.723 14.078 0.855) 14.122 7.631 ( 2.412 -11.741 1.874) 12.132 8.870 ( -1.255 18.373 -0.554) 18.424 14.597 ( -0.132 -9.441 0.443) 9.452 15.668 ( 0.649 -3.607 1.089) 3.823 16.431 ( -0.240 24.702 -0.295) 24.705 17.050 ( 0.025 -19.943 -0.406) 19.947 ======================= Grid point 1614 (799/860) ======================= q-point: (-0.37 -0.58 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -0.792 -4.624 0.795) 4.758 3.350 ( -3.086 -28.289 2.993) 28.613 4.828 ( -0.379 -50.300 -0.211) 50.302 5.264 ( -4.435 -6.799 0.731) 8.151 5.388 ( 4.903 -19.684 -1.614) 20.349 6.794 ( -3.381 11.176 0.523) 11.687 7.871 ( -1.466 -14.368 -0.894) 14.470 8.510 ( 0.554 21.955 0.891) 21.980 14.698 ( 0.188 0.274 -0.080) 0.342 15.757 ( 0.880 -5.279 -0.165) 5.354 16.005 ( -0.361 20.479 0.357) 20.486 17.329 ( 1.821 -9.610 0.435) 9.791 ======================= Grid point 1615 (800/860) ======================= q-point: (-0.32 -0.58 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -2.768 -4.000 -1.659) 5.139 3.923 ( -4.081 -36.827 1.309) 37.076 5.245 ( -0.890 2.626 2.691) 3.864 5.627 ( -1.132 -37.243 -2.413) 37.338 5.853 ( 2.223 -26.133 0.874) 26.242 6.646 ( -3.869 -0.298 0.627) 3.931 8.028 ( -5.954 6.191 -3.055) 9.117 8.180 ( 3.455 4.289 2.530) 6.060 14.517 ( 0.343 20.634 0.147) 20.638 15.784 ( -0.854 2.828 0.653) 3.025 15.865 ( 1.239 -5.135 -1.123) 5.400 17.409 ( 2.534 2.424 -0.436) 3.534 ======================= Grid point 1616 (801/860) ======================= q-point: (-0.26 -0.58 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( -3.964 -6.148 -4.245) 8.457 4.532 ( -6.210 -34.204 -0.464) 34.767 5.200 ( 0.066 3.034 4.428) 5.368 5.968 ( -3.837 -7.296 -3.203) 8.844 6.313 ( 2.712 -20.558 1.653) 20.802 6.898 ( -1.790 -30.417 -0.472) 30.474 7.628 ( 0.871 27.084 3.949) 27.385 8.338 ( -3.679 -12.763 -3.379) 13.705 14.056 ( 0.280 29.549 1.683) 29.598 15.813 ( -0.783 -4.689 -1.503) 4.985 15.954 ( 0.434 -4.145 -0.256) 4.176 17.299 ( 2.870 11.101 -1.946) 11.630 ======================= Grid point 1617 (802/860) ======================= q-point: (-0.21 -0.58 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( -4.150 -9.634 -6.209) 12.190 4.838 ( -9.107 -2.525 0.346) 9.457 5.306 ( -1.040 -17.028 1.075) 17.093 5.957 ( -2.135 1.306 -2.175) 3.316 6.660 ( 2.174 -16.143 0.642) 16.301 7.177 ( 3.838 25.505 6.709) 26.651 7.493 ( -0.724 -31.767 0.536) 31.779 8.491 ( -5.345 -10.810 -5.103) 13.094 13.567 ( 0.283 25.897 3.333) 26.112 15.860 ( -1.038 -2.769 -6.404) 7.054 16.016 ( -0.608 -1.754 4.511) 4.879 17.081 ( 3.291 13.759 -3.819) 14.653 ======================= Grid point 1618 (803/860) ======================= q-point: (-0.16 -0.58 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( -2.777 -14.029 -6.905) 15.881 4.612 ( -11.348 14.703 -2.877) 18.794 5.601 ( -3.242 -14.184 0.195) 14.551 5.913 ( 0.662 1.749 -1.753) 2.563 6.823 ( 9.910 18.528 10.772) 23.612 6.948 ( -1.218 -9.191 2.392) 9.575 7.981 ( -0.523 -22.424 -1.083) 22.457 8.580 ( -5.725 -7.195 -6.128) 11.050 13.218 ( 0.251 14.882 4.090) 15.436 15.839 ( -1.181 -0.336 -7.464) 7.564 16.032 ( -1.343 2.322 6.243) 6.795 16.864 ( 3.396 11.056 -4.533) 12.422 ======================= Grid point 1619 (804/860) ======================= q-point: (-0.11 -0.58 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( 0.379 -17.638 -5.580) 18.504 4.160 ( -12.735 21.056 -8.071) 25.898 5.732 ( -1.671 -2.325 2.775) 3.987 5.874 ( 1.209 3.012 -1.456) 3.557 6.668 ( 10.770 13.814 16.403) 23.998 7.100 ( -0.951 -6.039 -0.435) 6.129 8.235 ( -0.232 -6.798 -1.214) 6.909 8.593 ( -5.079 -2.633 -6.666) 8.785 13.103 ( -0.142 -0.170 2.906) 2.914 15.801 ( -0.852 0.790 -5.528) 5.649 15.984 ( -1.058 2.853 3.698) 4.789 16.710 ( 2.340 7.685 -1.490) 8.170 ======================= Grid point 1620 (805/860) ======================= q-point: (-0.05 0.42 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.574 ( -6.626 21.834 -2.283) 22.932 3.849 ( -0.074 -19.615 -11.542) 22.758 5.638 ( 1.121 14.601 3.005) 14.949 5.854 ( -0.182 -0.589 1.102) 1.263 6.669 ( 11.844 5.505 17.912) 22.168 7.127 ( -1.420 1.469 -1.094) 2.317 8.198 ( 0.076 10.237 -0.921) 10.279 8.529 ( -3.616 2.203 -6.967) 8.153 13.241 ( -1.044 -14.782 -0.496) 14.827 15.702 ( -0.267 7.331 -2.621) 7.790 16.026 ( 0.243 -6.824 -0.009) 6.829 16.609 ( 0.217 5.483 4.193) 6.906 ======================= Grid point 1630 (806/860) ======================= q-point: ( 0.47 0.47 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -0.958 0.000 -0.040) 0.959 2.439 ( 3.072 -0.000 -0.845) 3.186 3.005 ( -2.266 0.000 7.091) 7.444 3.899 ( 1.233 -0.000 -1.275) 1.774 5.302 ( -0.167 0.000 -6.964) 6.966 7.260 ( 4.200 -0.000 2.962) 5.139 7.554 ( 6.388 -0.000 4.560) 7.848 9.462 ( -5.291 0.000 0.097) 5.292 14.197 ( 0.108 -0.000 1.742) 1.746 15.590 ( 0.075 -0.000 2.138) 2.139 16.058 ( 0.247 -0.000 -2.689) 2.701 17.261 ( -2.336 0.000 -4.695) 5.244 ======================= Grid point 1631 (807/860) ======================= q-point: (-0.47 -0.53 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -1.299 -35.081 1.296) 35.129 2.462 ( 0.051 -2.271 -0.829) 2.418 3.003 ( -2.274 1.234 6.143) 6.666 4.038 ( 0.779 -14.727 -1.084) 14.788 5.286 ( 0.618 -1.033 -5.145) 5.284 7.317 ( -0.366 -3.016 1.630) 3.448 7.527 ( 1.577 7.962 2.822) 8.594 9.363 ( -0.698 8.219 0.048) 8.249 14.263 ( -0.214 -6.414 1.164) 6.523 15.602 ( 0.412 -0.449 1.219) 1.363 16.219 ( 0.432 -18.013 -0.959) 18.044 17.132 ( -1.263 10.794 -2.958) 11.263 ======================= Grid point 1632 (808/860) ======================= q-point: (-0.42 -0.53 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -2.152 -8.101 0.016) 8.382 2.940 ( -6.933 -25.663 4.101) 26.898 3.039 ( 2.550 -24.385 1.304) 24.553 4.387 ( -0.034 -23.839 -0.508) 23.845 5.298 ( 1.662 -1.307 -2.681) 3.414 7.258 ( -5.449 11.214 2.433) 12.703 7.472 ( -1.845 -5.790 -1.688) 6.307 9.166 ( 2.228 14.785 0.698) 14.969 14.417 ( -0.245 -10.165 0.643) 10.188 15.630 ( 0.809 -1.803 0.234) 1.990 16.631 ( 2.032 -25.460 0.406) 25.544 16.840 ( -0.502 19.932 -1.357) 19.984 ======================= Grid point 1633 (809/860) ======================= q-point: (-0.37 -0.53 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -4.124 -13.932 -2.582) 14.758 3.017 ( -4.949 -7.309 4.315) 9.825 3.908 ( -0.543 -52.411 0.396) 52.415 4.839 ( -1.479 -26.931 0.334) 26.973 5.336 ( 3.921 -1.321 0.124) 4.139 6.977 ( -7.840 13.478 1.033) 15.627 7.598 ( -5.370 -11.987 -3.473) 13.586 8.892 ( 2.863 19.082 1.840) 19.383 14.600 ( 0.079 -9.484 0.286) 9.489 15.684 ( 1.162 -3.576 -0.925) 3.872 16.429 ( -0.088 25.108 0.355) 25.111 17.080 ( 3.923 -20.658 -0.102) 21.028 ======================= Grid point 1634 (810/860) ======================= q-point: (-0.32 -0.53 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -5.690 -5.749 -5.181) 9.605 3.305 ( -5.518 -27.674 2.982) 28.375 4.808 ( -1.779 -48.961 -0.266) 48.994 5.229 ( -2.476 -13.092 3.401) 13.751 5.474 ( 6.434 -14.096 0.470) 15.502 6.703 ( -8.284 9.465 0.563) 12.591 7.758 ( -8.027 -14.106 -5.055) 16.999 8.566 ( 2.949 21.390 2.977) 21.797 14.705 ( 0.517 0.160 0.191) 0.574 15.761 ( 1.011 -4.670 -2.181) 5.252 16.010 ( 0.051 20.286 1.404) 20.335 17.378 ( 4.775 -8.869 -1.491) 10.182 ======================= Grid point 1635 (811/860) ======================= q-point: (-0.26 -0.53 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( -6.746 -4.900 -6.565) 10.612 3.846 ( -5.889 -36.019 0.635) 36.503 5.269 ( -2.654 -0.230 7.011) 7.500 5.589 ( 0.774 -31.502 -3.814) 31.742 5.906 ( 2.740 -26.777 1.461) 26.956 6.566 ( -6.389 -3.365 0.441) 7.235 7.878 ( -8.536 -6.211 -3.275) 11.052 8.248 ( 2.161 15.003 1.534) 15.235 14.534 ( 0.714 20.319 1.672) 20.401 15.768 ( -1.123 2.532 -0.603) 2.835 15.874 ( 1.548 -3.842 -1.851) 4.537 17.451 ( 4.622 3.433 -3.201) 6.588 ======================= Grid point 1636 (812/860) ======================= q-point: (-0.21 -0.53 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -6.925 -7.344 -7.735) 12.717 4.424 ( -6.111 -32.516 -0.100) 33.086 5.224 ( -3.640 4.180 5.435) 7.763 5.895 ( -0.654 -7.262 -3.922) 8.280 6.362 ( 1.005 -19.835 2.114) 19.972 6.855 ( -2.305 -32.086 -1.047) 32.185 7.686 ( -0.046 20.510 6.412) 21.489 8.213 ( -5.852 -10.120 -6.291) 13.275 14.091 ( 0.654 29.349 4.149) 29.648 15.767 ( -1.094 -3.036 -4.525) 5.558 15.963 ( 0.363 -5.008 0.494) 5.046 17.325 ( 4.343 11.842 -5.075) 13.596 ======================= Grid point 1637 (813/860) ======================= q-point: (-0.16 -0.53 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -5.682 -11.660 -8.030) 15.255 4.713 ( -7.840 0.516 2.642) 8.289 5.249 ( -5.431 -15.570 -1.312) 16.542 5.927 ( 1.042 -0.095 -2.507) 2.716 6.688 ( 0.340 -16.019 1.306) 16.076 7.302 ( 3.488 11.829 5.589) 13.540 7.492 ( -0.880 -23.205 2.483) 23.354 8.328 ( -7.217 -11.444 -7.170) 15.312 13.617 ( 0.647 26.076 5.910) 26.745 15.773 ( -1.304 -1.800 -7.672) 7.988 16.046 ( -0.940 -2.733 4.340) 5.214 17.094 ( 4.374 14.072 -7.004) 16.316 ======================= Grid point 1638 (814/860) ======================= q-point: (-0.11 -0.53 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( -2.836 -17.167 -7.387) 18.903 4.421 ( -10.247 19.759 -0.203) 22.259 5.537 ( -4.066 -17.055 -0.711) 17.547 5.917 ( 1.953 1.317 -2.325) 3.309 6.939 ( -0.219 -11.421 0.724) 11.446 7.072 ( 5.807 16.459 11.310) 20.797 7.956 ( -0.938 -22.737 -1.655) 22.816 8.417 ( -6.158 -8.293 -6.651) 12.285 13.271 ( 0.503 16.026 5.978) 17.112 15.750 ( -1.301 -1.259 -7.059) 7.287 16.062 ( -1.693 2.650 5.410) 6.258 16.872 ( 4.076 10.482 -7.057) 13.277 ======================= Grid point 1639 (815/860) ======================= q-point: (-0.05 -0.53 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.413 ( 0.998 -22.375 -6.358) 23.282 3.931 ( -9.519 24.522 -2.158) 26.393 5.724 ( -2.198 -6.145 2.118) 6.862 5.883 ( 1.869 3.305 -1.987) 4.285 6.948 ( 6.511 9.257 11.889) 16.415 7.083 ( -0.787 -4.926 0.037) 4.988 8.215 ( -0.626 -7.499 -1.739) 7.724 8.453 ( -4.058 -3.689 -5.742) 7.941 13.132 ( -0.087 2.335 3.517) 4.222 15.740 ( -0.828 -0.917 -4.540) 4.705 15.998 ( -1.081 3.519 3.028) 4.766 16.731 ( 2.459 6.333 -2.739) 7.325 ======================= Grid point 1650 (816/860) ======================= q-point: (-0.47 -0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -2.506 0.000 1.822) 3.099 2.435 ( -2.719 0.000 -0.492) 2.763 3.022 ( -3.282 0.000 5.621) 6.509 3.903 ( 0.848 -0.000 -1.600) 1.811 5.266 ( 1.728 -0.000 -3.554) 3.952 7.282 ( -2.718 0.000 0.866) 2.853 7.593 ( -6.247 0.000 0.822) 6.301 9.457 ( 4.858 -0.000 0.659) 4.903 14.207 ( -0.436 0.000 