----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:16:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 3.214157811140123 -1.370593695000000 0.000000000000000 b 3.214157811140123 1.370593695000000 0.000000000000000 c -3.131221693723271 0.000000000000000 5.196017332816243 Atomic positions (fractional): *1 O 0.57058643818685 0.57058643818685 0.22827790842650 15.999 2 O 0.42941356181315 0.42941356181315 0.77172209157350 15.999 *3 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 *4 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.428315622280246 0.000000000000000 0.000000000000000 b 0.000000000000000 2.741187390000000 0.000000000000000 c -3.131221693723271 0.000000000000000 5.196017332816243 Atomic positions (fractional): *1 O 0.07058643818685 0.50000000000000 0.22827790842650 15.999 > 1 2 O 0.92941356181315 0.50000000000000 0.77172209157350 15.999 > 2 3 O 0.57058643818685 0.00000000000000 0.22827790842650 15.999 > 1 4 O 0.42941356181315 0.00000000000000 0.77172209157350 15.999 > 2 *5 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 3 6 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 3 *7 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 4 8 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.856631244560491 0.000000000000000 0.000000000000000 b 0.000000000000000 10.964749560000000 0.000000000000000 c -6.262443387446542 0.000000000000000 10.392034665632487 Atomic positions (fractional): *1 O 0.03529321909342 0.12500000000000 0.11413895421325 15.999 > 1 2 O 0.53529321909342 0.12500000000000 0.11413895421325 15.999 > 1 3 O 0.03529321909342 0.37500000000000 0.11413895421325 15.999 > 1 4 O 0.53529321909342 0.37500000000000 0.11413895421325 15.999 > 1 5 O 0.03529321909342 0.62500000000000 0.11413895421325 15.999 > 1 6 O 0.53529321909342 0.62500000000000 0.11413895421325 15.999 > 1 7 O 0.03529321909342 0.87500000000000 0.11413895421325 15.999 > 1 8 O 0.53529321909342 0.87500000000000 0.11413895421325 15.999 > 1 9 O 0.03529321909342 0.12500000000000 0.61413895421325 15.999 > 1 10 O 0.53529321909342 0.12500000000000 0.61413895421325 15.999 > 1 11 O 0.03529321909342 0.37500000000000 0.61413895421325 15.999 > 1 12 O 0.53529321909342 0.37500000000000 0.61413895421325 15.999 > 1 13 O 0.03529321909342 0.62500000000000 0.61413895421325 15.999 > 1 14 O 0.53529321909342 0.62500000000000 0.61413895421325 15.999 > 1 15 O 0.03529321909342 0.87500000000000 0.61413895421325 15.999 > 1 16 O 0.53529321909342 0.87500000000000 0.61413895421325 15.999 > 1 17 O 0.46470678090658 0.12500000000000 0.38586104578675 15.999 > 2 18 O 0.96470678090658 0.12500000000000 0.38586104578675 15.999 > 2 19 O 0.46470678090658 0.37500000000000 0.38586104578675 15.999 > 2 20 O 0.96470678090658 0.37500000000000 0.38586104578675 15.999 > 2 21 O 0.46470678090658 0.62500000000000 0.38586104578675 15.999 > 2 22 O 0.96470678090658 0.62500000000000 0.38586104578675 15.999 > 2 23 O 0.46470678090658 0.87500000000000 0.38586104578675 15.999 > 2 24 O 0.96470678090658 0.87500000000000 0.38586104578675 15.999 > 2 25 O 0.46470678090658 0.12500000000000 0.88586104578675 15.999 > 2 26 O 0.96470678090658 0.12500000000000 0.88586104578675 15.999 > 2 27 O 0.46470678090658 0.37500000000000 0.88586104578675 15.999 > 2 28 O 0.96470678090658 0.37500000000000 0.88586104578675 15.999 > 2 29 O 0.46470678090658 0.62500000000000 0.88586104578675 15.999 > 2 30 O 0.96470678090658 0.62500000000000 0.88586104578675 15.999 > 2 31 O 0.46470678090658 0.87500000000000 0.88586104578675 15.999 > 2 32 O 0.96470678090658 0.87500000000000 0.88586104578675 15.999 > 2 33 O 0.28529321909342 0.00000000000000 0.11413895421325 15.999 > 1 34 O 0.78529321909342 0.00000000000000 0.11413895421325 15.999 > 1 35 O 0.28529321909342 0.25000000000000 0.11413895421325 15.999 > 1 36 O 0.78529321909342 0.25000000000000 0.11413895421325 15.999 > 1 37 O 0.28529321909342 0.50000000000000 0.11413895421325 15.999 > 1 38 O 0.78529321909342 0.50000000000000 0.11413895421325 15.999 > 1 39 O 0.28529321909342 0.75000000000000 0.11413895421325 15.999 > 1 40 O 0.78529321909342 0.75000000000000 0.11413895421325 15.999 > 1 41 O 0.28529321909342 0.00000000000000 0.61413895421325 15.999 > 1 42 O 0.78529321909342 0.00000000000000 0.61413895421325 15.999 > 1 43 O 0.28529321909342 0.25000000000000 0.61413895421325 15.999 > 1 44 O 0.78529321909342 0.25000000000000 0.61413895421325 15.999 > 1 45 O 0.28529321909342 0.50000000000000 0.61413895421325 15.999 > 1 46 O 0.78529321909342 0.50000000000000 0.61413895421325 15.999 > 1 47 O 0.28529321909342 0.75000000000000 0.61413895421325 15.999 > 1 48 O 0.78529321909342 0.75000000000000 0.61413895421325 15.999 > 1 49 O 0.21470678090658 0.00000000000000 0.38586104578675 15.999 > 2 50 O 0.71470678090658 0.00000000000000 0.38586104578675 15.999 > 2 51 O 0.21470678090658 0.25000000000000 0.38586104578675 15.999 > 2 52 O 0.71470678090658 0.25000000000000 0.38586104578675 15.999 > 2 53 O 0.21470678090658 0.50000000000000 0.38586104578675 15.999 > 2 54 O 0.71470678090658 0.50000000000000 0.38586104578675 15.999 > 2 55 O 0.21470678090658 0.75000000000000 0.38586104578675 15.999 > 2 56 O 0.71470678090658 0.75000000000000 0.38586104578675 15.999 > 2 57 O 0.21470678090658 0.00000000000000 0.88586104578675 15.999 > 2 58 O 0.71470678090658 0.00000000000000 0.88586104578675 15.999 > 2 59 O 0.21470678090658 0.25000000000000 0.88586104578675 15.999 > 2 60 O 0.71470678090658 0.25000000000000 0.88586104578675 15.999 > 2 61 O 0.21470678090658 0.50000000000000 0.88586104578675 15.999 > 2 62 O 0.71470678090658 0.50000000000000 0.88586104578675 15.999 > 2 63 O 0.21470678090658 0.75000000000000 0.88586104578675 15.999 > 2 64 O 0.71470678090658 0.75000000000000 0.88586104578675 15.999 > 2 *65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 3 66 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 3 67 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 3 68 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 3 69 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 3 70 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 3 71 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 3 72 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 3 73 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 3 74 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 3 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 3 76 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 3 77 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 3 78 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 3 79 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 3 80 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 3 81 Na 0.25000000000000 0.12500000000000 0.25000000000000 22.990 > 3 82 Na 0.75000000000000 0.12500000000000 0.25000000000000 22.990 > 3 83 Na 0.25000000000000 0.37500000000000 0.25000000000000 22.990 > 3 84 Na 0.75000000000000 0.37500000000000 0.25000000000000 22.990 > 3 85 Na 0.25000000000000 0.62500000000000 0.25000000000000 22.990 > 3 86 Na 0.75000000000000 0.62500000000000 0.25000000000000 22.990 > 3 87 Na 0.25000000000000 0.87500000000000 0.25000000000000 22.990 > 3 88 Na 0.75000000000000 0.87500000000000 0.25000000000000 22.990 > 3 89 Na 0.25000000000000 0.12500000000000 0.75000000000000 22.990 > 3 90 Na 0.75000000000000 0.12500000000000 0.75000000000000 22.990 > 3 91 Na 0.25000000000000 0.37500000000000 0.75000000000000 22.990 > 3 92 Na 0.75000000000000 0.37500000000000 0.75000000000000 22.990 > 3 93 Na 0.25000000000000 0.62500000000000 0.75000000000000 22.990 > 3 94 Na 0.75000000000000 0.62500000000000 0.75000000000000 22.990 > 3 95 Na 0.25000000000000 0.87500000000000 0.75000000000000 22.990 > 3 96 Na 0.75000000000000 0.87500000000000 0.75000000000000 22.990 > 3 *97 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 4 98 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 4 99 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 4 100 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 4 101 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 4 102 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 4 103 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 4 104 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 4 105 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 4 106 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 4 107 Cu 0.00000000000000 0.25000000000000 0.50000000000000 63.546 > 4 108 Cu 0.50000000000000 0.25000000000000 0.50000000000000 63.546 > 4 109 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 4 110 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 4 111 Cu 0.00000000000000 0.75000000000000 0.50000000000000 63.546 > 4 112 Cu 0.50000000000000 0.75000000000000 0.50000000000000 63.546 > 4 113 Cu 0.25000000000000 0.12500000000000 0.00000000000000 63.546 > 4 114 Cu 0.75000000000000 0.12500000000000 0.00000000000000 63.546 > 4 115 Cu 0.25000000000000 0.37500000000000 0.00000000000000 63.546 > 4 116 Cu 0.75000000000000 0.37500000000000 0.00000000000000 63.546 > 4 117 Cu 0.25000000000000 0.62500000000000 0.00000000000000 63.546 > 4 118 Cu 0.75000000000000 0.62500000000000 0.00000000000000 63.546 > 4 119 Cu 0.25000000000000 0.87500000000000 0.00000000000000 63.546 > 4 120 Cu 0.75000000000000 0.87500000000000 0.00000000000000 63.546 > 4 121 Cu 0.25000000000000 0.12500000000000 0.50000000000000 63.546 > 4 122 Cu 0.75000000000000 0.12500000000000 0.50000000000000 63.546 > 4 123 Cu 0.25000000000000 0.37500000000000 0.50000000000000 63.546 > 4 124 Cu 0.75000000000000 0.37500000000000 0.50000000000000 63.546 > 4 125 Cu 0.25000000000000 0.62500000000000 0.50000000000000 63.546 > 4 126 Cu 0.75000000000000 0.62500000000000 0.50000000000000 63.546 > 4 127 Cu 0.25000000000000 0.87500000000000 0.50000000000000 63.546 > 4 128 Cu 0.75000000000000 0.87500000000000 0.50000000000000 63.546 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1890479 0.0000000 -0.1425559 0.0000000 9.3697458 0.0000000 -0.1425565 0.0000000 4.9332208 -------------------------- Born effective charges -------------------------- 1 O -0.9172778 0.0000000 0.0598116 0.0000000 -2.5886727 0.0000000 0.2146518 0.0000000 -1.0470602 2 O -0.9172778 0.0000000 0.0598116 0.0000000 -2.5886727 0.0000000 0.2146518 0.0000000 -1.0470602 3 Na 1.0628739 0.0000000 -0.1109709 0.0000000 0.9925683 0.0000000 -0.1359412 0.0000000 1.5148670 4 Cu 0.7716818 0.0000000 -0.0086524 0.0000000 4.1847771 0.0000000 -0.2933624 0.0000000 0.5792535 ---------------------------------------------------------------------------- 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: 0.704 Solver_block: 160 / 160 - Time: 0.479 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.198 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-07 20:16:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:16:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 3.214157811140123 -1.370593695000000 0.000000000000000 b 3.214157811140123 1.370593695000000 0.000000000000000 c -3.131221693723271 0.000000000000000 5.196017332816243 Atomic positions (fractional): 1 O 0.57058643818685 0.57058643818685 0.22827790842650 15.999 2 O 0.42941356181315 0.42941356181315 0.77172209157350 15.999 3 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 4 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.856631244560491 0.000000000000000 0.000000000000000 b 0.000000000000000 10.964749560000000 0.000000000000000 c -6.262443387446542 0.000000000000000 10.392034665632487 Atomic positions (fractional): 1 O 0.03529321909342 0.12500000000000 0.11413895421325 15.999 > 1 2 O 0.53529321909342 0.12500000000000 0.11413895421325 15.999 > 1 3 O 0.03529321909342 0.37500000000000 0.11413895421325 15.999 > 1 4 O 0.53529321909342 0.37500000000000 0.11413895421325 15.999 > 1 5 O 0.03529321909342 0.62500000000000 0.11413895421325 15.999 > 1 6 O 0.53529321909342 0.62500000000000 0.11413895421325 15.999 > 1 7 O 0.03529321909342 0.87500000000000 0.11413895421325 15.999 > 1 8 O 0.53529321909342 0.87500000000000 0.11413895421325 15.999 > 1 9 O 0.03529321909342 0.12500000000000 0.61413895421325 15.999 > 1 10 O 0.53529321909342 0.12500000000000 0.61413895421325 15.999 > 1 11 O 0.03529321909342 0.37500000000000 0.61413895421325 15.999 > 1 12 O 0.53529321909342 0.37500000000000 0.61413895421325 15.999 > 1 13 O 0.03529321909342 0.62500000000000 0.61413895421325 15.999 > 1 14 O 0.53529321909342 0.62500000000000 0.61413895421325 15.999 > 1 15 O 0.03529321909342 0.87500000000000 0.61413895421325 15.999 > 1 16 O 0.53529321909342 0.87500000000000 0.61413895421325 15.999 > 1 17 O 0.46470678090658 0.12500000000000 0.38586104578675 15.999 > 17 18 O 0.96470678090658 0.12500000000000 0.38586104578675 15.999 > 17 19 O 0.46470678090658 0.37500000000000 0.38586104578675 15.999 > 17 20 O 0.96470678090658 0.37500000000000 0.38586104578675 15.999 > 17 21 O 0.46470678090658 0.62500000000000 0.38586104578675 15.999 > 17 22 O 0.96470678090658 0.62500000000000 0.38586104578675 15.999 > 17 23 O 0.46470678090658 0.87500000000000 0.38586104578675 15.999 > 17 24 O 0.96470678090658 0.87500000000000 0.38586104578675 15.999 > 17 25 O 0.46470678090658 0.12500000000000 0.88586104578675 15.999 > 17 26 O 0.96470678090658 0.12500000000000 0.88586104578675 15.999 > 17 27 O 0.46470678090658 0.37500000000000 0.88586104578675 15.999 > 17 28 O 0.96470678090658 0.37500000000000 0.88586104578675 15.999 > 17 29 O 0.46470678090658 0.62500000000000 0.88586104578675 15.999 > 17 30 O 0.96470678090658 0.62500000000000 0.88586104578675 15.999 > 17 31 O 0.46470678090658 0.87500000000000 0.88586104578675 15.999 > 17 32 O 0.96470678090658 0.87500000000000 0.88586104578675 15.999 > 17 33 O 0.28529321909342 0.00000000000000 0.11413895421325 15.999 > 1 34 O 0.78529321909342 0.00000000000000 0.11413895421325 15.999 > 1 35 O 0.28529321909342 0.25000000000000 0.11413895421325 15.999 > 1 36 O 0.78529321909342 0.25000000000000 0.11413895421325 15.999 > 1 37 O 0.28529321909342 0.50000000000000 0.11413895421325 15.999 > 1 38 O 0.78529321909342 0.50000000000000 0.11413895421325 15.999 > 1 39 O 0.28529321909342 0.75000000000000 0.11413895421325 15.999 > 1 40 O 0.78529321909342 0.75000000000000 0.11413895421325 15.999 > 1 41 O 0.28529321909342 0.00000000000000 0.61413895421325 15.999 > 1 42 O 0.78529321909342 0.00000000000000 0.61413895421325 15.999 > 1 43 O 0.28529321909342 0.25000000000000 0.61413895421325 15.999 > 1 44 O 0.78529321909342 0.25000000000000 0.61413895421325 15.999 > 1 45 O 0.28529321909342 0.50000000000000 0.61413895421325 15.999 > 1 46 O 0.78529321909342 0.50000000000000 0.61413895421325 15.999 > 1 47 O 0.28529321909342 0.75000000000000 0.61413895421325 15.999 > 1 48 O 0.78529321909342 0.75000000000000 0.61413895421325 15.999 > 1 49 O 0.21470678090658 0.00000000000000 0.38586104578675 15.999 > 17 50 O 0.71470678090658 0.00000000000000 0.38586104578675 15.999 > 17 51 O 0.21470678090658 0.25000000000000 0.38586104578675 15.999 > 17 52 O 0.71470678090658 0.25000000000000 0.38586104578675 15.999 > 17 53 O 0.21470678090658 0.50000000000000 0.38586104578675 15.999 > 17 54 O 0.71470678090658 0.50000000000000 0.38586104578675 15.999 > 17 55 O 0.21470678090658 0.75000000000000 0.38586104578675 15.999 > 17 56 O 0.71470678090658 0.75000000000000 0.38586104578675 15.999 > 17 57 O 0.21470678090658 0.00000000000000 0.88586104578675 15.999 > 17 58 O 0.71470678090658 0.00000000000000 0.88586104578675 15.999 > 17 59 O 0.21470678090658 0.25000000000000 0.88586104578675 15.999 > 17 60 O 0.71470678090658 0.25000000000000 0.88586104578675 15.999 > 17 61 O 0.21470678090658 0.50000000000000 0.88586104578675 15.999 > 17 62 O 0.71470678090658 0.50000000000000 0.88586104578675 15.999 > 17 63 O 0.21470678090658 0.75000000000000 0.88586104578675 15.999 > 17 64 O 0.71470678090658 0.75000000000000 0.88586104578675 15.999 > 17 65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 65 67 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 65 68 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 65 69 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 65 70 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 65 71 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 65 72 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 65 73 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 65 74 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 65 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 65 76 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 65 77 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 65 78 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 65 79 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 65 80 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 65 81 Na 0.25000000000000 0.12500000000000 0.25000000000000 22.990 > 65 82 Na 0.75000000000000 0.12500000000000 0.25000000000000 22.990 > 65 83 Na 0.25000000000000 0.37500000000000 0.25000000000000 22.990 > 65 84 Na 0.75000000000000 0.37500000000000 0.25000000000000 22.990 > 65 85 Na 0.25000000000000 0.62500000000000 0.25000000000000 22.990 > 65 86 Na 0.75000000000000 0.62500000000000 0.25000000000000 22.990 > 65 87 Na 0.25000000000000 0.87500000000000 0.25000000000000 22.990 > 65 88 Na 0.75000000000000 0.87500000000000 0.25000000000000 22.990 > 65 89 Na 0.25000000000000 0.12500000000000 0.75000000000000 22.990 > 65 90 Na 0.75000000000000 0.12500000000000 0.75000000000000 22.990 > 65 91 Na 0.25000000000000 0.37500000000000 0.75000000000000 22.990 > 65 92 Na 0.75000000000000 0.37500000000000 0.75000000000000 22.990 > 65 93 Na 0.25000000000000 0.62500000000000 0.75000000000000 22.990 > 65 94 Na 0.75000000000000 0.62500000000000 0.75000000000000 22.990 > 65 95 Na 0.25000000000000 0.87500000000000 0.75000000000000 22.990 > 65 96 Na 0.75000000000000 0.87500000000000 0.75000000000000 22.990 > 65 97 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 97 98 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 97 99 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 97 100 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 97 101 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 97 102 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 97 103 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 97 104 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 97 105 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 97 106 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 97 107 Cu 0.00000000000000 0.25000000000000 0.50000000000000 63.546 > 97 108 Cu 0.50000000000000 0.25000000000000 0.50000000000000 63.546 > 97 109 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 97 110 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 97 111 Cu 0.00000000000000 0.75000000000000 0.50000000000000 63.546 > 97 112 Cu 0.50000000000000 0.75000000000000 0.50000000000000 63.546 > 97 113 Cu 0.25000000000000 0.12500000000000 0.00000000000000 63.546 > 97 114 Cu 0.75000000000000 0.12500000000000 0.00000000000000 63.546 > 97 115 Cu 0.25000000000000 0.37500000000000 0.00000000000000 63.546 > 97 116 Cu 0.75000000000000 0.37500000000000 0.00000000000000 63.546 > 97 117 Cu 0.25000000000000 0.62500000000000 0.00000000000000 63.546 > 97 118 Cu 0.75000000000000 0.62500000000000 0.00000000000000 63.546 > 97 119 Cu 0.25000000000000 0.87500000000000 0.00000000000000 63.546 > 97 120 Cu 0.75000000000000 0.87500000000000 0.00000000000000 63.546 > 97 121 Cu 0.25000000000000 0.12500000000000 0.50000000000000 63.546 > 97 122 Cu 0.75000000000000 0.12500000000000 0.50000000000000 63.546 > 97 123 Cu 0.25000000000000 0.37500000000000 0.50000000000000 63.546 > 97 124 Cu 0.75000000000000 0.37500000000000 0.50000000000000 63.546 > 97 125 Cu 0.25000000000000 0.62500000000000 0.50000000000000 63.546 > 97 126 Cu 0.75000000000000 0.62500000000000 0.50000000000000 63.546 > 97 127 Cu 0.25000000000000 0.87500000000000 0.50000000000000 63.546 > 97 128 Cu 0.75000000000000 0.87500000000000 0.50000000000000 63.546 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1890479 0.0000000 -0.1425559 0.0000000 9.3697458 0.0000000 -0.1425565 0.0000000 4.9332208 -------------------------- Born effective charges -------------------------- 1 O -0.9172778 0.0000000 0.0598116 0.0000000 -2.5886727 0.0000000 0.2146518 0.0000000 -1.0470602 2 O -0.9172778 0.0000000 0.0598116 0.0000000 -2.5886727 0.0000000 0.2146518 0.0000000 -1.0470602 3 Na 1.0628739 0.0000000 -0.1109709 0.0000000 0.9925683 0.0000000 -0.1359412 0.0000000 1.5148670 4 Cu 0.7716818 0.0000000 -0.0086524 0.0000000 4.1847771 0.0000000 -0.2933624 0.0000000 0.5792535 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000008 (zzz) 0.00000008 (zzz) 0.00000008 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000007 (zx) -0.00000007 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:16:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:16:23]------------------------- 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 3.214157811140123 -1.370593695000000 0.000000000000000 b 3.214157811140123 1.370593695000000 0.000000000000000 c -3.131221693723271 0.000000000000000 5.196017332816243 Atomic positions (fractional): 1 O 0.57058643818685 0.57058643818685 0.22827790842650 15.999 2 O 0.42941356181315 0.42941356181315 0.77172209157350 15.999 3 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 4 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.856631244560491 0.000000000000000 0.000000000000000 b 0.000000000000000 10.964749560000000 0.000000000000000 c -6.262443387446542 0.000000000000000 10.392034665632487 Atomic positions (fractional): 1 O 0.03529321909342 0.12500000000000 0.11413895421325 15.999 > 1 2 O 0.53529321909342 0.12500000000000 0.11413895421325 15.999 > 1 3 O 0.03529321909342 0.37500000000000 0.11413895421325 15.999 > 1 4 O 0.53529321909342 0.37500000000000 0.11413895421325 15.999 > 1 5 O 0.03529321909342 0.62500000000000 0.11413895421325 15.999 > 1 6 O 0.53529321909342 0.62500000000000 0.11413895421325 15.999 > 1 7 O 0.03529321909342 0.87500000000000 0.11413895421325 15.999 > 1 8 O 0.53529321909342 0.87500000000000 0.11413895421325 15.999 > 1 9 O 0.03529321909342 0.12500000000000 0.61413895421325 15.999 > 1 10 O 0.53529321909342 0.12500000000000 0.61413895421325 15.999 > 1 11 O 0.03529321909342 0.37500000000000 0.61413895421325 15.999 > 1 12 O 0.53529321909342 0.37500000000000 0.61413895421325 15.999 > 1 13 O 0.03529321909342 0.62500000000000 0.61413895421325 15.999 > 1 14 O 0.53529321909342 0.62500000000000 0.61413895421325 15.999 > 1 15 O 0.03529321909342 0.87500000000000 0.61413895421325 15.999 > 1 16 O 0.53529321909342 0.87500000000000 0.61413895421325 15.999 > 1 17 O 0.46470678090658 0.12500000000000 0.38586104578675 15.999 > 17 18 O 0.96470678090658 0.12500000000000 0.38586104578675 15.999 > 17 19 O 0.46470678090658 0.37500000000000 0.38586104578675 15.999 > 17 20 O 0.96470678090658 0.37500000000000 0.38586104578675 15.999 > 17 21 O 0.46470678090658 0.62500000000000 0.38586104578675 15.999 > 17 22 O 0.96470678090658 0.62500000000000 0.38586104578675 15.999 > 17 23 O 0.46470678090658 0.87500000000000 0.38586104578675 15.999 > 17 24 O 0.96470678090658 0.87500000000000 0.38586104578675 15.999 > 17 25 O 0.46470678090658 0.12500000000000 0.88586104578675 15.999 > 17 26 O 0.96470678090658 0.12500000000000 0.88586104578675 15.999 > 17 27 O 0.46470678090658 0.37500000000000 0.88586104578675 15.999 > 17 28 O 0.96470678090658 0.37500000000000 0.88586104578675 15.999 > 17 29 O 0.46470678090658 0.62500000000000 0.88586104578675 15.999 > 17 30 O 0.96470678090658 0.62500000000000 0.88586104578675 15.999 > 17 31 O 0.46470678090658 0.87500000000000 0.88586104578675 15.999 > 17 32 O 0.96470678090658 0.87500000000000 0.88586104578675 15.999 > 17 33 O 0.28529321909342 0.00000000000000 0.11413895421325 15.999 > 1 34 O 0.78529321909342 0.00000000000000 0.11413895421325 15.999 > 1 35 O 0.28529321909342 0.25000000000000 0.11413895421325 15.999 > 1 36 O 0.78529321909342 0.25000000000000 0.11413895421325 15.999 > 1 37 O 0.28529321909342 0.50000000000000 0.11413895421325 15.999 > 1 38 O 0.78529321909342 0.50000000000000 0.11413895421325 15.999 > 1 39 O 0.28529321909342 0.75000000000000 0.11413895421325 15.999 > 1 40 O 0.78529321909342 0.75000000000000 0.11413895421325 15.999 > 1 41 O 0.28529321909342 0.00000000000000 0.61413895421325 15.999 > 1 42 O 0.78529321909342 0.00000000000000 0.61413895421325 15.999 > 1 43 O 0.28529321909342 0.25000000000000 0.61413895421325 15.999 > 1 44 O 0.78529321909342 0.25000000000000 0.61413895421325 15.999 > 1 45 O 0.28529321909342 0.50000000000000 0.61413895421325 15.999 > 1 46 O 0.78529321909342 0.50000000000000 0.61413895421325 15.999 > 1 47 O 0.28529321909342 0.75000000000000 0.61413895421325 15.999 > 1 48 O 0.78529321909342 0.75000000000000 0.61413895421325 15.999 > 1 49 O 0.21470678090658 0.00000000000000 0.38586104578675 15.999 > 17 50 O 0.71470678090658 0.00000000000000 0.38586104578675 15.999 > 17 51 O 0.21470678090658 0.25000000000000 0.38586104578675 15.999 > 17 52 O 0.71470678090658 0.25000000000000 0.38586104578675 15.999 > 17 53 O 0.21470678090658 0.50000000000000 0.38586104578675 15.999 > 17 54 O 0.71470678090658 0.50000000000000 0.38586104578675 15.999 > 17 55 O 0.21470678090658 0.75000000000000 0.38586104578675 15.999 > 17 56 O 0.71470678090658 0.75000000000000 0.38586104578675 15.999 > 17 57 O 0.21470678090658 0.00000000000000 0.88586104578675 15.999 > 17 58 O 0.71470678090658 0.00000000000000 0.88586104578675 15.999 > 17 59 O 0.21470678090658 0.25000000000000 0.88586104578675 15.999 > 17 60 O 0.71470678090658 0.25000000000000 0.88586104578675 15.999 > 17 61 O 0.21470678090658 0.50000000000000 0.88586104578675 15.999 > 17 62 O 0.71470678090658 0.50000000000000 0.88586104578675 15.999 > 17 63 O 0.21470678090658 0.75000000000000 0.88586104578675 15.999 > 17 64 O 0.71470678090658 0.75000000000000 0.88586104578675 15.999 > 17 65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 65 67 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 65 68 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 65 69 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 65 70 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 65 71 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 65 72 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 65 73 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 65 74 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 65 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 65 76 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 65 77 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 65 78 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 65 79 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 65 80 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 65 81 Na 0.25000000000000 0.12500000000000 0.25000000000000 22.990 > 65 82 Na 0.75000000000000 0.12500000000000 0.25000000000000 22.990 > 65 83 Na 0.25000000000000 0.37500000000000 0.25000000000000 22.990 > 65 84 Na 0.75000000000000 0.37500000000000 0.25000000000000 22.990 > 65 85 Na 0.25000000000000 0.62500000000000 0.25000000000000 22.990 > 65 86 Na 0.75000000000000 0.62500000000000 0.25000000000000 22.990 > 65 87 Na 0.25000000000000 0.87500000000000 0.25000000000000 22.990 > 65 88 Na 0.75000000000000 0.87500000000000 0.25000000000000 22.990 > 65 89 Na 0.25000000000000 0.12500000000000 0.75000000000000 22.990 > 65 90 Na 0.75000000000000 0.12500000000000 0.75000000000000 22.990 > 65 91 Na 0.25000000000000 0.37500000000000 0.75000000000000 22.990 > 65 92 Na 0.75000000000000 0.37500000000000 0.75000000000000 22.990 > 65 93 Na 0.25000000000000 0.62500000000000 0.75000000000000 22.990 > 65 94 Na 0.75000000000000 0.62500000000000 0.75000000000000 22.990 > 65 95 Na 0.25000000000000 0.87500000000000 0.75000000000000 22.990 > 65 96 Na 0.75000000000000 0.87500000000000 0.75000000000000 22.990 > 65 97 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 97 98 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 97 99 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 97 100 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 97 101 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 97 102 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 97 103 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 97 104 