0.868) 0.972 15.609 ( 0.750 -0.000 0.420) 0.860 16.041 ( -0.088 0.000 -1.147) 1.151 17.216 ( -0.044 0.000 -0.612) 0.614 ======================= Grid point 1651 (817/860) ======================= q-point: (-0.42 -0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -3.294 -35.402 2.163) 35.621 2.415 ( -5.227 -2.198 -0.042) 5.671 3.004 ( -3.574 0.887 4.076) 5.493 4.036 ( 0.349 -14.610 -1.345) 14.676 5.283 ( 2.772 -1.241 -1.320) 3.311 7.281 ( -5.277 -2.881 1.004) 6.095 7.441 ( -11.957 7.280 -2.473) 14.216 9.431 ( 7.770 9.660 0.996) 12.437 14.264 ( -0.556 -6.446 0.462) 6.487 15.618 ( 1.054 -0.417 -0.548) 1.259 16.221 ( 0.857 -19.415 -0.847) 19.452 17.125 ( 1.060 10.955 1.826) 11.157 ======================= Grid point 1652 (818/860) ======================= q-point: (-0.37 -0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -7.628 -8.319 -2.049) 11.471 2.852 ( -8.439 -22.958 3.727) 24.742 3.081 ( 1.070 -26.949 1.476) 27.010 4.377 ( -0.489 -23.544 -0.628) 23.557 5.344 ( 4.519 -2.165 1.600) 5.260 7.128 ( -13.359 12.296 0.470) 18.162 7.337 ( -8.754 -8.479 -4.627) 13.036 9.254 ( 6.125 16.946 1.547) 18.085 14.417 ( -0.259 -10.413 0.331) 10.421 15.642 ( 1.433 -1.763 -1.572) 2.763 16.631 ( 1.544 -19.523 -5.462) 20.332 16.901 ( 3.970 13.210 7.194) 15.557 ======================= Grid point 1653 (819/860) ======================= q-point: (-0.32 -0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -9.151 -13.175 -6.271) 17.223 2.957 ( -7.167 -9.035 4.359) 12.329 3.901 ( -0.961 -51.104 0.677) 51.117 4.818 ( -1.429 -26.225 0.481) 26.269 5.447 ( 6.853 -2.646 4.308) 8.516 6.801 ( -13.875 10.958 -0.984) 17.708 7.421 ( -10.246 -12.117 -4.956) 16.624 8.969 ( 3.228 20.146 2.221) 20.523 14.605 ( 0.210 -9.748 0.195) 9.752 15.689 ( 1.631 -3.254 -2.944) 4.682 16.436 ( 0.182 23.643 1.215) 23.675 17.174 ( 7.710 -18.229 -0.341) 19.795 ======================= Grid point 1654 (820/860) ======================= q-point: (-0.26 -0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -9.796 -7.571 -8.851) 15.219 3.234 ( -6.685 -26.495 3.583) 27.559 4.768 ( -2.656 -46.482 -0.245) 46.558 5.235 ( -0.991 -19.149 3.178) 19.437 5.609 ( 7.493 -8.699 3.937) 12.138 6.536 ( -12.015 5.671 -0.996) 13.324 7.548 ( -10.994 -14.622 -5.007) 18.967 8.629 ( 1.058 21.224 2.190) 21.363 14.717 ( 0.631 -0.487 0.453) 0.917 15.750 ( 1.072 -3.762 -3.949) 5.558 16.034 ( 0.611 20.539 2.535) 20.704 17.454 ( 7.497 -6.795 -3.909) 10.848 ======================= Grid point 1655 (821/860) ======================= q-point: (-0.21 -0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -9.527 -6.460 -8.530) 14.327 3.756 ( -5.932 -35.363 1.021) 35.872 5.260 ( -6.327 -5.600 5.976) 10.349 5.596 ( 3.673 -24.037 -3.096) 24.512 5.967 ( 2.530 -24.255 2.381) 24.503 6.451 ( -7.532 -8.282 -0.277) 11.198 7.700 ( -9.657 -13.356 -2.134) 16.619 8.269 ( -0.839 19.504 0.012) 19.522 14.570 ( 0.876 19.104 3.119) 19.377 15.738 ( -1.203 3.242 -1.576) 3.800 15.882 ( 1.859 -2.413 -2.382) 3.867 17.498 ( 6.369 5.171 -6.202) 10.285 ======================= Grid point 1656 (822/860) ======================= q-point: (-0.16 -0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -8.104 -9.185 -7.656) 14.445 4.336 ( -4.899 -32.830 0.344) 33.195 5.168 ( -8.375 7.343 3.526) 11.682 5.876 ( 2.709 -7.012 -4.214) 8.617 6.384 ( -0.952 -19.287 2.641) 19.490 6.810 ( -1.945 -33.976 -0.874) 34.043 7.739 ( -1.750 11.126 8.169) 13.913 8.034 ( -7.301 -5.186 -8.889) 12.618 14.154 ( 0.945 28.796 6.583) 29.554 15.699 ( -1.256 -1.075 -5.762) 5.994 15.971 ( 0.394 -5.875 -0.141) 5.889 17.344 ( 5.438 12.936 -8.135) 16.220 ======================= Grid point 1657 (823/860) ======================= q-point: (-0.11 -0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -5.157 -14.138 -6.123) 16.247 4.624 ( -7.212 5.348 3.872) 9.778 5.120 ( -7.152 -18.378 -3.537) 20.036 5.933 ( 2.457 -0.431 -3.162) 4.028 6.700 ( -0.834 -15.951 2.211) 16.125 7.373 ( 1.092 -14.467 1.530) 14.589 7.506 ( -1.602 -0.821 2.794) 3.324 8.145 ( -6.778 -13.132 -5.584) 15.798 13.697 ( 0.961 26.446 8.290) 27.731 15.679 ( -1.384 -1.470 -7.625) 7.888 16.065 ( -1.104 -3.397 3.256) 4.833 17.092 ( 5.048 14.478 -9.917) 18.261 ======================= Grid point 1658 (824/860) ======================= q-point: (-0.05 -0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( -0.989 -19.981 -4.196) 20.441 4.270 ( -9.167 22.121 1.666) 24.003 5.460 ( -3.852 -20.511 -1.774) 20.945 5.927 ( 2.136 1.276 -2.988) 3.889 6.942 ( -0.798 -10.754 1.937) 10.956 7.205 ( 0.648 12.176 3.834) 12.782 7.920 ( -1.099 -23.241 -2.266) 23.377 8.285 ( -3.643 -9.330 -2.731) 10.382 13.344 ( 0.679 17.794 7.436) 19.297 15.669 ( -1.211 -2.494 -5.919) 6.536 16.079 ( -1.855 2.810 4.494) 5.616 16.864 ( 4.356 9.702 -9.491) 14.254 ======================= Grid point 1670 (825/860) ======================= q-point: (-0.42 -0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -4.045 0.000 3.885) 5.608 2.345 ( -7.984 0.000 0.056) 7.985 2.999 ( -4.960 0.000 4.104) 6.437 3.897 ( 0.492 -0.000 -1.954) 2.016 5.294 ( 3.589 -0.000 0.325) 3.604 7.187 ( -8.828 0.000 -3.692) 9.569 7.388 ( -16.296 0.000 0.220) 16.298 9.611 ( 12.106 -0.000 0.019) 12.106 14.199 ( -0.950 0.000 -0.106) 0.956 15.621 ( 1.362 -0.000 -1.551) 2.064 16.034 ( -0.408 0.000 0.535) 