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 97 105 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 97 106 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 97 107 Cu 0.00000000000000 0.25000000000000 0.50000000000000 63.546 > 97 108 Cu 0.50000000000000 0.25000000000000 0.50000000000000 63.546 > 97 109 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 97 110 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 97 111 Cu 0.00000000000000 0.75000000000000 0.50000000000000 63.546 > 97 112 Cu 0.50000000000000 0.75000000000000 0.50000000000000 63.546 > 97 113 Cu 0.25000000000000 0.12500000000000 0.00000000000000 63.546 > 97 114 Cu 0.75000000000000 0.12500000000000 0.00000000000000 63.546 > 97 115 Cu 0.25000000000000 0.37500000000000 0.00000000000000 63.546 > 97 116 Cu 0.75000000000000 0.37500000000000 0.00000000000000 63.546 > 97 117 Cu 0.25000000000000 0.62500000000000 0.00000000000000 63.546 > 97 118 Cu 0.75000000000000 0.62500000000000 0.00000000000000 63.546 > 97 119 Cu 0.25000000000000 0.87500000000000 0.00000000000000 63.546 > 97 120 Cu 0.75000000000000 0.87500000000000 0.00000000000000 63.546 > 97 121 Cu 0.25000000000000 0.12500000000000 0.50000000000000 63.546 > 97 122 Cu 0.75000000000000 0.12500000000000 0.50000000000000 63.546 > 97 123 Cu 0.25000000000000 0.37500000000000 0.50000000000000 63.546 > 97 124 Cu 0.75000000000000 0.37500000000000 0.50000000000000 63.546 > 97 125 Cu 0.25000000000000 0.62500000000000 0.50000000000000 63.546 > 97 126 Cu 0.75000000000000 0.62500000000000 0.50000000000000 63.546 > 97 127 Cu 0.25000000000000 0.87500000000000 0.50000000000000 63.546 > 97 128 Cu 0.75000000000000 0.87500000000000 0.50000000000000 63.546 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1890479 0.0000000 -0.1425559 0.0000000 9.3697458 0.0000000 -0.1425565 0.0000000 4.9332208 -------------------------- Born effective charges -------------------------- 1 O -0.9172778 0.0000000 0.0598116 0.0000000 -2.5886727 0.0000000 0.2146518 0.0000000 -1.0470602 2 O -0.9172778 0.0000000 0.0598116 0.0000000 -2.5886727 0.0000000 0.2146518 0.0000000 -1.0470602 3 Na 1.0628739 0.0000000 -0.1109709 0.0000000 0.9925683 0.0000000 -0.1359412 0.0000000 1.5148670 4 Cu 0.7716818 0.0000000 -0.0086524 0.0000000 4.1847771 0.0000000 -0.2933624 0.0000000 0.5792535 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000008 (zzz) 0.00000008 (zzz) 0.00000008 (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 ... [ 20 20 10 ] 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: 1.16, Number of G-points: 297, Lambda: 0.29 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/1062) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 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 4.572 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 7.573 ( 0.000 0.000 0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 14.947 ( 0.000 0.000 0.000) 0.000 18.229 ( 0.000 0.000 0.000) 0.000 18.394 ( 0.000 0.000 0.000) 0.000 19.707 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/1062) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 18.776 -13.277 12.809) 26.323 0.652 ( 6.100 -33.034 4.763) 33.928 1.553 ( 1.209 -82.942 2.318) 82.984 4.838 ( -3.566 -9.173 -6.976) 12.064 5.213 ( 2.664 -19.132 -8.160) 20.970 5.893 ( 5.594 3.399 12.937) 14.499 7.555 ( -2.529 6.485 11.181) 13.171 9.610 ( 22.177 13.858 -2.817) 26.302 15.034 ( 0.027 -9.169 0.478) 9.182 18.363 ( -0.870 2.756 -0.844) 3.011 19.601 ( 1.035 10.131 -3.875) 10.896 20.974 ( -33.784 -18.716 -22.784) 44.841 ======================= Grid point 2 (3/1062) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 19.957 -14.495 13.312) 28.029 1.362 ( 4.668 -38.080 4.724) 38.655 3.043 ( 1.059 -77.462 2.398) 77.507 5.035 ( 0.189 -18.085 -13.260) 22.426 5.580 ( 2.284 -22.091 -14.391) 26.464 6.011 ( 5.697 -4.521 24.502) 25.558 7.435 ( -2.322 8.141 3.584) 9.193 9.474 ( 12.366 14.405 -1.880) 19.078 15.271 ( 0.156 -15.806 0.788) 15.826 18.275 ( -1.359 5.139 -1.800) 5.612 19.319 ( 0.163 20.006 0.186) 20.008 20.927 ( -16.201 -6.226 -12.250) 21.244 ======================= Grid point 3 (4/1062) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 20.494 -15.259 14.447) 29.352 2.163 ( 3.347 -44.026 3.997) 44.334 4.371 ( 0.546 -63.858 1.796) 63.886 5.308 ( 1.754 -19.108 -24.252) 30.925 5.927 ( 2.123 -21.689 2.576) 21.945 6.412 ( 5.861 -21.315 16.846) 27.794 7.269 ( -2.102 8.857 0.937) 9.151 9.265 ( 10.262 17.059 -1.714) 19.981 15.593 ( 0.411 -17.912 0.785) 17.934 18.142 ( -1.277 6.906 -2.861) 7.583 18.896 ( -0.275 26.193 2.417) 26.305 20.828 ( -10.603 0.238 -9.426) 14.189 ======================= Grid point 4 (5/1062) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 19.891 -15.792 15.869) 29.948 3.045 ( 2.445 -48.048 2.403) 48.170 5.152 ( -2.647 -19.681 -15.224) 25.022 5.686 ( 5.241 -33.387 -5.712) 34.275 6.532 ( 3.300 -38.807 8.044) 39.769 6.909 ( 2.130 -15.150 2.416) 15.489 7.156 ( 0.066 -5.578 4.068) 6.905 9.003 ( 10.152 19.384 -1.663) 21.944 15.894 ( 0.661 -12.772 0.686) 12.807 17.984 ( -0.670 7.624 -3.538) 8.432 18.421 ( -0.549 25.689 3.687) 25.958 20.659 ( -8.231 5.613 -8.753) 13.262 ======================= Grid point 5 (6/1062) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 18.293 -16.662 17.164) 30.114 3.938 ( 1.364 -45.772 -0.445) 45.795 5.240 ( -2.676 -8.477 -19.038) 21.011 6.301 ( 5.786 -26.443 2.469) 27.181 6.868 ( -0.661 6.589 -1.192) 6.729 7.302 ( 5.726 -31.646 6.187) 32.749 7.724 ( -0.255 -44.237 1.229) 44.255 8.713 ( 10.224 19.714 -1.202) 22.240 16.002 ( 0.511 4.077 1.646) 4.426 17.844 ( 0.124 5.414 -2.148) 5.826 18.045 ( -0.330 14.852 2.019) 14.993 20.412 ( -7.101 10.412 -9.023) 15.500 ======================= Grid point 6 (7/1062) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 16.082 -18.069 18.193) 30.267 4.580 ( -2.818 -22.038 -8.347) 23.733 5.435 ( 0.612 -26.471 -10.770) 28.585 6.669 ( 2.545 -4.313 -7.685) 9.173 6.834 ( 4.113 -7.770 5.728) 10.493 7.793 ( 3.822 -15.914 4.026) 16.854 8.407 ( 7.960 4.059 -2.053) 9.168 8.665 ( 1.231 -39.787 0.902) 39.816 15.748 ( -0.169 24.026 4.394) 24.425 17.726 ( 0.242 7.951 0.697) 7.985 17.972 ( 0.983 -6.259 -2.014) 6.648 20.089 ( -6.367 14.212 -9.673) 18.332 ======================= Grid point 7 (8/1062) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( 13.804 -19.205 19.085) 30.391 4.683 ( -6.654 -4.752 -13.539) 15.817 5.999 ( 3.451 -28.012 -2.249) 28.313 6.673 ( 1.548 -5.890 -10.331) 11.993 7.021 ( 7.779 -0.544 -0.838) 7.842 7.955 ( 1.366 -1.085 2.717) 3.229 8.442 ( 5.713 -6.706 2.715) 9.219 9.472 ( 0.570 -41.489 -1.797) 41.532 15.245 ( -0.737 31.496 6.644) 32.198 17.611 ( 0.681 4.989 1.505) 5.255 18.161 ( 1.491 -12.319 -2.700) 12.700 19.716 ( -5.558 16.073 -10.125) 19.792 ======================= Grid point 8 (9/1062) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( 12.300 -15.636 19.256) 27.686 4.649 ( -9.072 -7.558 -12.909) 17.495 6.277 ( 2.115 -2.731 0.922) 3.575 6.738 ( 10.109 11.838 -8.916) 17.939 7.104 ( 1.284 -18.053 -9.734) 20.550 8.051 ( -0.766 -7.866 5.402) 9.573 8.646 ( 3.044 -8.646 2.173) 9.420 10.124 ( 0.801 -30.020 -2.290) 30.118 14.711 ( -0.911 28.443 6.788) 29.256 17.578 ( 0.978 0.483 3.363) 3.535 18.363 ( 1.244 -8.930 -3.122) 9.542 19.347 ( -4.299 14.148 -9.283) 17.459 ======================= Grid point 9 (10/1062) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.327 ( 6.258 -0.612 7.675) 9.922 4.814 ( -6.100 -20.391 -1.266) 21.322 6.290 ( 0.610 0.705 -0.552) 1.083 6.411 ( 7.854 21.691 -6.742) 24.034 7.414 ( 0.505 -14.242 -6.576) 15.695 8.236 ( -0.674 -8.921 3.499) 9.606 8.796 ( 1.405 -4.758 1.062) 5.073 10.543 ( 0.572 -15.880 -1.591) 15.969 14.303 ( -0.634 17.323 4.379) 17.879 17.629 ( 0.886 -2.570 4.014) 4.848 18.443 ( 0.240 -0.776 -3.614) 3.704 19.091 ( -2.130 6.361 -5.306) 8.553 ======================= Grid point 10 (11/1062) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.354 ( 0.000 -0.000 -0.000) 0.001 5.038 ( 0.000 0.001 -0.000) 0.001 6.177 ( 0.000 -0.002 0.000) 0.002 6.286 ( 0.000 0.000 0.001) 0.001 7.530 ( 0.000 -0.000 0.000) 0.000 8.334 ( 0.000 -0.000 -0.000) 0.000 8.848 ( 0.000 -0.000 -0.000) 0.000 10.687 ( 0.000 0.000 0.000) 0.000 14.147 ( 0.000 -0.000 -0.000) 0.000 17.677 ( 0.000 -0.000 0.000) 0.000 18.420 ( 0.000 -0.000 0.000) 0.000 19.022 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 22 (12/1062) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( 12.259 -0.000 9.737) 15.656 0.438 ( 17.257 -0.000 17.532) 24.600 0.627 ( 27.543 -0.000 22.034) 35.272 4.574 ( 0.265 -0.000 -0.014) 0.265 4.998 ( 8.014 -0.000 -17.018) 18.811 6.157 ( 6.069 -0.000 11.422) 12.935 7.796 ( -30.749 0.000 46.943) 56.117 11.007 ( 55.714 -0.000 -95.287) 110.379 14.948 ( 0.422 -0.000 -0.545) 0.689 18.237 ( 0.409 -0.000 0.936) 1.022 18.376 ( -0.913 0.000 -2.141) 2.328 19.802 ( -15.370 0.000 27.546) 31.543 ======================= Grid point 23 (13/1062) ======================= q-point: ( 0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 11.058 -23.622 13.011) 29.147 0.952 ( 26.921 -9.314 13.911) 31.702 1.639 ( 4.178 -77.227 7.625) 77.715 4.719 ( -0.290 -11.369 -8.728) 14.335 5.155 ( 6.413 -17.262 -18.414) 26.042 6.192 ( 9.050 4.677 22.825) 24.995 7.609 ( -8.390 11.076 15.903) 21.118 10.038 ( 34.368 40.180 -11.690) 54.150 15.042 ( 0.122 -9.375 0.791) 9.409 18.322 ( -2.320 2.627 -2.253) 4.167 19.516 ( -0.143 -9.682 -22.353) 24.360 20.119 ( -39.197 -52.615 -5.207) 65.817 ======================= Grid point 24 (14/1062) ======================= q-point: ( 0.15 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 26.079 -11.038 15.811) 32.434 1.522 ( 7.073 -32.895 9.502) 34.963 3.101 ( 2.123 -75.584 4.594) 75.753 4.911 ( 3.767 -14.745 -18.287) 23.791 5.486 ( 1.850 -23.123 -12.706) 26.449 6.375 ( 10.425 -4.185 25.163) 27.557 7.424 ( -4.344 9.544 4.820) 11.541 9.691 ( 18.053 21.217 -4.683) 28.249 15.284 ( 0.288 -15.902 1.149) 15.946 18.222 ( -2.256 4.861 -3.131) 6.206 19.321 ( 0.138 18.191 -0.545) 18.200 20.484 ( -21.770 -21.551 -14.235) 33.779 ======================= Grid point 25 (15/1062) ======================= q-point: ( 0.20 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 24.184 -12.540 16.239) 31.715 2.278 ( 4.746 -40.419 7.242) 41.336 4.399 ( 0.766 -59.290 1.664) 59.318 5.130 ( 4.687 -18.933 -23.937) 30.878 5.932 ( 0.066 -30.163 -3.387) 30.353 6.728 ( 10.856 -12.517 20.583) 26.423 7.240 ( -2.803 8.585 1.129) 9.102 9.431 ( 13.370 19.297 -3.206) 23.694 15.609 ( 0.614 -17.931 1.000) 17.970 18.086 ( -1.648 6.374 -4.038) 7.723 18.917 ( -0.595 25.644 3.484) 25.886 20.530 ( -13.834 -6.606 -12.140) 19.555 ======================= Grid point 26 (16/1062) ======================= q-point: ( 0.25 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 21.209 -13.496 16.949) 30.319 3.123 ( 3.698 -44.973 4.346) 45.333 4.955 ( -1.103 -12.189 -19.655) 23.154 5.724 ( 4.597 -42.286 -2.572) 42.613 6.589 ( 1.878 -42.378 -3.544) 42.568 7.011 ( 1.011 4.762 9.460) 10.639 7.241 ( 5.967 -16.412 7.256) 18.911 9.155 ( 11.764 20.148 -2.806) 23.499 15.914 ( 0.907 -12.846 0.889) 12.908 17.936 ( -0.665 6.498 -4.322) 7.832 18.448 ( -0.963 25.861 4.607) 26.286 20.419 ( -10.240 2.161 -11.169) 15.306 ======================= Grid point 27 (17/1062) ======================= q-point: ( 0.30 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 17.569 -14.799 17.113) 28.645 3.966 ( 2.832 -40.689 0.394) 40.789 5.018 ( -1.769 -11.034 -20.026) 22.933 6.391 ( 4.224 -26.291 -0.131) 26.628 6.864 ( 1.936 4.244 -1.820) 5.007 7.462 ( 5.414 -34.550 7.720) 35.814 7.748 ( 2.027 -35.019 2.166) 35.144 8.858 ( 10.347 20.029 -2.543) 22.687 16.030 ( 0.717 3.581 2.299) 4.316 17.823 ( 0.236 3.289 -2.836) 4.349 18.059 ( -0.614 16.227 2.399) 16.415 20.195 ( -8.313 8.515 -10.990) 16.199 ======================= Grid point 28 (18/1062) ======================= q-point: ( 0.35 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( 13.371 -17.034 16.326) 27.120 4.461 ( -0.487 -11.923 -8.835) 14.848 5.348 ( 1.055 -35.545 -10.082) 36.962 6.628 ( 2.111 -0.053 -7.454) 7.748 6.976 ( 5.900 -11.647 5.762) 14.271 7.914 ( 6.501 -10.066 4.991) 12.981 8.472 ( 4.304 -12.772 -4.323) 14.154 8.707 ( 3.043 -23.146 0.662) 23.355 15.793 ( -0.107 23.461 5.590) 24.118 17.734 ( 0.102 7.128 0.494) 7.146 17.967 ( 1.154 -6.341 -2.594) 6.948 19.885 ( -6.985 12.947 -11.154) 18.461 ======================= Grid point 29 (19/1062) ======================= q-point: ( 0.40 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.865 ( 8.229 -20.275 13.950) 25.949 4.479 ( -1.444 0.065 -10.056) 10.159 6.022 ( 2.992 -32.585 -3.469) 32.905 6.609 ( 2.094 -4.711 -9.173) 10.523 7.173 ( 10.832 2.926 1.267) 11.291 7.997 ( 1.220 1.989 2.214) 3.217 8.530 ( 3.682 -6.236 0.215) 7.245 9.463 ( 0.640 -41.263 -2.004) 41.316 15.301 ( -0.798 31.528 7.662) 32.455 17.637 ( 0.696 3.760 1.728) 4.196 18.156 ( 1.597 -12.326 -3.420) 12.891 19.526 ( -5.732 14.657 -11.159) 19.293 ======================= Grid point 30 (20/1062) ======================= q-point: ( 0.45 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.334 ( -9.108 -21.294 -7.278) 24.276 4.434 ( 11.200 0.378 10.746) 15.526 6.310 ( 1.961 -1.062 -0.278) 2.248 6.848 ( 10.699 -2.868 -6.138) 12.664 7.066 ( 5.382 -0.545 -6.540) 8.487 8.063 ( -3.011 -8.586 3.731) 9.834 8.695 ( 1.743 -7.639 -0.077) 7.835 10.114 ( 0.790 -30.105 -2.472) 30.217 14.762 ( -1.001 29.202 7.194) 30.092 17.628 ( 1.036 -0.410 3.902) 4.058 18.350 ( 1.197 -8.248 -3.534) 9.052 19.190 ( -4.106 11.258 -9.939) 15.568 ======================= Grid point 31 (21/1062) ======================= q-point: ( 0.50 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.321 ( -5.780 -1.907 -10.314) 11.976 4.831 ( 3.390 -16.832 10.914) 20.345 6.287 ( 1.259 3.004 -1.951) 3.797 6.553 ( 11.688 25.507 2.015) 28.130 7.374 ( 1.475 -16.598 -5.245) 17.470 8.232 ( -2.656 -9.153 1.395) 9.633 8.808 ( 0.157 -4.027 -1.181) 4.199 10.535 ( 0.495 -16.195 -1.759) 16.298 14.334 ( -0.705 18.785 4.343) 19.293 17.678 ( 0.714 -1.120 3.787) 4.013 18.416 ( 0.244 -0.691 -2.695) 2.793 19.009 ( -1.685 1.570 -5.881) 6.316 ======================= Grid point 32 (22/1062) ======================= q-point: (-0.45 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.256 ( -5.988 -0.321 -9.722) 11.422 5.053 ( 1.167 