0.673 17.250 ( 2.178 -0.000 4.041) 4.591 ======================= Grid point 1671 (826/860) ======================= q-point: (-0.37 -0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -5.602 -31.135 2.823) 31.761 2.295 ( -9.467 -5.290 0.713) 10.868 2.966 ( -5.027 0.142 3.427) 6.086 4.025 ( 0.052 -14.531 -1.624) 14.622 5.353 ( 4.902 -2.080 2.667) 5.955 7.073 ( -18.211 -0.858 -11.396) 21.500 7.224 ( -11.235 4.030 6.209) 13.454 9.592 ( 10.408 12.554 -0.777) 16.326 14.254 ( -0.815 -7.007 -0.225) 7.058 15.627 ( 1.699 -0.480 -2.248) 2.859 16.231 ( 1.285 -20.242 -0.839) 20.300 17.201 ( 3.411 10.401 6.674) 12.820 ======================= Grid point 1672 (827/860) ======================= q-point: (-0.32 -0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -11.684 -7.637 -3.097) 14.298 2.737 ( -10.032 -19.770 4.235) 22.571 3.105 ( -0.203 -29.922 2.141) 29.999 4.362 ( -0.472 -23.426 -0.788) 23.444 5.473 ( 7.039 -3.649 5.475) 9.635 6.799 ( -21.543 5.699 -8.561) 23.872 7.171 ( -9.626 -4.081 1.812) 10.611 9.357 ( 4.626 19.590 -0.169) 20.129 14.415 ( -0.217 -10.984 0.071) 10.987 15.647 ( 2.028 -1.532 -3.357) 4.210 16.608 ( 2.077 -12.938 -5.192) 14.095 17.074 ( 7.400 6.360 9.008) 13.280 ======================= Grid point 1673 (828/860) ======================= q-point: (-0.26 -0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -12.143 -11.751 -7.086) 18.324 2.870 ( -8.858 -11.387 5.348) 15.386 3.889 ( -1.289 -49.364 0.688) 49.385 4.804 ( -0.699 -26.350 0.255) 26.361 5.632 ( 8.827 -3.010 7.700) 12.094 6.495 ( -19.509 4.736 -6.501) 21.102 7.211 ( -11.088 -9.901 -1.134) 14.908 9.011 ( -0.192 21.033 0.571) 21.042 14.610 ( 0.252 -10.088 0.132) 10.092 15.682 ( 2.001 -2.670 -4.861) 5.896 16.461 ( 0.705 21.442 2.702) 21.623 17.318 ( 10.901 -13.842 -1.904) 17.722 ======================= Grid point 1674 (829/860) ======================= q-point: (-0.21 -0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -11.676 -8.921 -8.285) 16.868 3.157 ( -7.182 -26.136 4.187) 27.427 4.720 ( -2.778 -43.944 -0.548) 44.035 5.247 ( -0.353 -22.491 1.408) 22.537 5.779 ( 6.126 -3.428 6.695) 9.701 6.295 ( -13.579 -1.750 -4.398) 14.381 7.333 ( -10.945 -14.871 -1.397) 18.518 8.626 ( -3.037 21.232 0.123) 21.448 14.732 ( 0.515 -1.509 0.650) 1.722 15.724 ( 1.124 -2.962 -5.265) 6.144 16.078 ( 1.279 21.468 3.803) 21.840 17.545 ( 9.584 -3.694 -6.927) 12.389 ======================= Grid point 1675 (830/860) ======================= q-point: (-0.16 -0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -10.070 -8.358 -6.462) 14.595 3.673 ( -5.522 -35.168 1.253) 35.621 5.179 ( -8.144 -6.472 2.403) 10.677 5.622 ( 2.483 -21.769 -3.616) 22.207 6.017 ( -0.645 -19.801 3.093) 20.051 6.341 ( -4.081 -14.461 -0.174) 15.026 7.539 ( -8.671 -17.448 0.331) 19.487 8.215 ( -4.775 21.029 -1.604) 21.624 14.619 ( 0.807 16.795 4.361) 17.371 15.702 ( -1.076 4.421 -1.993) 4.967 15.891 ( 2.191 -0.239 -2.766) 3.537 17.540 ( 7.504 7.342 -9.244) 13.988 ======================= Grid point 1676 (831/860) ======================= q-point: (-0.11 -0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -7.049 -11.553 -3.945) 14.098 4.266 ( -4.067 -34.132 -0.047) 34.373 5.025 ( -11.166 9.839 0.834) 14.906 5.886 ( 3.169 -7.003 -5.095) 9.222 6.381 ( -2.626 -19.925 2.982) 20.317 6.783 ( -0.616 -34.161 -0.001) 34.166 7.786 ( -2.299 1.108 9.415) 9.755 7.809 ( -8.891 1.224 -10.975) 14.177 14.243 ( 1.124 27.803 8.903) 29.215 15.623 ( -1.234 0.868 -5.968) 6.156 15.972 ( 0.521 -6.400 -1.357) 6.563 17.350 ( 5.988 14.214 -10.800) 18.829 ======================= Grid point 1677 (832/860) ======================= q-point: (-0.05 -0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -2.680 -16.916 -1.187) 17.168 4.539 ( -7.933 11.157 4.060) 14.279 4.967 ( -6.207 -24.796 -4.948) 26.035 5.939 ( 2.219 -0.427 -4.043) 4.631 6.703 ( -1.663 -16.498 2.683) 16.797 7.384 ( -0.132 -26.613 0.102) 26.613 7.430 ( -6.570 8.267 -6.735) 12.525 8.051 ( -2.322 -13.897 2.973) 14.400 13.802 ( 1.185 27.119 10.325) 29.042 15.589 ( -1.282 -1.646 -6.896) 7.204 16.071 ( -1.086 -4.006 1.889) 4.560 17.073 ( 5.208 14.991 -12.214) 20.026 ======================= Grid point 1690 (833/860) ======================= q-point: (-0.37 -0.37 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -5.409 0.000 6.005) 8.082 2.179 ( -12.281 0.000 0.253) 12.284 2.944 ( -6.540 0.000 4.843) 8.138 3.883 ( 0.196 -0.000 -2.329) 2.337 5.387 ( 5.201 -0.000 3.933) 6.521 6.845 ( -21.688 0.000 -12.919) 25.244 7.198 ( -11.738 0.000 7.378) 13.864 9.802 ( 12.371 -0.000 -4.340) 13.111 14.175 ( -1.379 0.000 -1.025) 1.718 15.626 ( 2.010 -0.000 -3.000) 3.611 16.037 ( -0.684 0.000 2.120) 2.228 17.361 ( 4.326 -0.000 8.365) 9.418 ======================= Grid point 1691 (834/860) ======================= q-point: (-0.32 -0.37 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -10.912 -11.949 1.782) 16.280 2.152 ( -9.041 -22.004 3.848) 24.099 2.913 ( -6.099 -1.143 5.004) 7.972 4.008 ( -0.072 -14.668 -1.940) 14.796 5.486 ( 6.149 -3.597 5.561) 9.037 6.591 ( -24.821 0.452 -13.360) 28.191 7.119 ( -9.807 2.228 7.430) 12.504 9.716 ( 7.279 15.700 -5.375) 18.121 14.235 ( -0.914 -8.103 -0.855) 8.199 15.633 ( 2.380 -0.415 -3.589) 4.327 16.249 ( 1.722 -20.715 -0.428) 20.791 17.357 ( 5.781 9.378 10.196) 15.011 ======================= Grid point 1692 (835/860) ======================= q-point: (-0.26 -0.37 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -13.692 -6.388 -1.784) 15.214 2.613 ( -11.071 -17.915 6.603) 22.071 3.114 ( -1.190 -31.600 2.440) 31.716 4.348 ( -0.131 -23.705 -1.097) 23.731 5.665 ( 8.309 -6.193 7.443) 12.759 6.306 ( -25.600 1.254 -12.300) 28.429 7.050 ( -9.369 -0.397 5.503) 10.873 9.378 ( -0.477 21.461 -3.350) 21.726 14.411 ( -0.096 -11.745 -0.211) 11.748 15.645 ( 2.519 -1.004 -4.994) 5.683 16.609 ( 2.939 -10.745 -3.198) 11.589 17.298 ( 10.150 4.617 7.827) 13.624 ======================= Grid point 1693 (836/860) ======================= q-point: (-0.21 -0.37 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -12.773 -10.479 -4.145) 17.034 2.774 ( -9.781 -13.295 7.153) 17.989 3.872 ( -1.375 -47.730 0.231) 47.751 4.799 ( 0.087 -26.699 -0.448) 26.703 5.868 ( 8.599 -0.272 10.357) 13.464 6.052 ( -22.441 -5.200 -12.536) 26.226 7.052 ( -9.923 -6.805 3.963) 12.668 8.962 ( -5.281 21.174 -1.914) 21.906 14.615 ( 0.230 -10.367 0.044) 10.370 15.663 ( 2.221 -1.934 -6.426) 7.069 16.512 ( 1.391 19.390 4.661) 19.991 17.484 ( 13.013 -8.582 -4.962) 16.359 ======================= Grid point 1694 (837/860) ======================= q-point: (-0.16 -0.37 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -11.227 -9.763 -3.829) 15.363 3.081 ( -7.215 -26.283 4.909) 27.694 4.667 ( -2.563 -41.410 -1.366) 41.512 5.240 ( -0.859 -22.031 -1.518) 22.100 5.797 ( -13.327 -3.251 -0.407) 13.724 6.146 ( 3.690 -8.276 0.724) 9.090 7.180 ( -9.079 -14.425 3.902) 17.485 8.529 ( -7.534 20.812 -2.307) 22.254 14.745 ( 0.250 -2.690 0.761) 2.807 15.690 ( 1.196 -2.558 -6.065) 6.690 16.147 ( 1.911 23.126 5.233) 23.788 17.631 ( 10.637 -0.151 -10.363) 14.852 ======================= Grid point 1695 (838/860) ======================= q-point: (-0.11 -0.37 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -8.408 -10.388 -1.046) 13.405 3.598 ( -5.067 -34.992 1.295) 35.380 5.037 ( -10.072 -2.703 -1.230) 10.501 5.589 ( -0.679 -24.792 -6.803) 25.717 5.981 ( -5.694 -22.573 2.251) 23.389 6.353 ( 3.401 -13.670 2.430) 14.294 7.429 ( -6.718 -18.039 2.818) 19.454 8.088 ( -8.072 19.917 -2.615) 21.649 14.675 ( 0.523 13.309 5.238) 14.312 15.668 ( -0.804 5.364 -1.834) 5.726 15.903 ( 2.530 3.361 -2.911) 5.116 17.567 ( 7.825 9.515 -11.951) 17.164 ======================= Grid point 1696 (839/860) ======================= q-point: (-0.05 -0.37 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -4.072 -14.216 2.184) 14.949 4.199 ( -3.643 -35.405 -0.817) 35.601 4.832 ( -11.927 10.253 -1.169) 15.772 5.873 ( 1.777 -8.587 -6.609) 10.981 6.357 ( -3.598 -21.545 2.759) 22.017 6.790 ( 0.696 -31.403 0.939) 31.425 7.540 ( -10.673 6.790 -12.127) 17.524 7.846 ( -1.327 -6.659 9.910) 12.013 14.355 ( 1.128 26.266 10.954) 28.481 15.550 ( -1.048 2.901 -5.475) 6.284 15.962 ( 0.711 -6.633 -2.875) 7.265 17.337 ( 5.899 15.472 -12.648) 20.836 ======================= Grid point 1710 (840/860) ======================= q-point: (-0.32 -0.32 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -6.433 0.000 8.004) 10.269 1.962 ( -14.666 0.000 1.597) 14.753 2.884 ( -7.772 0.000 7.596) 10.867 3.860 ( -0.016 0.000 -2.705) 2.705 5.511 ( 3.072 -0.000 3.987) 5.033 6.334 ( -23.829 0.000 -11.372) 26.403 7.106 ( -8.762 0.000 8.478) 12.192 9.900 ( 7.679 -0.000 -11.257) 13.626 14.136 ( -1.678 0.000 -1.750) 2.425 15.635 ( 2.853 -0.000 -3.421) 4.455 16.051 ( -0.890 0.000 3.394) 3.508 17.543 ( 6.399 -0.000 11.369) 13.046 ======================= Grid point 1711 (841/860) ======================= q-point: (-0.26 -0.32 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -14.223 -1.987 3.101) 14.693 2.072 ( -7.899 -29.098 7.315) 31.025 2.865 ( -6.774 -2.491 7.348) 10.300 3.987 ( -0.049 -15.115 -2.287) 15.287 5.579 ( -4.318 -7.401 -2.119) 8.827 6.107 ( -16.732 2.276 -3.898) 17.330 7.048 ( -7.397 3.137 7.913) 11.277 9.708 ( 0.626 17.962 -10.974) 21.058 14.209 ( -0.841 -9.638 -1.478) 9.787 15.639 ( 3.037 0.266 -4.340) 5.304 16.280 ( 2.227 -21.411 0.300) 21.528 17.572 ( 7.994 8.551 11.400) 16.339 ======================= Grid point 1712 (842/860) ======================= q-point: (-0.21 -0.32 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -13.468 -5.312 2.653) 14.719 2.505 ( -11.485 -16.562 10.194) 22.586 3.112 ( -1.666 -32.391 2.005) 32.496 4.338 ( 0.337 -24.306 -1.571) 24.359 5.620 ( -22.774 -11.997 -16.278) 30.456 6.007 ( 3.827 2.600 11.379) 12.284 6.969 ( -7.682 1.926 6.994) 10.566 9.271 ( -6.929 21.644 -6.577) 23.659 14.407 ( 0.063 -12.594 -0.634) 12.610 15.636 ( 2.815 -0.096 -6.184) 6.795 16.644 ( 3.745 -10.442 -1.049) 11.143 17.540 ( 11.930 5.678 4.607) 13.992 ======================= Grid point 1713 (843/860) ======================= q-point: (-0.16 -0.32 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -11.456 -9.444 1.976) 14.978 2.690 ( -9.782 -14.392 9.492) 19.822 3.848 ( -1.195 -46.411 -0.791) 46.433 4.795 ( 0.625 -26.460 -1.899) 26.535 5.501 ( -26.476 -8.429 -14.392) 31.291 6.146 ( 11.084 -2.517 10.025) 15.155 6.958 ( -8.433 -5.278 7.802) 12.643 8.804 ( -10.193 20.313 -4.442) 23.157 14.618 ( 0.175 -10.545 -0.119) 10.547 15.636 ( 2.273 -1.185 -7.349) 7.783 16.594 ( 2.031 17.749 6.751) 19.098 17.638 ( 13.549 -3.170 -9.146) 16.651 ======================= Grid point 1714 (844/860) ======================= q-point: (-0.11 -0.32 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -8.880 -10.430 3.266) 14.082 3.017 ( -6.664 -26.185 5.845) 27.645 4.606 ( -2.822 -37.691 -2.821) 37.902 5.146 ( -7.043 -15.650 -9.225) 19.484 5.514 ( -13.234 -21.995 -1.812) 25.734 6.303 ( 8.464 -2.024 4.694) 9.888 7.110 ( -6.849 -14.120 8.803) 17.994 8.343 ( -10.913 19.623 -4.608) 22.921 14.754 ( -0.053 -3.834 0.796) 3.916 15.651 ( 1.244 -2.543 -6.360) 6.962 16.238 ( 2.351 25.304 6.796) 26.306 17.692 ( 10.400 3.053 -13.728) 17.491 ======================= Grid point 1715 (845/860) ======================= q-point: (-0.05 -0.32 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -4.841 -12.440 6.134) 14.690 3.533 ( -4.423 -34.330 1.433) 34.643 4.824 ( -12.207 -0.259 -5.075) 13.222 5.488 ( -1.960 -30.400 -8.864) 31.726 5.914 ( -4.779 -26.039 2.221) 26.567 6.449 ( 4.291 -9.416 3.113) 10.805 7.357 ( -6.218 -12.417 3.005) 14.208 7.926 ( -8.333 13.591 -1.647) 16.027 14.731 ( 0.082 8.883 5.583) 10.492 15.643 ( -0.520 5.218 -1.281) 5.398 15.920 ( 2.817 8.966 -2.669) 9.770 17.570 ( 7.256 11.211 -13.820) 19.218 ======================= Grid point 1730 (846/860) ======================= q-point: (-0.26 -0.26 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -6.972 0.000 9.660) 11.913 1.749 ( -14.899 0.000 5.416) 15.853 2.837 ( -8.440 0.000 10.826) 13.728 3.832 ( -0.118 0.000 -3.053) 3.055 5.356 ( -21.165 0.000 -13.774) 25.253 6.073 ( -1.958 0.000 8.934) 9.146 7.074 ( -4.257 0.000 7.831) 8.913 9.825 ( -0.252 0.000 -18.362) 18.364 14.089 ( -1.813 0.000 -2.196) 2.848 15.660 ( 3.976 -0.000 -2.989) 4.974 16.071 ( -1.001 0.000 4.211) 4.329 17.774 ( 8.219 -0.000 12.112) 14.638 ======================= Grid point 1731 (847/860) ======================= q-point: (-0.21 -0.26 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -13.859 -1.018 7.903) 15.986 2.022 ( -7.970 -27.997 9.856) 30.732 2.831 ( -6.806 -3.167 9.160) 11.843 3.965 ( 0.082 -15.847 -2.633) 16.065 5.143 ( -28.261 -7.831 -19.097) 34.996 6.138 ( 5.367 0.743 15.255) 16.189 7.030 ( -3.100 5.335 6.579) 9.020 9.527 ( -7.540 18.135 -15.369) 24.939 14.180 ( -0.687 -11.368 -2.139) 11.588 15.652 ( 3.499 1.954 -4.426) 5.971 16.327 ( 2.776 -22.614 0.871) 22.800 17.818 ( 9.497 8.545 9.821) 16.114 ======================= Grid point 1732 (848/860) ======================= q-point: (-0.16 -0.26 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -11.820 -4.883 9.010) 15.644 2.434 ( -11.075 -15.408 14.206) 23.704 3.098 ( -1.543 -32.509 0.697) 32.554 4.329 ( 0.801 -24.965 -2.339) 25.087 4.995 ( -29.110 -12.248 -19.943) 37.351 6.272 ( 9.379 -0.541 15.650) 18.254 6.929 ( -5.204 4.304 6.844) 9.615 9.036 ( -12.664 19.792 -8.843) 25.106 14.401 ( 0.176 -13.513 -1.229) 13.569 15.623 ( 2.850 1.167 -6.638) 7.317 16.709 ( 4.282 -11.265 0.681) 12.071 17.760 ( 11.971 8.676 0.002) 14.785 ======================= Grid point 1733 (849/860) ======================= q-point: (-0.11 -0.26 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -8.769 -8.982 9.527) 15.758 2.637 ( -8.765 -14.529 11.907) 20.729 3.817 ( -0.900 -45.291 -2.358) 45.361 4.745 ( -4.975 -19.461 -11.374) 23.083 4.966 ( -19.856 -21.908 -8.126) 30.663 6.415 ( 10.440 1.590 9.088) 13.932 6.920 ( -6.994 -5.818 11.230) 14.453 8.556 ( -13.349 18.560 -6.610) 23.799 14.618 ( 0.088 -10.692 -0.361) 10.699 15.602 ( 2.158 -0.500 -7.481) 7.802 16.703 ( 2.401 16.414 8.784) 18.771 17.745 ( 12.219 1.710 -13.580) 18.348 ======================= Grid point 1734 (850/860) ======================= q-point: (-0.05 -0.26 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -4.819 -11.313 10.994) 16.495 2.976 ( -5.516 -25.375 6.797) 26.842 4.499 ( -6.499 -27.429 -6.483) 28.924 4.854 ( -10.911 -24.366 -13.854) 30.078 5.390 ( -4.094 -29.573 1.346) 29.886 6.465 ( 6.181 2.353 3.580) 7.520 7.115 ( -4.757 -13.059 12.296) 18.557 8.102 ( -11.720 17.094 -6.399) 21.691 14.758 ( -0.326 -4.838 0.786) 4.913 15.613 ( 1.202 -2.755 -6.162) 6.856 16.348 ( 2.450 27.780 8.325) 29.104 17.710 ( 8.888 5.124 -16.298) 19.258 ======================= Grid point 1750 (851/860) ======================= q-point: (-0.21 -0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -14.191 0.000 10.736) 17.794 1.719 ( -6.933 0.000 10.730) 12.775 2.813 ( -8.100 0.000 13.195) 15.483 3.801 ( -0.092 0.000 -3.329) 3.330 4.736 ( -30.781 0.000 -20.343) 36.896 6.265 ( 5.312 -0.000 18.409) 19.160 7.114 ( 2.101 -0.000 4.342) 4.824 9.551 ( -9.512 0.000 -22.496) 24.424 14.038 ( -1.767 0.000 -2.337) 2.930 15.710 ( 5.093 -0.000 -2.404) 5.631 16.095 ( -0.999 0.000 4.512) 4.621 18.023 ( 9.123 -0.000 10.051) 13.574 ======================= Grid point 1751 (852/860) ======================= q-point: (-0.16 -0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -12.880 -1.763 13.342) 18.628 1.997 ( -7.488 -27.146 11.821) 30.540 2.815 ( -5.932 -2.667 9.644) 11.632 3.941 ( 0.291 -16.721 -3.004) 16.991 4.462 ( -30.515 -8.401 -21.216) 38.103 6.405 ( 5.632 -0.912 19.910) 20.712 7.069 ( 2.550 8.794 2.636) 9.528 9.190 ( -14.678 15.595 -16.626) 27.112 14.147 ( -0.567 -12.943 -2.707) 13.236 15.670 ( 3.542 4.513 -4.009) 6.999 16.385 ( 3.131 -24.144 0.990) 24.366 18.050 ( 9.331 9.619 5.994) 