0.291 1.564) 1.973 6.221 ( 1.775 1.772 1.711) 3.036 6.348 ( 4.973 6.258 8.125) 11.398 7.545 ( 1.080 -2.084 1.347) 2.706 8.308 ( -1.957 -0.158 -2.211) 2.957 8.828 ( -1.136 0.578 -2.131) 2.483 10.686 ( -0.079 -0.454 -0.230) 0.515 14.146 ( -0.073 1.784 -0.017) 1.785 17.668 ( -0.376 3.368 -1.153) 3.580 18.435 ( 0.352 -2.320 2.319) 3.299 19.019 ( 0.268 -4.263 -1.007) 4.388 ======================= Grid point 33 (23/1062) ======================= q-point: (-0.40 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.088 ( -8.990 8.149 -14.650) 19.022 4.932 ( 4.604 10.803 3.315) 12.202 6.258 ( -1.750 -1.650 -1.396) 2.781 6.467 ( 0.365 -10.693 15.419) 18.767 7.479 ( 0.271 12.355 7.307) 14.357 8.185 ( -1.674 8.778 -5.798) 10.653 8.748 ( -2.135 5.532 -2.956) 6.625 10.547 ( -0.581 15.510 1.278) 15.573 14.273 ( 0.517 -15.946 -3.962) 16.439 17.578 ( -0.891 3.238 -3.652) 4.961 18.473 ( -0.327 1.911 3.608) 4.095 19.173 ( 2.351 -11.233 4.553) 12.347 ======================= Grid point 34 (24/1062) ======================= q-point: (-0.35 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.673 ( -11.410 18.590 -17.748) 28.121 4.869 ( 5.857 4.252 8.917) 11.484 6.226 ( -2.514 3.845 -1.805) 4.935 6.735 ( -3.671 -8.542 13.622) 16.492 7.187 ( -0.184 21.165 9.815) 23.331 7.982 ( -2.027 6.425 -7.379) 9.992 8.566 ( -3.353 10.189 -3.768) 11.369 10.132 ( -0.715 29.877 1.892) 29.945 14.665 ( 0.754 -27.862 -5.715) 28.452 17.536 ( -0.832 -1.280 -2.671) 3.076 18.370 ( -1.141 9.618 2.476) 9.997 19.493 ( 3.949 -16.767 7.820) 18.918 ======================= Grid point 35 (25/1062) ======================= q-point: (-0.30 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -12.964 21.097 -16.938) 30.001 4.891 ( 5.186 5.388 10.208) 12.654 5.958 ( -3.539 23.915 0.923) 24.193 6.751 ( -1.088 5.846 10.506) 12.072 6.960 ( -2.267 8.845 2.896) 9.579 7.899 ( -2.517 -0.971 -2.918) 3.974 8.311 ( -6.184 9.472 -4.578) 12.203 9.479 ( -0.444 41.608 1.412) 41.634 15.200 ( 0.609 -31.612 -5.092) 32.025 17.588 ( -0.582 -5.831 -1.195) 5.980 18.161 ( -1.215 12.313 1.931) 12.522 19.882 ( 4.656 -17.417 8.060) 19.749 ======================= Grid point 36 (26/1062) ======================= q-point: (-0.25 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -14.158 20.353 -15.238) 29.101 4.682 ( 1.946 30.352 5.130) 30.843 5.521 ( -0.651 16.092 9.107) 18.502 6.652 ( -4.363 17.806 1.182) 18.371 6.795 ( 1.314 -1.445 1.428) 2.419 7.716 ( -1.809 20.683 -3.045) 20.984 8.278 ( -9.025 -13.327 -0.210) 16.097 8.649 ( -0.191 47.360 -0.400) 47.362 15.717 ( 0.177 -24.508 -2.997) 24.691 17.715 ( -0.267 -8.429 -0.639) 8.457 17.975 ( -0.709 6.055 1.355) 6.245 20.257 ( 4.856 -15.367 7.117) 17.618 ======================= Grid point 37 (27/1062) ======================= q-point: (-0.20 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -14.448 19.230 -13.073) 27.376 3.925 ( -0.791 48.929 0.317) 48.936 5.444 ( 2.401 4.388 15.241) 16.041 6.177 ( -5.146 27.041 -4.791) 27.940 6.904 ( 2.559 -4.993 0.949) 5.691 7.178 ( -4.396 32.530 -3.558) 33.018 7.722 ( 0.479 47.640 -0.777) 47.649 8.575 ( -7.861 -20.148 0.230) 21.629 15.984 ( -0.301 -4.329 -0.983) 4.449 17.859 ( -0.021 -7.563 1.399) 7.691 18.032 ( 0.120 -13.403 -1.401) 13.476 20.576 ( 4.794 -12.076 5.935) 14.284 ======================= Grid point 38 (28/1062) ======================= q-point: (-0.15 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -13.137 18.635 -10.260) 25.002 2.999 ( -1.286 50.039 -1.189) 50.070 5.306 ( 2.911 33.768 7.457) 34.704 5.671 ( -4.598 12.932 7.353) 15.570 6.382 ( -2.331 40.098 -11.041) 41.656 6.899 ( -0.449 33.055 2.416) 33.146 7.130 ( 0.600 -4.319 -2.840) 5.204 8.884 ( -6.020 -18.839 0.692) 19.789 15.881 ( -0.351 12.798 -0.380) 12.809 18.020 ( 0.445 -8.377 2.109) 8.650 18.399 ( 0.219 -25.671 -2.161) 25.762 20.826 ( 4.625 -8.552 4.850) 10.865 ======================= Grid point 39 (29/1062) ======================= q-point: (-0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -9.202 18.661 -6.418) 21.774 2.101 ( -1.212 46.132 -1.383) 46.169 4.353 ( -0.182 65.645 -0.704) 65.649 5.516 ( 0.902 24.771 19.334) 31.436 5.800 ( -3.228 5.676 -12.781) 14.352 6.261 ( -0.952 32.561 -4.828) 32.931 7.286 ( 0.771 -8.866 -0.368) 8.908 9.162 ( -3.909 -15.257 0.502) 15.758 15.583 ( -0.146 17.938 -0.300) 17.941 18.175 ( 0.488 -7.198 1.054) 7.291 18.883 ( 0.071 -26.483 -0.882) 26.498 21.009 ( 4.047 -5.679 3.621) 7.857 ======================= Grid point 40 (30/1062) ======================= q-point: (-0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 0.000 18.686 0.000) 18.686 1.301 ( 0.000 40.359 0.000) 40.359 3.024 ( 0.000 78.055 0.000) 78.055 5.108 ( 0.000 19.280 0.000) 19.280 5.670 ( 0.000 28.758 0.000) 28.758 5.799 ( -0.000 -2.640 -0.000) 2.640 7.435 ( -0.000 -7.038 -0.000) 7.038 9.381 ( -0.000 -10.452 -0.000) 10.452 15.266 ( 0.000 15.798 0.000) 15.798 18.294 ( -0.000 -5.248 -0.000) 5.248 19.316 ( -0.000 -20.421 -0.000) 20.421 21.126 ( -0.000 -3.792 -0.000) 3.792 ======================= Grid point 43 (31/1062) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 11.739 -0.000 9.333) 14.997 0.860 ( 16.411 -0.000 16.297) 23.128 1.274 ( 28.024 -0.000 23.720) 36.715 4.579 ( 0.514 -0.000 -0.017) 0.515 4.956 ( 12.781 -0.000 -26.216) 29.166 6.435 ( 9.281 -0.000 20.970) 22.932 7.742 ( -18.018 0.000 22.524) 28.844 10.967 ( 26.973 -0.000 -50.574) 57.317 14.950 ( 0.804 -0.000 -1.026) 1.303 18.259 ( 0.772 -0.000 1.771) 1.932 18.327 ( -1.681 0.000 -3.827) 4.180 19.828 ( -8.048 0.000 16.833) 18.658 ======================= Grid point 44 (32/1062) ======================= q-point: ( 0.15 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 13.988 -17.023 11.000) 24.626 1.452 ( 18.704 -28.678 11.313) 36.059 1.871 ( 13.137 -50.083 17.552) 54.672 4.667 ( 3.523 -8.234 -8.358) 12.251 5.079 ( 8.198 -15.120 -21.697) 27.687 6.577 ( 11.824 2.621 23.964) 26.851 7.593 ( -9.945 9.797 11.941) 18.371 10.364 ( 25.395 39.319 -18.129) 50.195 15.051 ( 0.337 -9.891 0.306) 9.901 18.254 ( -2.981 2.500 -3.084) 4.965 19.157 ( -9.468 -51.575 -25.161) 58.161 19.829 ( -13.365 -4.549 15.350) 20.855 ======================= Grid point 45 (33/1062) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 10.648 -26.666 6.279) 29.392 1.987 ( 23.735 -11.098 21.250) 33.735 3.194 ( 3.060 -71.732 6.540) 72.094 4.820 ( 7.795 -10.247 -20.071) 23.845 5.399 ( 1.298 -24.317 -11.019) 26.729 6.787 ( 13.100 -3.244 22.528) 26.261 7.393 ( -4.989 9.723 4.437) 11.795 9.916 ( 17.522 24.421 -7.450) 30.966 15.300 ( 0.411 -16.178 0.995) 16.214 18.151 ( -2.526 4.544 -3.896) 6.496 19.304 ( -0.485 12.383 -3.082) 12.770 20.051 ( -19.194 -24.163 -7.840) 31.839 ======================= Grid point 46 (34/1062) ======================= q-point: ( 0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 14.389 -24.072 2.614) 28.166 2.520 ( 14.290 -22.966 22.336) 35.079 4.416 ( 0.842 -50.040 -1.199) 50.061 5.019 ( 7.981 -22.649 -19.702) 31.062 5.887 ( -0.547 -33.040 -4.776) 33.388 7.103 ( 12.940 -9.174 18.146) 24.102 7.207 ( -2.677 8.614 1.431) 9.133 9.606 ( 13.488 20.698 -4.438) 25.101 15.629 ( 0.754 -18.079 0.938) 18.119 18.019 ( -1.633 5.733 -4.665) 7.569 18.941 ( -1.002 24.792 4.157) 25.158 20.194 ( -14.042 -11.090 -12.106) 21.604 ======================= Grid point 47 (35/1062) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 15.281 -14.646 10.165) 23.481 3.267 ( 7.380 -38.825 10.535) 40.900 4.770 ( 2.180 -7.589 -19.913) 21.421 5.778 ( 3.895 -44.418 -0.287) 44.589 6.563 ( 2.249 -42.347 -7.519) 43.068 7.065 ( -2.485 3.924 5.867) 7.483 7.478 ( 11.054 -13.380 11.439) 20.787 9.307 ( 11.457 21.012 -3.605) 24.203 15.939 ( 1.080 -13.122 1.006) 13.205 17.884 ( -0.538 5.260 -4.731) 7.095 18.476 ( -1.385 26.196 5.136) 26.731 20.145 ( -10.605 -0.715 -12.039) 16.060 ======================= Grid point 48 (36/1062) ======================= q-point: ( 0.35 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 9.346 -14.701 8.915) 19.569 4.068 ( 7.955 -34.616 5.840) 35.995 4.833 ( 1.579 -11.789 -17.413) 21.088 6.436 ( 2.773 -23.859 -1.452) 24.063 6.888 ( 3.567 -1.037 -2.595) 4.532 7.568 ( 0.191 -47.639 4.564) 47.858 7.860 ( 7.650 -16.958 5.404) 19.373 8.982 ( 9.319 21.311 -3.559) 23.530 16.067 ( 0.888 2.798 2.885) 4.116 17.798 ( 0.279 1.545 -3.486) 3.823 18.070 ( -0.904 17.377 2.558) 17.587 19.957 ( -8.369 6.781 -11.672) 15.883 ======================= Grid point 49 (37/1062) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( 0.900 -16.883 1.929) 17.016 4.496 ( 11.477 -3.010 3.130) 12.271 5.281 ( 1.421 -41.244 -8.505) 42.135 6.604 ( 3.178 1.191 -6.452) 7.290 7.102 ( 3.784 -15.361 4.495) 16.447 8.086 ( 8.704 -4.863 5.858) 11.565 8.469 ( 1.609 -22.846 -5.569) 23.570 8.758 ( 3.187 -11.505 -0.795) 11.965 15.849 ( -0.032 22.914 6.420) 23.796 17.737 ( -0.100 5.798 0.016) 5.799 17.959 ( 1.192 -6.114 -2.976) 6.904 19.671 ( -6.712 11.801 -11.404) 17.731 ======================= Grid point 50 (38/1062) ======================= q-point: ( 0.45 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.864 ( -8.574 -17.914 -9.482) 22.008 4.616 ( 15.499 2.065 12.055) 19.743 6.028 ( 2.490 -36.752 -4.216) 37.077 6.571 ( 3.080 -2.079 -7.391) 8.273 7.356 ( 9.607 -0.848 2.447) 9.950 8.040 ( 2.283 10.560 1.564) 10.917 8.558 ( 1.135 -7.369 -2.237) 7.784 9.454 ( 0.618 -40.953 -2.025) 41.008 15.362 ( -0.807 31.769 7.976) 32.765 17.664 ( 0.645 2.130 1.894) 2.922 18.146 ( 1.538 -12.342 -4.005) 13.066 19.335 ( -5.251 13.420 -11.051) 18.160 ======================= Grid point 51 (39/1062) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.011 ( -12.327 -14.093 -15.962) 24.604 4.810 ( 14.478 -2.452 17.193) 22.610 6.338 ( 2.192 0.388 -0.582) 2.301 6.889 ( 4.229 -28.868 -8.045) 30.265 7.194 ( 13.266 25.432 0.255) 28.685 8.029 ( -4.937 -8.775 2.289) 10.325 8.697 ( 0.020 -7.174 -2.415) 7.569 10.103 ( 0.689 -30.130 -2.406) 30.233 14.813 ( -1.009 30.077 6.869) 30.868 17.682 ( 0.998 -1.227 4.209) 4.496 18.334 ( 1.062 -7.829 -3.577) 8.673 19.038 ( -3.519 8.484 -9.763) 13.404 ======================= Grid point 52 (40/1062) ======================= q-point: ( 0.55 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.057 ( -10.655 -8.903 -14.688) 20.212 5.038 ( 7.914 -3.645 11.230) 14.214 6.295 ( 1.527 3.780 -1.097) 4.222 6.785 ( 12.331 26.254 6.632) 29.754 7.364 ( 2.665 -19.060 -3.588) 19.577 8.181 ( -4.388 -9.155 -0.541) 10.167 8.778 ( -1.201 -3.592 -3.259) 4.997 10.525 ( 0.380 -16.431 -1.720) 16.526 14.361 ( -0.703 20.175 3.866) 20.554 17.719 ( 0.413 1.256 2.927) 3.212 18.403 ( 0.420 -2.036 -0.854) 2.248 18.929 ( -1.241 -2.566 -6.275) 6.892 ======================= Grid point 53 (41/1062) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.021 ( -9.113 -1.734 -13.419) 16.313 5.103 ( 2.758 4.895 2.164) 6.021 6.243 ( 0.603 1.860 0.090) 1.957 6.579 ( 9.272 9.919 14.651) 19.976 7.587 ( 2.051 -3.733 2.295) 4.838 8.231 ( -4.034 0.022 -4.379) 5.954 8.776 ( -1.899 0.817 -3.721) 4.256 10.681 ( -0.128 -0.852 -0.372) 0.938 14.145 ( -0.117 3.375 -0.026) 3.377 17.646 ( -0.564 5.920 -1.718) 6.190 18.471 ( 0.512 -3.433 3.730) 5.095 19.012 ( 0.444 -8.583 -1.754) 8.772 ======================= Grid point 54 (42/1062) ======================= q-point: (-0.35 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( -9.105 11.249 -14.510) 20.494 5.009 ( 2.201 5.410 2.168) 6.230 6.228 ( -0.895 0.357 -0.713) 1.199 6.676 ( 5.436 -3.721 18.015) 19.181 7.555 ( 0.819 11.017 6.999) 13.078 8.073 ( -4.285 9.101 -8.175) 12.963 8.681 ( -2.123 6.061 -3.963) 7.546 10.549 ( -0.507 15.142 0.898) 15.177 14.246 ( 0.378 -14.793 -3.139) 15.127 17.535 ( -0.749 3.448 -2.870) 4.548 18.498 ( -0.368 3.385 2.940) 4.498 19.247 ( 2.162 -15.494 3.554) 16.043 ======================= Grid point 55 (43/1062) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( -9.544 20.947 -14.144) 27.017 5.000 ( 2.659 0.337 5.111) 5.772 6.176 ( -1.798 5.255 -1.335) 5.712 6.868 ( 2.322 -1.866 15.899) 16.175 7.274 ( 0.412 21.608 8.148) 23.097 7.847 ( -5.065 4.421 -9.607) 11.726 8.481 ( -2.556 11.755 -4.070) 12.700 10.138 ( -0.540 29.714 1.335) 29.749 14.629 ( 0.540 -27.472 -4.109) 27.783 17.503 ( -0.608 -1.883 -1.860) 2.716 18.374 ( -0.874 10.174 1.702) 10.352 19.611 ( 3.031 -18.831 5.652) 19.893 ======================= Grid point 56 (44/1062) ======================= q-point: (-0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -9.641 23.327 -11.980) 27.939 5.028 ( 2.725 4.392 5.964) 7.892 5.913 ( -2.627 21.693 0.133) 21.852 6.837 ( 0.128 8.008 9.204) 12.201 6.987 ( 1.415 15.874 2.941) 16.206 7.821 ( -4.006 -8.248 -2.776) 9.580 8.182 ( -4.316 14.816 -4.609) 16.105 9.484 ( -0.283 41.655 0.894) 41.665 15.169 ( 0.407 -31.775 -3.185) 31.936 17.571 ( -0.396 -6.339 -0.778) 6.399 18.160 ( -0.794 12.303 1.153) 12.382 20.006 ( 3.099 -18.460 5.183) 19.423 ======================= Grid point 57 (45/1062) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -8.669 22.641 -8.977) 25.853 4.738 ( 0.850 35.386 2.309) 35.471 5.577 ( -0.732 8.037 4.997) 9.492 6.609 ( -1.345 24.363 -0.190) 24.401 6.840 ( 1.167 -2.580 2.486) 3.768 7.677 ( -0.457 24.908 -1.691) 24.969 8.147 ( -6.278 -18.447 -0.898) 19.506 8.646 ( 0.012 49.310 -0.138) 49.310 15.698 ( 0.114 -24.830 -1.512) 24.877 17.707 ( -0.172 -8.679 -0.377) 8.689 17.976 ( -0.370 5.875 0.677) 5.926 20.367 ( 2.628 -16.181 3.768) 16.820 ======================= Grid point 58 (46/1062) ======================= q-point: (-0.15 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -5.758 21.353 -5.087) 22.693 3.919 ( -0.271 50.437 0.103) 50.438 5.582 ( 1.121 -1.749 6.791) 7.102 6.075 ( -2.150 31.445 -3.251) 31.685 6.954 ( 2.184 -5.837 0.668) 6.268 7.098 ( -2.527 35.417 -1.415) 35.535 7.723 ( 0.210 49.233 -0.254) 49.234 8.488 ( -3.011 -20.782 -0.050) 20.999 15.974 ( -0.099 -4.422 -0.326) 4.435 17.869 ( 0.009 -9.038 0.500) 9.052 18.024 ( 0.021 -12.352 -0.515) 12.363 20.665 ( 1.695 -13.061 2.071) 13.332 ======================= Grid point 59 (47/1062) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.000 20.228 0.000) 20.228 2.984 ( 0.000 50.747 0.000) 50.747 5.366 ( 0.000 45.154 0.000) 45.154 5.673 ( -0.000 -4.019 -0.000) 4.019 6.304 ( 0.000 45.143 0.000) 45.143 6.911 ( 0.000 39.473 0.000) 39.473 7.121 ( -0.000 -9.141 -0.000) 9.141 8.839 ( -0.000 -18.640 -0.000) 18.640 