14.680 ======================= Grid point 1752 (853/860) ======================= q-point: (-0.11 -0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -9.598 -5.897 15.144) 18.874 2.413 ( -9.617 -14.542 17.806) 24.920 3.074 ( -0.937 -31.947 -1.659) 32.004 4.284 ( -9.795 -18.229 -17.059) 26.819 4.371 ( -16.782 -22.555 -6.815) 28.928 6.572 ( 7.957 -1.027 17.431) 19.189 6.923 ( -2.281 7.361 4.938) 9.153 8.712 ( -15.686 16.448 -9.773) 24.740 14.389 ( 0.163 -14.505 -1.831) 14.621 15.607 ( 2.597 2.628 -6.305) 7.308 16.792 ( 4.317 -13.091 1.792) 13.901 17.919 ( 9.812 12.864 -4.453) 16.780 ======================= Grid point 1753 (854/860) ======================= q-point: (-0.05 -0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -4.739 -9.823 16.233) 19.557 2.629 ( -6.853 -13.592 13.691) 20.473 3.771 ( -1.062 -43.660 -4.504) 43.905 4.301 ( -19.643 -17.659 -21.486) 34.049 4.840 ( -1.501 -30.017 0.433) 30.057 6.635 ( 7.669 7.991 4.856) 12.094 6.947 ( -4.584 -8.830 15.755) 18.634 8.263 ( -13.481 16.272 -8.291) 22.699 14.614 ( -0.059 -10.909 -0.583) 10.925 15.568 ( 1.862 0.101 -6.854) 7.103 16.833 ( 2.340 15.143 10.736) 18.709 17.778 ( 9.271 5.506 -17.112) 20.226 ======================= Grid point 1770 (855/860) ======================= q-point: (-0.16 -0.16 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -13.926 0.000 15.667) 20.962 1.712 ( -6.307 0.000 10.995) 12.676 2.817 ( -6.601 0.000 12.843) 14.441 3.768 ( 0.070 -0.000 -3.478) 3.479 4.037 ( -30.196 0.000 -20.596) 36.552 6.524 ( 2.607 -0.000 21.716) 21.871 7.218 ( 8.874 -0.000 -1.716) 9.038 9.122 ( -16.765 0.000 -21.195) 27.024 13.989 ( -1.542 0.000 -2.196) 2.684 15.776 ( 5.484 -0.000 -2.169) 5.898 16.121 ( -0.875 0.000 4.305) 4.393 18.243 ( 8.116 -0.000 6.036) 10.114 ======================= Grid point 1771 (856/860) ======================= q-point: (-0.11 -0.16 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -11.884 -4.035 17.969) 21.918 1.999 ( -6.230 -27.712 12.526) 31.043 2.812 ( -4.361 -1.236 7.245) 8.546 3.782 ( -26.277 -8.845 -21.580) 35.134 3.922 ( -0.704 -17.766 -1.993) 17.892 6.661 ( 1.358 -2.398 21.576) 21.751 7.159 ( 8.105 12.652 -2.360) 15.209 8.771 ( -17.695 11.233 -14.398) 25.429 14.112 ( -0.511 -14.042 -2.901) 14.348 15.691 ( 3.036 7.275 -3.338) 8.560 16.443 ( 2.944 -25.603 0.763) 25.783 18.222 ( 7.000 11.420 1.947) 13.536 ======================= Grid point 1772 (857/860) ======================= q-point: (-0.05 -0.16 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -6.054 -8.947 19.910) 22.652 2.452 ( -7.342 -14.192 19.971) 25.577 3.033 ( -0.247 -30.907 -5.512) 31.396 3.708 ( -21.930 -16.819 -22.797) 35.826 4.323 ( 0.012 -27.127 -1.149) 27.151 6.838 ( 2.232 -4.864 19.750) 20.462 6.949 ( 3.003 13.665 0.515) 14.001 8.367 ( -14.519 12.963 -9.686) 21.741 14.372 ( 0.014 -15.480 -2.111) 15.623 15.590 ( 2.048 4.032 -5.354) 7.009 16.878 ( 3.679 -15.949 2.261) 16.523 17.995 ( 6.079 17.516 -6.816) 19.754 ======================= Grid point 1790 (858/860) ======================= q-point: (-0.11 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -13.042 0.000 19.736) 23.656 1.718 ( -5.182 0.000 10.335) 11.562 2.811 ( -5.291 0.000 3.049) 6.107 3.415 ( -24.195 0.000 -12.689) 27.321 3.739 ( 0.363 -0.000 -3.447) 3.467 6.738 ( -0.821 0.000 20.633) 20.650 7.355 ( 11.994 -0.000 -6.605) 13.692 8.655 ( -18.038 0.000 -15.357) 23.690 13.948 ( -1.161 0.000 -1.822) 2.160 15.840 ( 4.554 -0.000 -2.073) 5.003 16.146 ( -0.634 0.000 3.653) 3.707 18.392 ( 5.180 -0.000 2.482) 5.744 ======================= Grid point 1791 (859/860) ======================= q-point: (-0.05 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1625 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -8.385 -8.004 21.802) 24.692 2.024 ( -4.538 -29.543 11.508) 32.029 2.770 ( -4.378 -2.932 -6.037) 8.013 3.236 ( -18.637 -4.977 -10.348) 21.890 3.902 ( 0.290 -18.366 -2.260) 18.507 6.844 ( -1.382 -2.852 17.986) 18.263 7.275 ( 8.992 14.245 -3.724) 17.253 8.383 ( -14.499 7.285 -10.590) 19.377 14.078 ( -0.444 -14.522 -2.531) 14.748 15.705 ( 2.038 9.530 -2.550) 10.074 16.491 ( 2.076 -26.663 0.491) 26.748 18.314 ( 3.515 13.266 -0.163) 13.725 ======================= Grid point 1810 (860/860) ======================= q-point: (-0.05 -0.05 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 860 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -7.471 0.000 22.623) 23.825 1.735 ( -3.723 0.000 8.782) 9.539 2.593 ( -8.687 0.000 -23.397) 24.958 3.133 ( -10.056 0.000 10.848) 14.792 3.717 ( 0.761 -0.000 -3.207) 3.296 6.886 ( -1.070 0.000 14.778) 14.816 7.464 ( 8.293 -0.000 -6.634) 10.620 8.290 ( -11.650 0.000 -9.193) 14.840 13.919 ( -0.666 0.000 -1.272) 1.436 15.881 ( 2.403 -0.000 -1.617) 2.897 16.168 ( -0.302 0.000 2.644) 2.661 18.463 ( 1.796 -0.000 1.030) 2.070 =================== 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 3/38988 10.0 471.916 458.407 690.914 -0.000 -7.928 -0.000 3/38988 20.0 193.397 482.524 285.644 -0.000 -18.375 -0.000 3/38988 30.0 113.994 439.562 174.855 -0.000 -10.640 -0.000 3/38988 40.0 69.710 327.451 108.627 -0.000 -5.836 -0.000 3/38988 50.0 45.184 243.120 70.229 -0.000 -3.421 -0.000 3/38988 60.0 31.746 189.945 48.857 -0.000 -2.182 -0.000 3/38988 70.0 23.954 155.633 36.434 -0.000 -1.486 -0.000 3/38988 80.0 19.092 132.137 28.708 -0.000 -1.063 -0.000 3/38988 90.0 15.844 115.109 23.581 -0.000 -0.791 -0.000 3/38988 100.0 13.546 102.183 19.985 -0.000 -0.607 -0.000 3/38988 110.0 11.845 92.010 17.345 -0.000 -0.479 -0.000 3/38988 120.0 10.537 83.774 15.334 -0.000 -0.387 -0.000 3/38988 130.0 9.501 76.957 13.755 -0.000 -0.319 -0.000 3/38988 140.0 8.661 71.214 12.485 -0.000 -0.267 -0.000 3/38988 150.0 7.966 66.305 11.442 -0.000 -0.227 -0.000 3/38988 160.0 7.381 62.057 10.570 -0.000 -0.196 -0.000 3/38988 170.0 6.882 58.342 9.831 -0.000 -0.171 -0.000 3/38988 180.0 6.450 55.064 9.195 -0.000 -0.150 -0.000 3/38988 190.0 6.073 52.149 8.643 -0.000 -0.134 -0.000 3/38988 200.0 5.741 49.538 8.159 -0.000 -0.120 -0.000 3/38988 210.0 5.446 47.185 7.730 -0.000 -0.108 -0.000 3/38988 220.0 5.182 45.052 7.347 -0.000 -0.099 -0.000 3/38988 230.0 4.944 43.110 7.003 -0.000 -0.090 -0.000 3/38988 240.0 4.728 41.333 6.692 -0.000 -0.083 -0.000 3/38988 250.0 4.532 39.700 6.410 -0.000 -0.077 -0.000 3/38988 260.0 4.352 38.194 6.152 -0.000 -0.071 -0.000 3/38988 270.0 4.186 36.801 5.915 -0.000 -0.066 -0.000 3/38988 280.0 4.033 35.508 5.696 -0.000 -0.062 -0.000 3/38988 290.0 3.892 34.304 5.494 -0.000 -0.058 -0.000 3/38988 300.0 3.760 33.181 5.307 -0.000 -0.055 -0.000 3/38988 310.0 3.638 32.130 5.133 -0.000 -0.052 -0.000 3/38988 320.0 3.523 31.144 4.970 -0.000 -0.049 -0.000 3/38988 330.0 3.416 30.217 4.817 -0.000 -0.047 -0.000 3/38988 340.0 3.315 29.345 4.674 -0.000 -0.044 -0.000 3/38988 350.0 3.221 28.522 4.540 -0.000 -0.042 -0.000 3/38988 360.0 3.131 27.744 4.413 -0.000 -0.040 -0.000 3/38988 370.0 3.047 27.008 4.293 -0.000 -0.039 -0.000 3/38988 380.0 2.967 26.310 4.180 -0.000 -0.037 -0.000 3/38988 390.0 2.891 25.647 4.073 -0.000 -0.036 -0.000 3/38988 400.0 2.819 25.017 3.971 -0.000 -0.034 -0.000 3/38988 410.0 2.751 24.417 3.874 -0.000 -0.033 -0.000 3/38988 420.0 2.686 23.846 3.782 -0.000 -0.032 -0.000 3/38988 430.0 2.624 23.301 3.695 -0.000 -0.031 -0.000 3/38988 440.0 2.564 22.780 3.611 -0.000 -0.030 -0.000 3/38988 450.0 2.508 22.282 3.531 -0.000 -0.029 -0.000 3/38988 460.0 2.454 21.805 3.455 -0.000 -0.028 -0.000 3/38988 470.0 2.402 21.349 3.382 -0.000 -0.027 -0.000 3/38988 480.0 2.352 20.911 3.312 -0.000 -0.026 -0.000 3/38988 490.0 2.305 20.490 3.244 -0.000 -0.026 -0.000 3/38988 500.0 2.259 20.087 3.180 -0.000 -0.025 -0.000 3/38988 510.0 2.215 19.698 3.118 -0.000 -0.024 -0.000 3/38988 520.0 2.173 19.325 3.058 -0.000 -0.024 -0.000 3/38988 530.0 2.132 18.965 3.001 -0.000 -0.023 -0.000 3/38988 540.0 2.093 18.619 2.946 -0.000 -0.022 -0.000 3/38988 550.0 2.055 18.285 2.893 -0.000 -0.022 -0.000 3/38988 560.0 2.019 17.963 2.841 -0.000 -0.021 -0.000 3/38988 570.0 1.984 17.652 2.792 -0.000 -0.021 -0.000 3/38988 580.0 1.950 17.351 2.744 -0.000 -0.020 -0.000 3/38988 590.0 1.917 17.061 2.698 -0.000 -0.020 -0.000 3/38988 600.0 1.885 16.780 2.653 -0.000 -0.020 -0.000 3/38988 610.0 1.855 16.508 2.610 -0.000 -0.019 -0.000 3/38988 620.0 1.825 16.245 2.568 -0.000 -0.019 -0.000 3/38988 630.0 1.796 15.990 2.528 -0.000 -0.018 -0.000 3/38988 640.0 1.768 15.743 2.489 -0.000 -0.018 -0.000 3/38988 650.0 1.741 15.503 2.451 -0.000 -0.018 -0.000 3/38988 660.0 1.715 15.271 2.414 -0.000 -0.017 -0.000 3/38988 670.0 1.690 15.045 2.378 -0.000 -0.017 -0.000 3/38988 680.0 1.665 14.826 2.343 -0.000 -0.017 -0.000 3/38988 690.0 1.641 14.613 2.309 -0.000 -0.016 -0.000 3/38988 700.0 1.618 14.407 2.277 -0.000 -0.016 -0.000 3/38988 710.0 1.595 14.206 2.245 -0.000 -0.016 -0.000 3/38988 720.0 1.573 14.010 2.214 -0.000 -0.016 -0.000 3/38988 730.0 1.552 13.820 2.184 -0.000 -0.015 -0.000 3/38988 740.0 1.531 13.635 2.154 -0.000 -0.015 -0.000 3/38988 750.0 1.511 13.455 2.126 -0.000 -0.015 -0.000 3/38988 760.0 1.491 13.280 2.098 -0.000 -0.015 -0.000 3/38988 770.0 1.472 13.109 2.071 -0.000 -0.014 -0.000 3/38988 780.0 1.453 12.942 2.045 -0.000 -0.014 -0.000 3/38988 790.0 1.435 12.780 2.019 -0.000 -0.014 -0.000 3/38988 800.0 1.417 12.621 1.994 -0.000 -0.014 -0.000 3/38988 810.0 1.400 12.467 1.969 -0.000 -0.014 -0.000 3/38988 820.0 1.383 12.316 1.945 -0.000 -0.013 -0.000 3/38988 830.0 1.366 12.169 1.922 -0.000 -0.013 -0.000 3/38988 840.0 1.350 12.025 1.899 -0.000 -0.013 -0.000 3/38988 850.0 1.334 11.884 1.877 -0.000 -0.013 -0.000 3/38988 860.0 1.319 11.747 1.855 -0.000 -0.013 -0.000 3/38988 870.0 1.304 11.613 1.834 -0.000 -0.013 -0.000 3/38988 880.0 1.289 11.482 1.814 -0.000 -0.012 -0.000 3/38988 890.0 1.275 11.354 1.793 -0.000 -0.012 -0.000 3/38988 900.0 1.260 11.229 1.773 -0.000 -0.012 -0.000 3/38988 910.0 1.247 11.106 1.754 -0.000 -0.012 -0.000 3/38988 920.0 1.233 10.986 1.735 -0.000 -0.012 -0.000 3/38988 930.0 1.220 10.869 1.717 -0.000 -0.012 -0.000 3/38988 940.0 1.207 10.754 1.698 -0.000 -0.012 -0.000 3/38988 950.0 1.194 10.642 1.681 -0.000 -0.011 -0.000 3/38988 960.0 1.182 10.532 1.663 -0.000 -0.011 -0.000 3/38988 970.0 1.170 10.424 1.646 -0.000 -0.011 -0.000 3/38988 980.0 1.158 10.318 1.629 -0.000 -0.011 -0.000 3/38988 990.0 1.146 10.214 1.613 -0.000 -0.011 -0.000 3/38988 1000.0 1.135 10.113 1.597 -0.000 -0.011 -0.000 3/38988 Thermal conductivity related properties were written into "kappa-m19199.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:24:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|