15.877 ( 0.000 12.821 0.000) 12.821 18.034 ( -0.000 -8.625 -0.000) 8.625 18.390 ( -0.000 -25.699 -0.000) 25.699 20.886 ( -0.000 -9.722 -0.000) 9.722 ======================= Grid point 64 (48/1062) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 10.902 -0.000 8.682) 13.937 1.250 ( 15.093 -0.000 14.343) 20.821 1.937 ( 26.952 -0.000 25.604) 37.175 4.589 ( 0.731 -0.000 -0.006) 0.731 4.911 ( 15.318 -0.000 -29.390) 33.143 6.813 ( 12.376 -0.000 22.147) 25.371 7.663 ( -13.634 0.000 13.492) 19.181 10.899 ( 16.464 -0.000 -35.727) 39.338 14.953 ( 1.110 -0.000 -1.391) 1.780 18.256 ( -2.199 0.000 -4.823) 5.300 18.293 ( 1.047 -0.000 2.418) 2.635 19.864 ( -5.855 0.000 13.738) 14.933 ======================= Grid point 65 (49/1062) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 14.133 -15.022 8.204) 22.197 1.731 ( 8.190 -53.093 8.458) 54.382 2.364 ( 21.096 -16.427 24.445) 36.228 4.663 ( 5.905 -6.307 -8.180) 11.898 5.010 ( 9.478 -12.816 -21.806) 27.011 6.989 ( 13.057 1.724 21.251) 25.001 7.538 ( -8.631 7.812 8.001) 14.126 10.510 ( 16.819 29.258 -19.167) 38.810 15.058 ( 0.628 -10.363 -0.351) 10.388 18.177 ( -2.871 2.601 -3.601) 5.289 18.861 ( -6.197 -43.259 -12.537) 45.463 19.815 ( -7.064 5.977 12.914) 15.887 ======================= Grid point 66 (50/1062) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 10.377 -21.843 6.221) 24.970 2.519 ( 19.174 -15.045 18.934) 30.863 3.316 ( 3.514 -63.249 8.176) 63.872 4.790 ( 12.719 -6.393 -19.138) 23.852 5.323 ( 1.114 -24.811 -9.065) 26.439 7.170 ( 10.640 -1.503 14.985) 18.439 7.372 ( -1.631 8.112 6.145) 10.307 10.088 ( 14.321 23.461 -8.618) 28.807 15.314 ( 0.543 -16.591 0.544) 16.609 18.074 ( -2.334 4.291 -4.300) 6.508 19.236 ( -2.504 -1.654 -6.796) 7.429 19.766 ( -13.229 -9.854 1.106) 16.533 ======================= Grid point 67 (51/1062) ======================= q-point: ( 0.30 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 7.862 -28.009 1.566) 29.134 2.979 ( 14.397 -13.767 19.922) 28.173 4.407 ( 2.387 -39.994 -4.929) 40.367 5.027 ( 12.024 -26.958 -11.283) 31.601 5.833 ( -0.408 -34.172 -4.843) 34.516 7.173 ( -1.348 6.187 -0.754) 6.377 7.461 ( 11.564 -5.336 15.283) 19.894 9.762 ( 11.969 20.951 -4.615) 24.567 15.650 ( 0.843 -18.386 0.710) 18.419 17.950 ( -1.406 5.112 -4.936) 7.244 18.963 ( -1.438 23.496 4.594) 23.984 19.880 ( -12.368 -11.990 -10.534) 20.191 ======================= Grid point 68 (52/1062) ======================= q-point: ( 0.35 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 4.962 -19.210 -0.377) 19.844 3.528 ( 7.973 -30.402 12.665) 33.886 4.702 ( 10.475 -4.359 -11.989) 16.506 5.838 ( 3.297 -42.833 1.140) 42.974 6.532 ( 3.424 -43.793 -8.045) 44.657 7.067 ( -2.435 1.831 3.181) 4.404 7.746 ( 9.504 -9.761 9.692) 16.720 9.443 ( 10.348 21.889 -3.383) 24.447 15.966 ( 1.169 -13.645 1.067) 13.737 17.832 ( -0.405 4.139 -4.900) 6.428 18.501 ( -1.746 26.694 5.361) 27.283 19.874 ( -9.628 -2.555 -11.606) 15.295 ======================= Grid point 69 (53/1062) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( -1.906 -13.379 -4.622) 14.283 4.290 ( 7.824 -38.635 7.279) 40.086 4.807 ( 12.060 -3.906 -5.045) 13.643 6.459 ( 2.424 -21.690 -1.792) 21.898 6.921 ( 4.015 -4.119 -3.057) 6.514 7.578 ( -1.862 -52.332 1.701) 52.392 8.037 ( 7.002 -10.819 5.301) 13.935 9.086 ( 8.461 23.444 -3.333) 25.146 16.111 ( 0.981 1.759 3.297) 3.864 17.766 ( 0.214 0.323 -3.999) 4.018 18.078 ( -1.125 18.282 2.480) 18.484 19.725 ( -7.435 5.438 -11.091) 14.417 ======================= Grid point 70 (54/1062) ======================= q-point: ( 0.45 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( -7.887 -13.417 -11.235) 19.195 4.847 ( 19.644 -0.073 14.803) 24.597 5.231 ( 1.446 -43.918 -6.857) 44.473 6.607 ( 4.504 1.799 -5.546) 7.368 7.174 ( 0.929 -18.363 3.328) 18.685 8.273 ( 7.244 -5.094 4.868) 10.106 8.428 ( 0.844 -23.700 -5.696) 24.390 8.791 ( 2.861 -5.300 -1.886) 6.311 15.911 ( 0.015 22.481 6.688) 23.455 17.731 ( -0.286 3.846 -0.673) 3.914 17.949 ( 1.089 -5.430 -3.012) 6.304 19.470 ( -5.724 10.936 -10.442) 16.168 ======================= Grid point 71 (55/1062) ======================= q-point: ( 0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( -10.930 -14.165 -14.989) 23.341 5.029 ( 17.777 2.618 16.778) 24.584 6.023 ( 2.064 -39.792 -4.182) 40.065 6.567 ( 4.276 0.571 -5.637) 7.098 7.496 ( 4.771 -10.083 2.678) 11.472 8.102 ( 4.220 22.946 0.831) 23.346 8.528 ( -0.944 -9.276 -3.997) 10.144 9.444 ( 0.487 -40.678 -1.876) 40.724 15.423 ( -0.763 32.211 7.465) 33.073 17.692 ( 0.549 0.157 2.008) 2.088 18.129 ( 1.339 -12.365 -4.316) 13.165 19.162 ( -4.297 12.570 -9.823) 16.521 ======================= Grid point 72 (56/1062) ======================= q-point: ( 0.55 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( -11.417 -13.818 -15.208) 23.507 5.184 ( 13.757 2.533 15.080) 20.569 6.367 ( 2.217 1.236 -0.528) 2.593 6.876 ( 3.652 -31.814 -6.831) 32.743 7.426 ( 13.489 26.928 3.152) 30.282 7.954 ( -6.615 -8.859 1.021) 11.104 8.651 ( -1.646 -7.035 -4.368) 8.442 10.091 ( 0.522 -30.123 -2.089) 30.200 14.858 ( -0.913 30.960 5.841) 31.519 17.736 ( 0.856 -1.728 4.120) 4.549 18.318 ( 0.911 -8.059 -3.125) 8.691 18.901 ( -2.741 6.307 -8.757) 11.135 ======================= Grid point 73 (57/1062) ======================= q-point: (-0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.755 ( -10.320 -10.952 -13.498) 20.215 5.258 ( 8.053 5.760 8.362) 12.960 6.310 ( 1.379 4.367 -0.610) 4.620 7.045 ( 11.079 23.792 9.163) 27.799 7.390 ( 3.885 -20.608 -1.828) 21.051 8.087 ( -5.840 -8.531 -2.351) 10.602 8.713 ( -2.240 -3.691 -4.588) 6.300 10.515 ( 0.255 -16.590 -1.448) 16.655 14.384 ( -0.607 21.349 3.021) 21.570 17.745 ( 0.112 4.106 1.739) 4.460 18.414 ( 0.663 -4.317 1.326) 4.565 18.853 ( -0.924 -5.768 -6.308) 8.597 ======================= Grid point 74 (58/1062) ======================= q-point: (-0.35 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( -8.635 -2.463 -11.841) 14.861 5.170 ( 3.086 9.936 1.818) 10.562 6.250 ( 0.384 2.590 -0.067) 2.619 6.876 ( 9.834 9.853 15.575) 20.889 7.647 ( 2.749 -4.522 2.320) 5.778 8.102 ( -6.068 0.663 -6.227) 8.720 8.706 ( -2.010 0.539 -4.150) 4.643 10.675 ( -0.127 -1.152 -0.371) 1.217 14.143 ( -0.117 4.615 -0.025) 4.616 17.622 ( -0.518 7.478 -1.571) 7.659 18.515 ( 0.450 -3.051 3.777) 4.877 19.001 ( 0.461 -12.788 -1.949) 12.944 ======================= Grid point 75 (59/1062) ======================= q-point: (-0.30 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( -7.076 12.399 -10.536) 17.743 5.050 ( 1.078 3.929 1.264) 4.266 6.214 ( -0.358 1.730 -0.374) 1.806 6.950 ( 7.691 -0.488 17.291) 18.931 7.628 ( 1.012 10.094 4.922) 11.276 7.903 ( -6.407 10.446 -9.843) 15.718 8.615 ( -1.511 6.196 -3.552) 7.300 10.549 ( -0.348 14.846 0.519) 14.859 14.226 ( 0.229 -13.970 -2.008) 14.115 17.503 ( -0.495 3.464 -1.821) 3.944 18.516 ( -0.291 4.619 1.886) 4.998 19.304 ( 1.524 -18.592 2.279) 18.793 ======================= Grid point 76 (60/1062) ======================= q-point: (-0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( -5.697 22.457 -8.015) 24.515 5.058 ( 0.815 -2.046 2.233) 3.137 6.147 ( -0.791 6.467 -0.617) 6.544 7.082 ( 5.502 5.351 15.089) 16.929 7.346 ( 0.871 20.497 4.751) 21.059 7.651 ( -7.045 1.700 -11.274) 13.402 8.418 ( -1.282 12.697 -2.701) 13.044 10.141 ( -0.291 29.586 0.687) 29.596 14.606 ( 0.283 -27.254 -2.144) 27.340 17.482 ( -0.321 -2.251 -0.957) 2.467 18.376 ( -0.474 10.528 0.863) 10.574 19.689 ( 1.646 -20.147 2.964) 20.430 ======================= Grid point 77 (61/1062) ======================= q-point: (-0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -3.662 24.825 -4.403) 25.477 5.091 ( 0.765 3.346 1.915) 3.930 5.885 ( -0.935 21.219 -0.028) 21.240 6.908 ( 0.270 10.611 4.002) 11.344 7.036 ( 1.505 20.868 1.268) 20.960 7.741 ( -2.538 -16.575 -1.483) 16.834 8.105 ( -1.352 19.302 -1.943) 19.446 9.487 ( -0.098 41.669 0.305) 41.670 15.154 ( 0.144 -31.886 -1.082) 31.905 17.562 ( -0.141 -6.573 -0.271) 6.580 18.159 ( -0.276 12.295 0.383) 12.304 20.072 ( 1.087 -19.028 1.787) 19.143 ======================= Grid point 78 (62/1062) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 0.000 23.666 0.000) 23.666 4.755 ( 0.000 36.993 0.000) 36.993 5.594 ( 0.000 5.102 0.000) 5.102 6.600 ( 0.000 26.940 0.000) 26.940 6.863 ( -0.000 -2.776 -0.000) 2.776 7.667 ( 0.000 27.256 0.000) 27.256 8.090 ( -0.000 -21.030 -0.000) 21.030 8.646 ( 0.000 49.708 0.000) 49.708 15.692 ( -0.000 -24.943 -0.000) 24.943 17.703 ( -0.000 -8.757 -0.000) 8.757 17.976 ( 0.000 5.806 0.000) 5.806 20.406 ( -0.000 -16.474 -0.000) 16.474 ======================= Grid point 85 (63/1062) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 9.791 -0.000 7.813) 12.526 1.595 ( 13.404 -0.000 11.784) 17.847 2.568 ( 21.989 -0.000 25.921) 33.991 4.602 ( 0.893 -0.000 0.020) 0.893 4.896 ( 18.334 -0.000 -28.611) 33.981 7.204 ( 12.029 -0.000 18.725) 22.256 7.580 ( -9.379 0.000 8.027) 12.345 10.814 ( 10.586 -0.000 -26.813) 28.827 14.958 ( 1.312 -0.000 -1.604) 2.072 18.172 ( -2.414 0.000 -5.128) 5.668 18.336 ( 1.208 -0.000 2.813) 3.062 19.901 ( -4.955 0.000 11.941) 12.928 ======================= Grid point 86 (64/1062) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 12.963 -21.629 4.273) 25.576 1.920 ( 5.681 -46.746 9.866) 48.112 2.889 ( 15.579 -6.842 22.887) 28.519 4.701 ( 6.944 -7.921 -4.891) 11.614 4.981 ( 13.594 -8.623 -20.973) 26.439 7.327 ( 5.205 3.368 12.295) 13.769 7.515 ( 0.366 4.213 8.075) 9.115 10.555 ( 11.080 20.339 -16.457) 28.413 15.064 ( 0.879 -10.627 -0.837) 10.696 18.099 ( -2.497 2.638 -4.075) 5.459 18.707 ( -3.381 -31.175 -5.518) 31.839 19.832 ( -5.293 8.802 10.826) 14.923 ======================= Grid point 87 (65/1062) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 9.404 -17.825 4.901) 20.741 2.904 ( 10.723 -25.164 12.758) 30.182 3.436 ( 1.555 -48.240 7.008) 48.771 4.890 ( 19.519 -5.216 -11.404) 23.200 5.267 ( 1.824 -23.928 -7.429) 25.121 7.264 ( -1.480 5.614 -0.022) 5.806 7.576 ( 9.650 0.520 13.091) 16.272 10.207 ( 10.974 20.514 -7.438) 24.425 15.327 ( 0.667 -17.026 0.075) 17.039 17.999 ( -1.956 4.088 -4.490) 6.380 19.113 ( -4.271 -14.672 -6.874) 16.756 19.642 ( -7.796 7.476 5.484) 12.114 ======================= Grid point 88 (66/1062) ======================= q-point: ( 0.35 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 5.981 -23.969 0.471) 24.708 3.265 ( 3.680 -11.641 9.175) 15.272 4.435 ( 6.004 -42.205 -1.797) 42.668 5.188 ( 16.909 -21.338 -2.276) 27.321 5.787 ( 0.076 -34.821 -4.334) 35.090 7.149 ( 0.317 5.539 -2.592) 6.124 7.733 ( 7.732 -4.103 9.912) 13.223 9.895 ( 10.107 20.420 -3.300) 23.022 15.668 ( 0.878 -18.821 0.455) 18.847 17.884 ( -1.129 4.583 -4.919) 6.817 18.982 ( -1.834 21.569 4.902) 22.195 19.618 ( -9.790 -9.809 -8.521) 16.269 ======================= Grid point 89 (67/1062) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( -0.713 -14.692 -6.028) 15.896 3.664 ( 0.990 -30.390 2.344) 30.497 4.906 ( 19.485 -5.488 3.583) 20.557 5.901 ( 2.906 -38.292 2.163) 38.463 6.521 ( 4.273 -46.676 -7.053) 47.399 7.056 ( -0.884 2.345 0.425) 2.542 7.931 ( 4.648 -8.141 5.366) 10.801 9.570 ( 9.238 22.560 -1.897) 24.451 15.994 ( 1.156 -14.377 1.075) 14.464 17.780 ( -0.320 3.271 -4.792) 5.811 18.522 ( -1.973 27.363 5.238) 27.929 19.635 ( -7.772 -3.471 -10.214) 13.296 ======================= Grid point 90 (68/1062) ======================= q-point: ( 0.45 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( -6.788 -9.623 -11.664) 16.575 4.371 ( 1.650 -43.455 -1.899) 43.528 5.129 ( 21.060 1.275 12.087) 24.316 6.481 ( 2.480 -21.317 -1.704) 21.528 6.955 ( 4.007 -3.469 -3.009) 6.094 7.554 ( -1.837 -53.559 -0.356) 53.592 8.143 ( 1.820 -10.476 1.924) 10.806 9.191 ( 8.223 25.417 -1.573) 26.760 16.158 ( 0.960 0.568 3.393) 3.571 17.730 ( 0.070 -0.353 -4.180) 4.195 18.082 ( -1.202 18.940 2.161) 19.101 19.524 ( -5.853 4.538 -9.443) 12.001 ======================= Grid point 91 (69/1062) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -9.203 -10.847 -14.200) 20.099 5.196 ( 1.211 -44.834 -5.222) 45.153 5.315 ( 19.690 1.687 17.372) 26.312 6.640 ( 5.997 2.098 -4.908) 8.028 7.198 ( -1.476 -19.660 2.716) 19.902 8.286 ( -2.666 -16.325 -7.110) 18.004 8.484 ( 5.180 -20.601 3.923) 21.601 8.823 ( 4.005 5.233 -1.820) 6.837 15.972 ( 0.023 22.230 6.202) 23.079 17.716 ( -0.380 1.405 -1.329) 1.971 17.938 ( 0.867 -4.338 -2.623) 5.143 19.302 ( -4.316 10.408 -8.481) 14.102 ======================= Grid point 92 (70/1062) ======================= q-point: ( 0.55 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( -9.693 -12.794 -14.016) 21.310 5.442 ( 15.093 4.384 15.086) 21.785 6.020 ( 2.115 -40.671 -2.810) 40.822 6.598 ( 5.677 2.451 -4.220) 7.486 7.547 ( -0.939 -17.031 2.040) 17.178 8.178 ( 4.622 28.108 -0.379) 28.488 8.467 ( -1.372 -7.891 -4.001) 8.953 9.434 ( 0.285 -40.581 -1.562) 40.612 15.476 ( -0.648 32.765 6.104) 33.335 17.718 ( 0.422 -1.976 1.983) 2.831 18.108 ( 1.032 -12.362 -4.130) 13.075 19.021 ( -3.098 12.184 -7.646) 14.714 ======================= Grid point 93 (71/1062) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( -8.998 -13.587 -12.121) 20.310 5.504 ( 10.821 7.236 11.402) 17.305 6.395 ( 1.878 1.495 -0.430) 2.438 6.885 ( 4.493 -31.950 -4.563) 32.585 7.657 ( 11.224 25.857 4.532) 28.550 7.847 ( -7.464 -9.451 -0.048) 12.043 8.568 ( -2.922 -7.180 -5.418) 9.458 10.081 ( 0.332 -30.119 -1.544) 30.160 14.893 ( -0.702 31.716 4.231) 32.005 17.784 ( 0.617 -1.727 3.414) 3.875 18.306 ( 0.750 -9.247 -2.181) 9.530 18.791 ( -1.910 5.163 -6.856) 8.793 ======================= Grid point 94 (72/1062) ======================= q-point: (-0.35 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( -7.420 -11.312 -9.510) 16.537 5.432 ( 5.801 12.315 5.058) 14.522 6.325 ( 0.989 4.948 -0.350) 5.058 7.290 ( 8.959 17.596 9.258) 21.808 7.445 ( 4.145 -19.197 -0.250) 19.641 7.959 ( -6.586 -6.668 -3.932) 10.164 8.632 ( -2.421 -4.503 -4.377) 6.730 10.507 ( 0.141 -16.685 -0.967) 16.714 14.399 ( -0.414 22.190 1.914) 22.276 17.757 ( -0.045 6.507 0.750) 6.550 18.445 ( 0.726 -6.393 2.667) 6.965 18.784 ( -0.694 -7.993 -5.452) 9.700 ======================= Grid point 95 (73/1062) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( -5.206 -2.506 -6.855) 8.965 5.224 ( 1.951 13.260 1.000) 13.440 6.254 ( 0.212 3.090 -0.054) 3.098 7.152 ( 7.747 8.465 12.359) 16.865 7.711 ( 3.282 -3.810 1.153) 5.159 7.934 ( -7.223 1.092 -6.477) 9.763 8.645 ( -1.333 -0.039 -2.859) 3.155 10.671 ( -0.078 -1.334 -0.229) 1.356 14.141 ( -0.072 5.396 -0.015) 5.396 17.603 ( -0.301 8.265 -0.910) 8.321 18.551 ( 0.248 -1.876 2.400) 3.057 18.991 ( 0.295 -16.190 -1.331) 16.247 ======================= Grid point 96 (74/1062) ======================= q-point: (-0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.408 ( -2.706 12.872 -3.861) 13.708 5.069 ( 0.356 3.911 0.429) 3.951 6.208 ( -0.093 2.302 -0.119) 2.307 7.201 ( 5.502 -1.523 10.613) 12.051 7.660 ( -0.333 8.882 -2.015) 9.114 7.727 ( -4.216 14.429 -4.021) 15.561 8.574 ( -0.550 6.116 -1.470) 6.314 10.548 ( -0.124 14.682 0.168) 14.683 14.216 ( 0.076 -13.542 -0.690) 13.560 17.486 ( -0.173 3.438 -0.623) 3.499 18.524 ( -0.110 5.298 0.647) 5.339 19.335 ( 0.549 -20.207 0.787) 20.230 ======================= Grid point 97 (75/1062) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 0.000 23.003 0.000) 23.003 5.074 ( -0.000 -2.737 -0.000) 2.737 6.138 ( 0.000 6.884 0.000) 6.884 7.242 ( 0.000 16.725 0.000) 16.725 7.396 ( 0.000 16.472 0.000) 16.472 7.478 ( -0.000 -4.468 -0.000) 4.468 8.395 ( 0.000 12.961 0.000) 12.961 10.142 ( 0.000 29.538 0.000) 29.538 14.598 ( -0.000 -27.185 -0.000) 27.185 17.475 ( -0.000 -2.375 -0.000) 2.375 18.376 ( 0.000 10.650 0.000) 10.650 19.716 ( -0.000 -20.598 -0.000) 20.598 ======================= Grid point 106 (76/1062) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 8.455 -0.000 6.761) 10.826 1.885 ( 11.404 -0.000 8.746) 14.372 3.060 ( 11.422 -0.000 20.850) 23.774 4.617 ( 0.978 -0.000 0.052) 0.980 4.979 ( 24.082 -0.000 -21.817) 32.495 7.418 ( -3.970 0.000 6.056) 7.241 7.622 ( 7.695 -0.000 10.107) 12.703 10.736 ( 7.151 -0.000 -18.785) 20.100 14.964 ( 1.387 -0.000 -1.652) 2.157 18.088 ( -2.327 0.000 -4.864) 5.392 18.382 ( 1.244 -0.000 2.924) 3.178 19.932 ( -4.500 0.000 10.287) 11.229 ======================= Grid point 107 (77/1062) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 9.892 -39.606 1.971) 40.870 2.099 ( 5.743 -25.505 8.970) 27.640 3.221 ( 4.021 -2.032 13.601) 14.328 4.765 ( 2.789 -14.323 0.127) 14.593 5.098 ( 24.528 -1.254 -14.483) 28.513 7.346 ( -3.814 4.719 0.466) 6.086 7.722 ( 8.614 1.316 9.398) 12.817 10.567 ( 7.730 14.123 -11.311) 19.676 15.070 ( 1.014 -10.733 -1.066) 10.834 18.024 ( -2.103 2.449 -4.224) 5.316 18.636 ( -1.738 -22.189 -1.702) 22.322 19.849 ( -4.491 10.068 8.978) 14.217 ======================= Grid point 108 (78/1062) ======================= q-point: ( 0.35 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 7.650 -14.533 2.764) 16.655 3.100 ( 3.547 -27.672 6.077) 28.552 3.470 ( -1.848 -41.651 1.511) 41.719 5.148 ( 11.114 -19.110 1.523) 22.159 5.282 ( 15.553 -8.747 -6.032) 18.836 7.231 ( 0.014 4.868 -3.725) 6.130 7.798 ( 5.797 0.463 7.424) 9.430 10.300 ( 8.473 17.435 -4.384) 19.875 15.337 ( 0.734 -17.400 -0.241) 17.417 17.930 ( -1.550 3.905 -4.372) 6.063 18.994 ( -3.994 -17.838 -4.207) 18.758 19.598 ( -5.041 15.790 5.563) 17.484 ======================= Grid point 109 (79/1062) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 3.150 -17.972 -2.543) 18.422 3.290 ( -3.355 -10.661 -0.658) 11.196 4.542 ( 6.088 -53.656 2.565) 54.061 5.499 ( 19.738 -8.900 6.081) 22.490 5.757 ( 0.921 -35.749 -3.216) 35.905 7.136 ( 2.873 4.634 -5.271) 7.584 7.877 ( 1.990 -2.963 4.448) 5.703 10.018 ( 8.390 19.580 -1.068) 21.328 15.685 ( 0.837 -19.309 0.258) 19.329 17.824 ( -0.865 4.183 -4.531) 6.228 18.999 ( -2.099 18.812 5.116) 19.608 19.416 ( -6.960 -5.517 -6.788) 11.179 ======================= Grid point 110 (80/1062) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( -4.807 -7.949 -10.477) 14.002 3.665 ( -0.073 -32.412 -1.125) 32.431 5.290 ( 18.789 -13.729 10.501) 25.531 5.974 ( 3.206 -29.350 3.692) 29.755 6.530 ( 3.645 -49.159 -4.645) 49.512 7.055 ( 2.717 4.077 -2.965) 5.727 7.984 ( -1.551 -7.251 0.812) 7.459 9.695 ( 7.956 22.752 -0.020) 24.103 16.021 ( 1.023 -15.207 0.994) 15.274 17.733 ( -0.271 2.709 -4.275) 5.068 18.538 ( -1.973 28.175 4.662) 28.626 19.445 ( -5.548 -3.849 -8.174) 10.602 ======================= Grid point 111 (81/1062) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( -7.649 -7.138 -13.020) 16.703 4.364 ( 0.918 -42.923 -2.658) 43.015 5.589 ( 19.506 0.985 15.845) 25.150 6.503 ( 2.282 -22.713 -1.492) 22.876 6.992 ( 4.083 -0.069 -2.169) 4.624 7.515 ( -1.266 -53.275 -2.800) 53.364 8.129 ( -3.582 -11.890 -1.244) 12.480 9.309 ( 7.326 26.160 0.234) 27.167 16.202 ( 0.809 -0.611 3.028) 3.193 17.692 ( -0.071 -0.558 -3.796) 3.837 18.082 ( -1.077 19.354 1.646) 19.454 19.370 ( -4.033 4.018 -7.061) 9.070 ======================= Grid point 112 (82/1062) ======================= q-point: ( 0.55 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( -7.763 -9.733 -12.345) 17.533 5.171 ( 0.847 -44.892 -3.542) 45.040 5.752 ( 15.621 3.457 15.719) 22.429 6.705 ( 8.118 2.115 -4.238) 9.398 7.181 ( -3.790 -19.249 2.518) 19.779 8.146 ( -4.893 -16.347 -8.746) 19.174 8.572 ( 1.736 -35.462 2.964) 35.628 8.885 ( 5.050 19.971 -0.640) 20.610 16.025 ( 0.009 22.163 4.847) 22.687 17.696 ( -0.344 -1.028 -1.549) 1.890 17.928 ( 0.581 -3.160 -1.890) 3.728 19.180 ( -2.794 10.162 -5.876) 12.066 ======================= Grid point 113 (83/1062) ======================= q-point: ( 0.60 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -6.761 -12.282 -9.973) 17.206 5.740 ( 7.889 -1.022 8.183) 11.412 6.052 ( 3.448 -33.147 1.162) 33.346 6.666 ( 7.018 3.927 -2.532) 8.431 7.512 ( -4.743 -17.975 0.723) 18.604 8.218 ( 1.844 9.906 -2.232) 10.320 8.432 ( 0.523 9.583 -1.531) 9.719 9.425 ( 0.105 -40.702 -1.059) 40.716 15.515 ( -0.443 33.278 4.002) 33.521 17.741 ( 0.269 -3.911 1.601) 4.235 18.086 ( 0.649 -12.282 -3.150) 12.696 18.924 ( -1.838 12.151 -4.812) 13.198 ======================= Grid point 114 (84/1062) ======================= q-point: ( 0.65 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -5.037 -13.404 -6.812) 15.857 5.719 ( 5.784 10.312 6.136) 13.321 6.415 ( 1.104 1.260 -0.266) 1.696 6.926 ( 4.217 -30.973 -2.003) 31.323 7.735 ( -5.991 -9.231 -0.278) 11.008 7.846 ( 7.405 24.588 3.884) 25.971 8.470 ( -3.055 -8.266 -4.595) 9.939 10.073 ( 0.156 -30.128 -0.821) 30.139 14.915 ( -0.383 32.225 2.216) 32.304 17.817 ( 0.316 -1.341 1.970) 2.404 18.300 ( 0.472 -11.051 -1.020) 11.108 18.717 ( -1.016 5.081 -3.896) 6.483 ======================= Grid point 115 (85/1062) ======================= q-point: (-0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.362 ( -2.712 -11.259 -3.446) 12.083 5.526 ( 2.084 15.710 1.681) 15.937 6.333 ( 0.367 5.335 -0.122) 5.349 7.476 ( 5.076 -4.056 3.867) 7.561 7.501 ( 1.987 -1.979 1.926) 3.402 7.827 ( -4.574 -3.436 -3.560) 6.738 8.571 ( -1.127 -5.597 -1.906) 6.019 10.502 ( 0.045 -16.730 -0.339) 16.733 14.407 ( -0.147 22.627 0.654) 22.637 17.760 ( -0.037 7.800 0.184) 7.802 18.477 ( 0.360 -7.445 1.609) 7.625 18.737 ( -0.312 -9.225 -2.485) 9.560 ======================= Grid point 116 (86/1062) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( -0.000 -2.436 -0.000) 2.436 5.244 ( 0.000 14.386 0.000) 14.386 6.255 ( 0.000 3.263 0.000) 3.263 7.289 ( 0.000 7.255 0.000) 7.255 7.781 ( 0.000 4.312 0.000) 4.312 7.791 ( -0.000 -5.855 -0.000) 5.855 8.620 ( -0.000 -0.343 -0.000) 0.343 10.669 ( -0.000 -1.395 -0.000) 1.395 14.140 ( 0.000 5.662 0.000) 5.662 17.597 ( 0.000 8.501 0.000) 8.501 18.564 ( -0.000 -1.227 -0.000) 1.227 18.987 ( -0.000 -17.567 -0.000) 17.567 ======================= Grid point 127 (87/1062) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 6.943 -0.000 5.565) 8.898 2.111 ( 9.055 -0.000 5.316) 10.500 3.285 ( -0.256 0.000 9.259) 9.263 4.633 ( 0.968 -0.000 0.078) 0.971 5.255 ( 28.959 -0.000 -8.116) 30.075 7.356 ( -4.297 0.000 -1.388) 4.515 7.833 ( 7.047 -0.000 6.149) 9.352 10.694 ( 5.463 -0.000 -10.768) 12.074 14.970 ( 1.327 -0.000 -1.538) 2.032 18.011 ( -1.991 0.000 -4.188) 4.637 18.428 ( 1.157 -0.000 2.750) 2.984 19.953 ( -4.116 0.000 8.497) 9.441 ======================= Grid point 128 (88/1062) ======================= q-point: ( 0.35 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 6.743 -50.427 2.099) 50.919 2.253 ( 5.394 -11.629 4.795) 13.686 3.282 ( -4.360 1.040 2.589) 5.176 4.788 ( 0.875 -15.647 -0.309) 15.674 5.455 ( 28.099 0.500 -0.213) 28.105 7.283 ( -1.431 3.214 -4.636) 5.820 7.886 ( 4.256 1.463 3.966) 5.998 10.593 ( 5.955 10.298 -5.490) 13.101 15.075 ( 0.999 -10.766 -1.059) 10.864 17.956 ( -1.656 2.295 -3.805) 4.741 18.611 ( -0.807 -16.206 0.149) 16.227 19.860 ( -3.866 10.748 7.106) 13.453 ======================= Grid point 129 (89/1062) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 4.887 -11.504 -0.388) 12.505 3.132 ( -2.531 -11.560 -0.193) 11.836 3.452 ( -0.395 -56.076 0.526) 56.080 5.182 ( 0.493 -26.634 -1.626) 26.689 5.670 ( 24.503 0.338 7.807) 25.719 7.199 ( 2.771 3.046 -7.620) 8.662 7.891 ( 0.356 1.340 2.516) 2.872 10.392 ( 6.593 15.125 -1.115) 16.537 15.345 ( 0.701 -17.685 -0.362) 17.703 17.871 ( -1.141 3.783 -3.795) 5.479 18.912 ( -2.915 -16.750 -1.927) 17.111 19.579 ( -3.585 19.143 4.448) 19.977 ======================= Grid point 130 (90/1062) ======================= q-point: ( 0.45 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -1.259 -9.818 -7.024) 12.137 3.220 ( -2.710 -13.981 -1.541) 14.325 4.647 ( 3.979 -61.333 2.748) 61.523 5.719 ( 1.649 -29.855 -2.120) 29.976 5.912 ( 16.761 -6.824 11.873) 21.644 7.144 ( 6.664 3.103 -8.365) 11.136 7.881 ( -4.126 -1.533 0.618) 4.444 10.134 ( 6.505 18.776 0.708) 19.884 15.699 ( 0.701 -19.767 0.136) 19.780 17.774 ( -0.613 3.936 -3.685) 5.426 19.014 ( -2.113 14.973 5.217) 15.996 19.271 ( -4.301 0.133 -5.655) 7.106 ======================= Grid point 131 (91/1062) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -5.950 -4.188 -11.029) 13.213 3.659 ( 0.449 -33.140 -0.746) 33.152 5.621 ( 11.300 -31.715 7.605) 34.516 6.086 ( 5.341 -13.406 6.937) 16.011 6.537 ( 0.530 -47.469 -1.423) 47.493 7.101 ( 8.850 4.909 -5.715) 11.622 7.906 ( -7.307 -6.871 -1.998) 10.227 9.810 ( 5.929 22.565 0.993) 23.352 16.044 ( 0.768 -15.979 0.785) 16.016 17.693 ( -0.214 2.432 -3.252) 4.067 18.548 ( -1.643 29.016 3.551) 29.279 19.310 ( -3.398 -4.041 -5.699) 7.769 ======================= Grid point 132 (92/1062) ======================= q-point: ( 0.55 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -5.921 -6.141 -10.054) 13.185 4.356 ( 0.630 -42.224 -1.679) 42.262 5.995 ( 13.821 1.336 13.623) 19.452 6.520 ( 1.493 -25.735 -1.373) 25.815 7.047 ( 4.474 4.408 0.080) 6.281 7.459 ( -1.033 -49.773 -5.575) 50.095 8.032 ( -5.993 -16.297 -1.903) 17.468 9.412 ( 4.991 26.131 0.804) 26.616 16.238 ( 0.541 -1.576 2.127) 2.702 17.659 ( -0.120 -0.472 -2.701) 2.745 18.080 ( -0.747 19.559 1.014) 19.599 19.267 ( -2.291 3.764 -4.309) 6.163 ======================= Grid point 133 (93/1062) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -4.485 -9.400 -7.207) 12.665 5.155 ( 0.431 -44.737 -1.792) 44.775 6.063 ( 8.065 5.115 9.626) 13.559 6.819 ( 10.614 2.367 -2.524) 11.164 7.122 ( -6.710 -17.716 2.049) 19.054 7.996 ( -4.199 -17.573 -6.484) 19.196 8.604 ( 0.253 -43.718 1.251) 43.737 8.951 ( 3.255 27.150 0.051) 27.344 16.061 ( -0.002 22.202 2.678) 22.363 17.679 ( -0.199 -2.809 -1.051) 3.006 17.921 ( 0.285 -2.291 -0.976) 2.507 19.106 ( -1.349 10.084 -2.978) 10.601 ======================= Grid point 134 (94/1062) ======================= q-point: ( 0.65 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -2.449 -12.136 -3.636) 12.904 5.845 ( 1.495 -16.222 1.280) 16.341 6.126 ( 2.157 -16.369 2.163) 16.651 6.750 ( 4.331 5.877 -0.527) 7.320 7.441 ( -3.400 -17.674 -0.148) 17.998 8.210 ( 0.139 -10.550 -1.343) 10.636 8.440 ( 0.746 27.282 -0.112) 27.292 9.419 ( 0.016 -40.880 -0.379) 40.882 15.536 ( -0.159 33.588 1.394) 33.617 17.755 ( 0.093 -5.121 0.644) 5.163 18.072 ( 0.221 -12.167 -1.213) 12.229 18.875 ( -0.606 12.232 -1.637) 12.356 ======================= Grid point 135 (95/1062) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( -0.000 -13.337 -0.000) 13.337 5.793 ( 0.000 11.243 0.000) 11.243 6.423 ( 0.000 1.042 0.000) 1.042 6.955 ( -0.000 -30.123 -0.000) 30.123 7.682 ( -0.000 -10.145 -0.000) 10.145 7.931 ( 0.000 26.083 0.000) 26.083 8.417 ( -0.000 -9.876 -0.000) 9.876 10.071 ( -0.000 -30.134 -0.000) 30.134 14.922 ( 0.000 32.405 0.000) 32.405 17.829 ( -0.000 -1.097 -0.000) 1.097 18.300 ( -0.000 -12.016 -0.000) 12.016 18.690 ( 0.000 5.284 0.000) 5.284 ======================= Grid point 148 (96/1062) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 5.304 -0.000 4.260) 6.803 2.262 ( 6.164 -0.000 1.543) 6.354 3.269 ( -5.825 0.000 0.311) 5.833 4.648 ( 0.851 -0.000 0.089) 0.856 5.685 ( 27.064 -0.000 3.998) 27.357 7.274 ( -1.352 0.000 -6.751) 6.885 7.941 ( 2.393 -0.000 1.469) 2.808 10.704 ( 4.565 -0.000 -4.144) 6.165 14.976 ( 1.136 -0.000 -1.284) 1.714 17.949 ( -1.504 0.000 -3.255) 3.585 18.468 ( 0.965 -0.000 2.316) 2.509 19.964 ( -3.559 0.000 6.529) 7.436 ======================= Grid point 149 (97/1062) ======================= q-point: ( 0.40 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 4.490 -53.490 1.992) 53.715 2.346 ( 3.304 -6.243 0.228) 7.067 3.188 ( -6.431 2.487 -2.154) 7.224 4.795 ( 0.635 -15.023 -0.428) 15.042 5.908 ( 23.446 0.546 8.981) 25.113 7.216 ( 1.300 1.443 -9.478) 9.675 7.934 ( -0.333 2.053 0.474) 2.133 10.646 ( 4.626 8.219 -1.186) 9.506 15.081 ( 0.837 -10.778 -0.873) 10.846 17.903 ( -1.157 2.286 -2.932) 3.894 18.608 ( -0.318 -12.489 0.780) 12.517 19.863 ( -3.094 11.117 5.148) 12.635 ======================= Grid point 150 (98/1062) ======================= q-point: ( 0.45 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 1.039 -7.964 -4.047) 8.993 3.063 ( -3.537 -2.555 -1.731) 4.694 3.471 ( 1.123 -65.951 1.361) 65.975 5.175 ( 0.399 -25.853 -1.278) 25.888 6.106 ( 17.859 1.242 13.079) 22.170 7.176 ( 5.788 0.170 -11.426) 12.809 7.869 ( -4.240 3.078 0.263) 5.246 10.480 ( 4.670 13.723 0.752) 14.516 15.352 ( 0.551 -17.884 -0.323) 17.896 17.825 ( -0.735 3.756 -2.773) 4.726 18.864 ( -1.809 -15.007 -0.650) 15.129 19.567 ( -2.444 20.574 3.040) 20.941 ======================= Grid point 151 (99/1062) ======================= q-point: ( 0.50 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -3.551 -3.880 -7.899) 9.490 3.190 ( -0.534 -17.267 -0.023) 17.275 4.716 ( 2.212 -64.566 1.716) 64.627 5.715 ( 0.657 -33.455 -1.622) 33.501 6.254 ( 10.389 1.308 13.158) 16.816 7.197 ( 11.560 -0.259 -9.987) 15.279 7.773 ( -9.334 0.899 -0.410) 9.387 10.227 ( 4.150 18.203 1.178) 18.707 15.709 ( 0.468 -20.120 0.066) 20.125 17.737 ( -0.364 3.825 -2.405) 4.533 19.032 ( -1.757 9.365 5.123) 10.819 19.173 ( -2.055 7.188 -5.050) 9.022 ======================= Grid point 152 (100/1062) ======================= q-point: ( 0.55 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -3.961 -2.857 -6.996) 8.532 3.662 ( 0.403 -32.939 -0.270) 32.943 5.777 ( 3.802 -45.464 2.318) 45.681 6.256 ( 6.656 -4.684 7.214) 10.876 6.509 ( -3.312 -40.894 -0.295) 41.029 7.230 ( 13.462 5.394 -4.410) 15.158 7.737 ( -11.117 -8.235 -2.185) 14.006 9.891 ( 3.151 22.328 0.838) 22.565 16.059 ( 0.412 -16.528 0.438) 16.539 17.667 ( -0.122 2.347 -1.764) 2.939 18.553 ( -0.948 29.671 1.931) 29.749 19.232 ( -1.564 -4.184 -2.930) 5.342 ======================= Grid point 153 (101/1062) ======================= q-point: ( 0.60 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -2.243 -5.894 -3.797) 7.361 4.352 ( 0.226 -41.791 -0.558) 41.796 6.242 ( 5.162 4.386 5.928) 9.001 6.522 ( 0.310 -30.690 -0.975) 30.707 7.128 ( 3.308 9.589 2.235) 10.387 7.383 ( -1.394 -45.437 -4.957) 45.727 7.942 ( -3.119 -23.345 -0.648) 23.561 9.471 ( 1.750 26.012 0.377) 26.074 16.257 ( 0.190 -2.126 0.770) 2.269 17.640 ( -0.057 -0.338 -0.984) 1.042 18.078 ( -0.267 19.630 0.340) 19.634 19.217 ( -0.734 3.669 -1.441) 4.010 ======================= Grid point 154 (102/1062) ======================= q-point: ( 0.65 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -0.000 -9.353 -0.000) 9.353 5.150 ( -0.000 -44.655 -0.000) 44.655 6.170 ( 0.000 5.832 0.000) 5.832 6.939 ( 0.000 10.944 0.000) 10.944 7.037 ( -0.000 -24.803 -0.000) 24.803 7.926 ( -0.000 -19.041 -0.000) 19.041 8.611 ( -0.000 -45.697 -0.000) 45.697 8.977 ( 0.000 28.747 0.000) 28.747 16.073 ( 0.000 22.233 0.000) 22.233 17.672 ( -0.000 -3.458 -0.000) 3.458 17.918 ( -0.000 -1.978 -0.000) 1.978 19.081 ( 0.000 10.071 0.000) 10.071 ======================= Grid point 170 (103/1062) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 3.578 -0.000 2.879) 4.593 2.329 ( 2.698 -0.000 -1.993) 3.354 3.161 ( -5.699 0.000 -2.001) 6.040 4.660 ( 0.635 -0.000 0.077) 0.639 6.130 ( 20.188 -0.000 10.980) 22.981 7.186 ( 0.991 -0.000 -11.528) 11.571 7.950 ( -1.207 0.000 -0.475) 1.297 10.748 ( 3.474 -0.000 -0.405) 3.497 14.981 ( 0.829 -0.000 -0.919) 1.237 17.904 ( -0.972 0.000 -2.195) 2.401 18.500 ( 0.689 -0.000 1.669) 1.806 19.966 ( -2.681 0.000 4.420) 5.170 ======================= Grid point 171 (104/1062) ======================= q-point: ( 0.45 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 2.640 -54.205 1.336) 54.286 2.361 ( 0.505 -3.837 -2.844) 4.803 3.080 ( -4.314 2.820 -1.678) 5.420 4.801 ( 0.434 -14.493 -0.276) 14.502 6.319 ( 15.134 0.944 13.122) 20.053 7.144 ( 2.936 -0.752 -13.069) 13.416 7.904 ( -2.881 3.101 -0.325) 4.245 10.705 ( 3.007 7.223 0.594) 7.847 15.085 ( 0.554 -10.787 -0.568) 10.817 17.866 ( -0.665 2.353 -1.819) 3.047 18.612 ( -0.096 -10.368 0.706) 10.393 19.861 ( -2.037 11.298 3.116) 11.895 ======================= Grid point 172 (105/1062) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -1.180 -4.664 -4.349) 6.485 3.016 ( -1.319 -2.359 -0.327) 2.723 3.498 ( 0.805 -68.155 0.866) 68.165 5.171 ( 0.247 -25.436 -0.647) 25.446 6.437 ( 8.549 3.024 11.975) 15.021 7.166 ( 6.769 -4.549 -11.477) 14.080 7.789 ( -5.452 5.946 0.279) 8.072 10.544 ( 2.434 13.024 0.890) 13.280 15.356 ( 0.303 -18.003 -0.184) 18.007 17.797 ( -0.353 3.782 -1.454) 4.067 18.840 ( -0.851 -13.763 -0.136) 13.790 19.560 ( -1.266 21.172 1.537) 21.265 ======================= Grid point 173 (106/1062) ======================= q-point: ( 0.55 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -1.733 -1.787 -3.341) 4.166 3.189 ( 0.025 -18.237 0.156) 18.238 4.750 ( 0.717 -65.692 0.570) 65.699 5.712 ( 0.238 -34.031 -0.553) 34.037 6.450 ( 2.789 4.759 5.916) 8.089 7.312 ( 11.289 -7.683 -5.898) 14.875 7.612 ( -9.811 6.821 0.872) 11.981 10.280 ( 1.424 17.917 0.528) 17.982 15.715 ( 0.164 -20.311 0.020) 20.312 17.718 ( -0.120 3.796 -0.835) 3.888 19.055 ( -0.889 -2.199 4.042) 4.686 19.111 ( -0.375 19.527 -3.959) 19.928 ======================= Grid point 174 (107/1062) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -0.000 -2.571 -0.000) 2.571 3.664 ( -0.000 -32.776 -0.000) 32.776 5.814 ( -0.000 -47.827 -0.000) 47.827 6.377 ( 0.000 5.409 0.000) 5.409 6.449 ( -0.000 -47.963 -0.000) 47.963 7.364 ( 0.000 11.731 0.000) 11.731 7.591 ( -0.000 -14.991 -0.000) 14.991 9.920 ( 0.000 22.234 0.000) 22.234 16.064 ( -0.000 -16.728 -0.000) 16.728 17.658 ( 0.000 2.336 0.000) 2.336 18.555 ( 0.000 29.921 0.000) 29.921 19.206 ( -0.000 -4.245 -0.000) 4.245 ======================= Grid point 192 (108/1062) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 1.800 -0.000 1.451) 2.312 2.322 ( 0.139 -0.000 -2.921) 2.924 3.079 ( -2.825 0.000 -0.965) 2.986 4.669 ( 0.339 -0.000 0.045) 0.342 6.492 ( 11.021 -0.000 12.959) 17.012 7.087 ( 1.326 -0.000 -13.293) 13.358 7.915 ( -2.096 0.000 -0.384) 2.131 10.793 ( 1.884 -0.000 0.560) 1.966 14.985 ( 0.437 -0.000 -0.478) 0.648 17.878 ( -0.467 0.000 -1.098) 1.193 18.520 ( 0.358 -0.000 0.873) 0.944 19.965 ( -1.454 0.000 2.228) 2.660 ======================= Grid point 193 (109/1062) ======================= q-point: ( 0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -0.268 -2.539 -1.991) 3.237 2.344 ( 0.755 -54.527 0.653) 54.536 3.028 ( -1.288 2.692 -0.370) 3.007 4.803 ( 0.155 -14.230 -0.091) 14.231 6.592 ( 5.219 2.303 8.890) 10.563 7.069 ( 1.669 -3.489 -9.016) 9.811 7.861 ( -1.757 4.148 -0.045) 4.505 10.743 ( 1.043 6.837 0.427) 6.929 15.087 ( 0.194 -10.794 -0.196) 10.797 17.848 ( -0.214 2.409 -0.613) 2.495 18.616 ( -0.017 -9.409 0.272) 9.413 19.859 ( -0.715 11.368 1.043) 11.438 ======================= Grid point 194 (110/1062) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -0.000 -3.485 -0.000) 3.485 3.006 ( -0.000 -2.757 -0.000) 2.757 3.509 ( -0.000 -68.567 -0.000) 68.567 5.170 ( -0.000 -25.306 -0.000) 25.306 6.566 ( 0.000 4.596 0.000) 4.596 7.167 ( -0.000 -8.189 -0.000) 8.189 7.740 ( 0.000 8.004 0.000) 8.004 10.568 ( 0.000 12.817 0.000) 12.817 15.357 ( -0.000 -18.043 -0.000) 18.043 17.787 ( 0.000 3.800 0.000) 3.800 18.833 ( -0.000 -13.329 -0.000) 13.329 19.557 ( 0.000 21.335 0.000) 21.335 ======================= Grid point 215 (111/1062) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 562 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.002 -0.000 0.000) 0.002 2.304 ( 0.001 -0.000 0.000) 0.001 3.053 ( 0.000 -0.000 0.001) 0.001 4.671 ( 0.000 -0.000 0.000) 0.000 6.662 ( -0.000 0.000 -0.001) 0.001 7.015 ( 0.001 -0.000 0.001) 0.001 7.894 ( 0.001 -0.000 -0.000) 0.001 10.811 ( 0.001 -0.000 0.000) 0.001 14.986 ( 0.000 -0.000 0.000) 0.000 17.869 ( 0.000 -0.000 -0.000) 0.000 18.527 ( 0.000 -0.000 -0.000) 0.000 19.964 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 409 (112/1062) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( -2.474 0.000 19.620) 19.775 0.627 ( -13.992 0.000 32.016) 34.940 1.134 ( -15.298 0.000 58.003) 59.986 4.533 ( 2.343 -0.000 -3.939) 4.584 4.699 ( 0.766 -0.000 -26.374) 26.385 6.169 ( 6.245 -0.000 22.389) 23.244 8.794 ( 17.573 -0.000 -6.839) 18.857 9.579 ( -28.694 0.000 -2.764) 28.827 14.940 ( -0.216 0.000 -0.697) 0.730 18.246 ( 0.100 -0.000 1.655) 1.658 18.373 ( -0.725 0.000 -2.045) 2.170 20.397 ( -15.357 0.000 2.341) 15.535 ======================= Grid point 410 (113/1062) ======================= q-point: ( 0.05 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 12.713 -15.945 14.446) 24.991 1.141 ( -2.795 -21.730 31.889) 38.690 1.877 ( -8.665 -63.628 30.094) 70.917 4.546 ( 1.416 -6.040 -21.866) 22.729 4.919 ( 3.121 -24.097 -15.375) 28.754 6.307 ( 5.765 0.772 24.296) 24.982 7.943 ( -7.459 35.881 17.401) 40.569 9.537 ( 13.530 8.155 -4.313) 16.376 15.066 ( -1.139 -10.549 1.785) 10.760 18.321 ( -1.017 3.039 -3.411) 4.680 19.244 ( 2.483 -32.392 -27.090) 42.300 20.474 ( -17.671 -19.483 -13.764) 29.687 ======================= Grid point 411 (114/1062) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 18.562 -17.508 14.715) 29.455 1.687 ( -0.973 -26.806 26.411) 37.644 3.217 ( -4.153 -72.387 14.842) 74.009 4.625 ( 2.808 -12.756 -26.429) 29.481 5.354 ( 1.841 -27.896 -10.362) 29.815 6.494 ( 5.925 -4.324 24.356) 25.437 7.531 ( -2.642 15.986 4.970) 16.948 9.417 ( 10.427 12.600 -3.871) 16.807 15.312 ( -1.123 -15.818 2.973) 16.134 18.213 ( -1.267 5.688 -4.489) 7.356 19.295 ( 0.976 11.448 -2.816) 11.830 20.576 ( -11.784 -12.205 -20.122) 26.320 ======================= Grid point 412 (115/1062) ======================= q-point: ( 0.15 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 19.928 -16.711 17.742) 31.483 2.365 ( 0.149 -36.491 16.744) 40.149 4.450 ( -3.142 -50.114 2.681) 50.284 4.832 ( 3.117 -28.434 -21.349) 35.693 5.870 ( 1.487 -31.951 -7.020) 32.746 6.792 ( 6.805 -11.231 20.372) 24.238 7.290 ( -1.865 10.399 1.196) 10.632 9.214 ( 9.662 16.136 -3.549) 19.139 15.629 ( -0.746 -17.444 2.763) 17.677 18.060 ( -0.960 7.308 -5.446) 9.165 18.963 ( -0.220 23.851 4.449) 24.263 20.550 ( -7.964 -3.396 -18.161) 20.119 ======================= Grid point 413 (116/1062) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 19.091 -16.444 19.653) 31.955 3.157 ( 0.791 -42.403 9.233) 43.404 4.760 ( -1.837 -11.608 -24.187) 26.892 5.688 ( 1.635 -45.538 4.858) 45.825 6.474 ( 2.978 -34.346 -11.000) 36.187 7.110 ( 1.896 -2.159 14.418) 14.701 7.242 ( 2.230 -15.378 5.212) 16.390 8.954 ( 9.841 18.617 -3.346) 21.322 15.926 ( -0.310 -12.862 2.463) 13.099 17.895 ( -0.273 6.857 -5.430) 8.751 18.514 ( -0.792 26.281 5.809) 26.927 20.411 ( -6.169 3.611 -16.274) 17.775 ======================= Grid point 414 (117/1062) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 16.964 -17.029 20.120) 31.346 3.956 ( 0.247 -38.789 2.288) 38.857 4.843 ( -2.219 -14.255 -21.555) 25.937 6.347 ( 2.558 -22.336 1.920) 22.564 6.770 ( 3.531 -4.183 -7.373) 9.183 7.492 ( 3.836 -24.701 12.293) 27.856 7.744 ( 0.355 -37.104 0.645) 37.111 8.675 ( 9.532 17.618 -2.764) 20.221 16.057 ( -0.271 1.639 4.031) 4.360 17.783 ( 0.479 2.368 -4.067) 4.731 18.099 ( -0.700 19.387 3.391) 19.693 20.173 ( -5.331 9.400 -15.043) 18.522 ======================= Grid point 415 (118/1062) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( 13.944 -18.705 19.395) 30.339 4.400 ( -3.791 -12.117 -10.463) 16.452 5.234 ( 1.293 -37.788 -9.197) 38.913 6.511 ( 2.358 0.247 -8.451) 8.777 6.938 ( 5.892 -8.019 5.058) 11.163 7.883 ( 3.927 -10.606 5.213) 12.453 8.352 ( 5.905 -4.937 -3.485) 8.449 8.678 ( 1.598 -33.902 0.365) 33.942 15.867 ( -0.956 21.105 7.780) 22.513 17.729 ( 0.570 5.914 -0.663) 5.978 17.929 ( 0.618 -3.507 -2.234) 4.204 19.852 ( -4.815 13.677 -14.202) 20.297 ======================= Grid point 416 (119/1062) ======================= q-point: ( 0.35 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.877 ( 10.350 -21.104 17.776) 29.470 4.419 ( -5.428 -3.281 -12.827) 14.309 5.943 ( 2.920 -35.629 -3.199) 35.891 6.474 ( 2.694 -1.607 -9.787) 10.277 7.021 ( 9.984 8.899 0.814) 13.399 8.015 ( 0.086 -4.098 3.297) 5.260 8.469 ( 4.261 -8.623 0.078) 9.619 9.432 ( 0.711 -40.203 -2.169) 40.268 15.406 ( -1.658 30.948 9.662) 32.463 17.641 ( 0.892 3.005 1.581) 3.511 18.097 ( 1.337 -12.352 -3.899) 13.022 19.483 ( -4.228 15.269 -13.352) 20.719 ======================= Grid point 417 (120/1062) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.362 ( -0.688 0.420 -5.119) 5.182 4.424 ( 1.039 -25.215 9.163) 26.848 6.273 ( 1.792 -0.876 -1.280) 2.371 6.621 ( 12.050 4.236 -3.156) 13.158 6.930 ( 3.302 -11.043 -7.695) 13.858 8.148 ( -2.561 -8.823 4.653) 10.298 8.659 ( 2.144 -8.488 -0.877) 8.798 10.074 ( 1.039 -30.109 -2.790) 30.256 14.863 ( -1.845 30.328 8.501) 31.551 17.651 ( 1.153 -1.243 4.079) 4.417 18.298 ( 1.049 -9.285 -3.460) 9.964 19.139 ( -3.122 11.459 -11.729) 16.692 ======================= Grid point 418 (121/1062) ======================= q-point: ( 0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( -4.865 -1.671 -7.822) 9.362 4.894 ( 0.647 -17.876 7.901) 19.555 6.227 ( 3.455 5.744 -3.106) 7.387 6.409 ( 10.106 15.612 4.032) 19.029 7.307 ( 1.013 -20.159 -4.318) 20.641 8.297 ( -2.898 -6.694 2.878) 7.841 8.785 ( 0.621 -4.691 -2.238) 5.235 10.504 ( 0.866 -17.140 -2.253) 17.309 14.400 ( -1.515 21.220 5.337) 21.933 17.703 ( 0.770 -0.134 3.385) 3.474 18.395 ( 0.070 -2.877 -0.921) 3.022 18.960 ( -0.935 0.804 -8.121) 8.214 ======================= Grid point 419 (122/1062) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.260 ( -6.487 -0.591 -9.176) 11.253 5.044 ( 1.511 5.215 0.859) 5.497 6.212 ( 1.201 -4.551 1.121) 4.838 6.357 ( 4.761 -0.344 9.024) 10.209 7.548 ( 0.506 -6.035 1.859) 6.335 8.330 ( -2.469 2.453 -0.363) 3.499 8.816 ( -0.677 -0.098 -3.281) 3.352 10.677 ( 0.339 -1.845 -1.011) 2.131 14.161 ( -0.852 4.713 1.362) 4.980 17.662 ( -0.423 4.856 -1.332) 5.053 18.463 ( 0.091 -4.052 4.064) 5.740 18.985 ( 1.088 -5.681 -3.654) 6.842 ======================= Grid point 420 (123/1062) ======================= q-point: (-0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.085 ( -9.535 8.354 -15.167) 19.767 4.902 ( 5.285 9.837 6.248) 12.796 6.264 ( -1.324 -1.660 -2.147) 3.019 6.630 ( -2.061 -17.838 14.147) 22.860 7.547 ( -0.036 9.061 6.800) 11.328 8.163 ( -1.786 11.526 -4.004) 12.332 8.746 ( -1.982 4.693 -3.975) 6.462 10.561 ( -0.232 14.440 0.252) 14.444 14.242 ( -0.187 -13.840 -1.817) 13.960 17.560 ( -0.998 3.267 -2.902) 4.483 18.517 ( -0.629 1.791 3.656) 4.120 19.159 ( 3.386 -12.296 1.657) 12.861 ======================= Grid point 421 (124/1062) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.678 ( -11.377 17.216 -17.212) 26.871 4.881 ( 5.367 2.648 11.178) 12.680 6.243 ( -2.402 2.405 -2.411) 4.167 6.948 ( -6.763 -9.384 12.281) 16.871 7.279 ( -0.465 21.016 7.789) 22.417 7.946 ( -1.367 5.622 -5.343) 7.875 8.580 ( -3.566 8.730 -4.548) 10.470 10.156 ( -0.553 29.604 0.841) 29.621 14.615 ( 0.172 -27.185 -2.915) 27.342 17.525 ( -0.941 -1.747 -2.064) 2.863 18.412 ( -1.385 9.501 1.947) 9.797 19.479 ( 5.286 -16.539 4.128) 17.847 ======================= Grid point 422 (125/1062) ======================= q-point: (-0.35 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( -13.238 18.818 -15.683) 27.844 4.930 ( 3.963 4.356 12.022) 13.387 6.019 ( -3.945 20.726 -0.323) 21.100 6.836 ( 1.019 12.124 5.246) 13.249 7.064 ( -7.086 9.010 4.301) 12.243 7.920 ( -2.404 -2.302 -0.686) 3.399 8.368 ( -6.873 4.486 -4.813) 9.514 9.497 ( -0.517 42.046 0.702) 42.055 15.159 ( 0.151 -32.085 -2.162) 32.158 17.585 ( -0.572 -5.943 -1.113) 6.074 18.199 ( -1.539 12.410 1.270) 12.570 19.851 ( 6.544 -16.606 3.567) 18.202 ======================= Grid point 423 (126/1062) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -15.306 17.884 -13.475) 27.124 4.727 ( 0.019 30.110 6.954) 30.902 5.616 ( -1.156 14.144 7.307) 15.962 6.716 ( -3.732 14.673 -5.688) 16.173 6.805 ( -0.947 4.680 5.614) 7.370 7.737 ( -3.586 19.199 -1.563) 19.593 8.425 ( -10.066 -15.966 -0.272) 18.877 8.650 ( -0.475 48.284 -0.508) 48.289 15.700 ( -0.272 -25.693 -0.573) 25.701 17.710 ( -0.030 -8.114 -0.879) 8.161 18.000 ( -1.114 6.795 0.852) 6.938 20.204 ( 7.473 -14.387 1.945) 16.328 ======================= Grid point 424 (127/1062) ======================= q-point: (-0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -16.960 16.839 -10.945) 26.287 3.970 ( -3.041 48.366 2.726) 48.538 5.553 ( 1.367 3.303 12.718) 13.211 6.242 ( -8.518 24.825 -4.199) 26.580 6.826 ( 4.825 3.805 -3.532) 7.087 7.261 ( -7.077 24.195 0.780) 25.221 7.708 ( 0.552 49.660 -0.291) 49.664 8.722 ( -10.747 -21.243 -0.195) 23.807 15.994 ( -1.024 -5.227 0.776) 5.383 17.860 ( 0.526 -8.385 -0.457) 8.414 18.026 ( -0.175 -11.378 0.035) 11.379 20.502 ( 8.341 -10.880 0.108) 13.710 ======================= Grid point 425 (128/1062) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -17.522 16.500 -7.932) 25.341 3.058 ( -4.803 48.329 3.468) 48.691 5.361 ( 0.141 35.887 8.687) 36.924 5.817 ( -8.501 3.993 0.566) 9.409 6.323 ( -0.751 42.323 -5.870) 42.734 6.911 ( -0.221 37.551 -0.960) 37.564 7.116 ( -0.393 -5.498 0.783) 5.567 9.017 ( -10.407 -19.903 -0.111) 22.460 15.901 ( -1.428 12.632 1.412) 12.791 18.016 ( 1.122 -8.032 -0.550) 8.129 18.384 ( 0.326 -25.436 0.141) 25.439 20.728 ( 9.536 -6.716 -1.829) 11.806 ======================= Grid point 426 (129/1062) ======================= q-point: (-0.15 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -16.292 16.750 -3.736) 23.663 2.202 ( -7.764 42.252 7.610) 43.628 4.420 ( -4.170 64.133 6.855) 64.633 5.576 ( -2.162 31.360 -10.006) 32.988 5.803 ( -4.292 -0.551 1.538) 4.592 6.276 ( -1.670 31.170 4.337) 31.514 7.258 ( 2.191 -7.971 -0.127) 8.267 9.278 ( -10.521 -17.539 -0.443) 20.457 15.605 ( -1.439 17.834 2.082) 18.013 18.160 ( 1.394 -6.995 -1.164) 7.227 18.876 ( 0.519 -26.138 0.389) 26.146 20.878 ( 11.602 -2.240 -4.545) 12.660 ======================= Grid point 427 (130/1062) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -13.042 15.939 4.099) 20.999 1.486 ( -12.274 33.369 15.921) 38.956 3.134 ( -6.421 74.827 11.364) 75.957 5.053 ( -1.122 19.289 -11.570) 22.521 5.539 ( -1.650 22.028 -17.893) 28.428 5.995 ( -3.103 4.943 22.397) 23.145 7.432 ( 2.566 -8.879 3.189) 9.778 9.484 ( -12.812 -15.253 -0.935) 19.942 15.292 ( -1.388 15.647 2.891) 15.972 18.277 ( 1.181 -5.310 -1.634) 5.680 19.296 ( 1.335 -18.034 -2.128) 18.208 20.939 ( 14.856 3.493 -10.863) 18.733 ======================= Grid point 428 (131/1062) ======================= q-point: (-0.05 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -9.355 12.091 14.494) 21.066 0.967 ( -14.244 23.022 29.652) 40.152 1.781 ( -11.824 70.666 24.706) 75.789 4.731 ( 0.417 9.873 -15.719) 18.567 5.041 ( 0.555 20.965 -18.700) 28.098 6.041 ( -1.034 0.707 21.765) 21.801 7.759 ( 4.594 -25.933 22.159) 34.419 9.622 ( -22.793 -15.613 -1.878) 27.691 15.063 ( -1.199 9.591 2.660) 10.025 18.351 ( 0.521 -2.915 -2.060) 3.607 19.402 ( 6.952 14.560 -22.556) 27.732 20.792 ( 12.192 19.614 -25.861) 34.672 ======================= Grid point 430 (132/1062) ======================= q-point: ( 0.05 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 18.598 -0.000 16.550) 24.896 0.755 ( -7.130 0.000 29.370) 30.223 1.523 ( -3.265 0.000 53.489) 53.589 4.507 ( 8.105 -0.000 -29.710) 30.795 4.535 ( 2.629 -0.000 -3.982) 4.771 6.494 ( 8.801 -0.000 21.239) 22.990 8.373 ( -33.188 0.000 10.317) 34.754 9.923 ( 42.189 -0.000 -27.474) 50.346 14.932 ( 0.213 -0.000 -1.061) 1.082 18.269 ( 0.501 -0.000 2.302) 2.356 18.323 ( -2.241 0.000 -3.143) 3.861 20.207 ( -15.587 0.000 12.881) 20.221 ======================= Grid point 431 (133/1062) ======================= q-point: ( 0.10 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 18.282 -15.116 13.880) 27.484 1.429 ( 4.968 -29.627 24.380) 38.688 2.087 ( -3.579 -46.327 35.992) 58.774 4.397 ( 7.437 -2.623 -24.613) 25.845 4.840 ( 3.087 -23.555 -11.992) 26.611 6.646 ( 9.024 1.216 22.738) 24.493 7.895 ( -12.737 23.831 9.806) 28.746 9.791 ( 24.778 19.587 -12.325) 33.904 15.062 ( -0.839 -11.651 0.675) 11.701 18.260 ( -2.153 3.075 -4.117) 5.571 19.004 ( -2.347 -44.112 -21.462) 49.112 20.179 ( -15.112 -4.785 5.868) 16.903 ======================= Grid point 432 (134/1062) ======================= q-point: ( 0.15 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 17.210 -20.757 12.220) 29.604 1.998 ( 7.967 -18.617 29.411) 35.708 3.307 ( -2.861 -68.574 15.807) 70.430 4.451 ( 7.419 -9.655 -27.534) 30.106 5.286 ( 1.469 -28.722 -9.517) 30.293 6.832 ( 9.303 -2.821 21.724) 23.800 7.511 ( -4.693 15.246 3.389) 16.308 9.580 ( 15.654 16.613 -6.416) 23.711 15.321 ( -0.931 -16.386 2.232) 16.563 18.142 ( -1.922 5.555 -5.005) 7.720 19.269 ( -0.024 3.422 -4.756) 5.859 20.216 ( -13.923 -12.174 -11.449) 21.752 ======================= Grid point 433 (135/1062) ======================= q-point: ( 0.20 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 17.388 -20.222 13.417) 29.854 2.586 ( 6.047 -27.171 22.810) 35.988 4.377 ( -0.417 -26.999 -11.781) 29.460 4.759 ( 4.430 -47.583 -6.991) 48.297 5.817 ( 1.217 -32.862 -8.411) 33.943 7.099 ( 9.010 -8.441 16.119) 20.304 7.271 ( -2.070 9.719 3.155) 10.426 9.353 ( 12.761 17.682 -4.625) 22.291 15.644 ( -0.512 -17.686 2.330) 17.846 17.990 ( -1.197 6.761 -5.716) 8.934 19.001 ( -0.743 22.596 5.146) 23.186 20.240 ( -10.111 -7.048 -16.930) 20.941 ======================= Grid point 434 (136/1062) ======================= q-point: ( 0.25 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 15.766 -17.146 15.741) 28.113 3.296 ( 4.409 -36.032 13.618) 38.771 4.523 ( 1.272 -9.249 -24.263) 25.998 5.760 ( 1.515 -46.408 5.232) 46.727 6.410 ( 3.651 -33.192 -13.021) 35.841 7.176 ( -3.318 -4.486 5.654) 7.944 7.440 ( 9.212 -11.980 12.981) 19.922 9.088 ( 11.558 19.507 -4.088) 23.039 15.946 ( 0.004 -13.294 2.308) 13.493 17.839 ( -0.254 5.703 -5.542) 7.956 18.554 ( -1.356 26.868 6.265) 27.622 20.148 ( -7.676 0.898 -16.177) 17.928 ======================= Grid point 435 (137/1062) ======================= q-point: ( 0.30 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( 10.552 -16.592 13.874) 24.065 4.023 ( 5.427 -29.804 5.856) 30.855 4.635 ( 0.567 -18.049 -18.830) 26.090 6.385 ( 2.135 -17.595 -1.408) 17.780 6.777 ( 4.735 -12.700 -5.342) 14.568 7.636 ( -0.310 -37.706 8.032) 38.553 7.801 ( 6.084 -18.276 4.413) 19.761 8.795 ( 9.794 18.767 -3.925) 21.529 16.094 ( 0.016 0.484 4.275) 4.303 17.750 ( 0.567 0.991 -4.575) 4.715 18.117 ( -1.114 20.688 3.462) 21.005 19.942 ( -6.269 7.711 -14.618) 17.676 ======================= Grid point 436 (138/1062) ======================= q-point: ( 0.35 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 1.576 -18.488 5.522) 19.359 4.353 ( 8.937 -3.661 0.062) 9.658 5.182 ( 1.511 -42.697 -6.647) 43.238 6.479 ( 3.423 1.214 -7.769) 8.577 7.076 ( 5.364 -12.164 4.621) 14.074 8.020 ( 7.035 -3.739 5.835) 9.875 8.380 ( 3.019 -13.657 -5.183) 14.916 8.710 ( 2.253 -24.781 -0.361) 24.886 15.927 ( -0.925 20.370 8.065) 21.928 17.727 ( 0.510 3.743 -1.675) 4.133 17.918 ( 0.681 -2.231 -2.072) 3.120 19.643 ( -5.277 12.585 -13.234) 19.010 ======================= Grid point 437 (139/1062) ======================= q-point: ( 0.40 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( -9.863 -18.801 -9.799) 23.384 4.498 ( 15.200 -1.225 12.766) 19.887 5.953 ( 2.376 -39.191 -3.300) 39.401 6.440 ( 3.638 -0.155 -7.941) 8.736 7.213 ( 11.789 8.933 2.754) 15.045 8.042 ( 0.180 0.441 2.353) 2.400 8.509 ( 2.176 -8.568 -2.389) 9.157 9.424 ( 0.734 -39.904 -1.906) 39.956 15.468 ( -1.822 31.296 9.204) 32.672 17.670 ( 0.895 1.171 1.632) 2.199 18.080 ( 1.512 -12.394 -4.333) 13.216 19.295 ( -4.320 14.194 -12.029) 19.100 ======================= Grid point 438 (140/1062) ======================= q-point: ( 0.45 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.047 ( -12.467 -13.128 -16.022) 24.176 4.765 ( 12.851 -6.893 16.989) 22.389 6.293 ( 2.375 0.973 -1.260) 2.859 6.742 ( 6.313 -26.428 -4.913) 27.612 7.000 ( 11.705 18.768 0.034) 22.119 8.130 ( -4.443 -8.766 3.103) 10.306 8.663 ( 0.724 -7.622 -3.195) 8.296 10.065 ( 1.026 -30.082 -2.486) 30.202 14.908 ( -2.004 31.176 7.464) 32.120 17.708 ( 1.122 -1.957 4.127) 4.704 18.283 ( 1.130 -9.395 -3.264) 10.010 18.986 ( -2.903 9.157 -10.562) 14.277 ======================= Grid point 439 (141/1062) ======================= q-point: ( 0.50 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.079 ( -10.133 -7.831 -13.747) 18.788 5.033 ( 5.609 -5.548 9.070) 12.021 6.253 ( 2.363 3.289 -1.319) 4.259 6.657 ( 13.403 19.930 8.358) 25.430 7.298 ( 1.959 -22.292 -2.412) 22.507 8.256 ( -4.745 -6.601 1.078) 8.201 8.754 ( -0.532 -4.083 -4.368) 6.003 10.497 ( 0.820 -17.215 -2.067) 17.358 14.421 ( -1.611 22.292 4.466) 22.792 17.739 ( 0.410 2.534 2.285) 3.437 18.398 ( 0.331 -4.665 1.071) 4.798 18.872 ( -0.566 -2.916 -7.944) 8.481 ======================= Grid point 440 (142/1062) ======================= q-point: (-0.45 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( -8.741 -0.589 -12.939) 15.626 5.084 ( 2.092 5.092 1.783) 5.786 6.229 ( 0.885 0.189 -0.493) 1.031 6.587 ( 8.747 2.789 15.307) 17.849 7.585 ( 1.345 -7.386 2.639) 7.957 8.264 ( -4.432 2.488 -2.355) 5.601 8.759 ( -1.436 0.346 -4.892) 5.110 10.672 ( 0.303 -2.009 -1.115) 2.318 14.160 ( -0.910 5.782 1.328) 6.002 17.640 ( -0.627 6.906 -1.475) 7.089 18.507 ( 0.168 -4.299 4.539) 6.254 18.969 ( 1.416 -9.941 -3.880) 10.765 ======================= Grid point 441 (143/1062) ======================= q-point: (-0.40 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.802 ( -8.714 11.551 -14.210) 20.280 5.006 ( 2.115 4.127 4.096) 6.187 6.229 ( -0.729 -0.181 -1.676) 1.837 6.787 ( 2.764 -8.972 17.236) 19.627 7.610 ( 0.330 7.903 5.876) 9.854 8.069 ( -4.274 11.568 -6.212) 13.809 8.671 ( -2.106 5.418 -4.770) 7.520 10.558 ( -0.205 14.276 -0.212) 14.279 14.226 ( -0.249 -13.165 -0.747) 13.189 17.522 ( -0.847 3.445 -2.047) 4.095 18.535 ( -0.780 3.431 2.514) 4.324 19.224 ( 3.459 -16.201 0.734) 16.582 ======================= Grid point 442 (144/1062) ======================= q-point: (-0.35 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( -9.473 19.573 -13.335) 25.508 5.024 ( 1.993 -0.550 7.194) 7.485 6.186 ( -1.833 4.088 -2.259) 5.018 7.013 ( -1.312 -3.036 14.583) 14.953 7.338 ( -0.075 22.668 5.330) 23.286 7.841 ( -4.729 2.655 -7.124) 8.953 8.483 ( -2.984 10.595 -4.443) 11.870 10.153 ( -0.438 29.495 0.135) 29.499 14.599 ( 0.086 -27.001 -1.016) 27.020 17.497 ( -0.681 -2.156 -1.337) 2.627 18.406 ( -1.313 10.085 1.138) 10.234 19.585 ( 4.795 -18.450 1.622) 19.131 ======================= Grid point 443 (145/1062) ======================= q-point: (-0.30 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -10.590 21.340 -10.690) 26.111 5.066 ( 1.336 4.081 8.045) 9.119 5.951 ( -3.281 19.244 -1.687) 19.594 6.890 ( 1.270 12.825 1.789) 13.012 7.038 ( -2.981 14.889 6.544) 16.535 7.868 ( -3.953 -7.740 -0.366) 8.699 8.215 ( -5.953 10.096 -4.889) 12.699 9.493 ( -0.345 41.907 0.039) 41.909 15.150 ( 0.047 -32.070 -0.050) 32.070 17.569 ( -0.363 -6.368 -0.766) 6.425 18.185 ( -1.313 12.406 0.565) 12.488 19.964 ( 5.539 -17.743 0.261) 18.589 ======================= Grid point 444 (146/1062) ======================= q-point: (-0.25 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -11.281 20.652 -7.288) 24.635 4.771 ( -0.958 35.455 4.222) 35.719 5.635 ( -2.229 6.372 2.161) 7.088 6.631 ( -2.104 22.650 -1.897) 22.826 6.845 ( 0.595 0.947 2.197) 2.465 7.690 ( -1.833 23.303 0.630) 23.384 8.257 ( -9.434 -19.719 -1.884) 21.941 8.645 ( -0.013 50.086 -0.078) 50.086 15.698 ( -0.355 -25.439 1.078) 25.464 17.702 ( 0.051 -8.447 -0.626) 8.470 17.990 ( -0.843 6.299 0.196) 6.358 20.310 ( 5.854 -15.444 -1.766) 16.611 ======================= Grid point 445 (147/1062) ======================= q-point: (-0.20 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -10.718 19.637 -3.118) 22.588 3.951 ( -2.368 49.816 2.330) 49.927 5.628 ( -1.682 -2.547 1.902) 3.596 6.105 ( -4.225 30.736 -1.094) 31.044 6.877 ( 4.928 4.302 -2.936) 7.170 7.180 ( -5.552 25.492 3.075) 26.270 7.717 ( 0.519 49.611 0.319) 49.615 8.569 ( -7.779 -21.208 -0.795) 22.604 15.990 ( -0.964 -4.768 1.596) 5.119 17.861 ( 0.498 -8.827 -1.250) 8.929 18.027 ( -0.154 -12.003 0.802) 12.030 20.596 ( 5.863 -12.270 -3.983) 14.170 ======================= Grid point 446 (148/1062) ======================= q-point: (-0.15 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -8.085 19.019 2.181) 20.781 3.031 ( -3.294 49.065 4.404) 49.373 5.413 ( -2.894 43.908 4.677) 44.251 5.638 ( -4.217 -0.187 -12.547) 13.238 6.342 ( 1.060 41.612 7.035) 42.216 6.893 ( -0.225 33.999 -2.122) 34.066 7.136 ( 0.361 -3.630 2.908) 4.666 8.882 ( -5.956 -19.042 -0.949) 19.974 15.896 ( -1.209 12.652 1.901) 12.851 18.016 ( 0.692 -8.559 -2.566) 8.962 18.399 ( 0.220 -25.489 2.212) 25.585 20.807 ( 5.584 -8.696 -6.741) 12.338 ======================= Grid point 447 (149/1062) ======================= q-point: (-0.10 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -2.625 18.350 9.007) 20.610 2.187 ( -4.756 42.926 10.084) 44.350 4.427 ( -3.874 64.144 8.076) 64.767 5.319 ( -3.772 19.258 -25.420) 32.114 5.853 ( 2.245 20.028 3.866) 20.521 6.348 ( -0.435 23.890 14.096) 27.742 7.286 ( 1.143 -9.188 0.403) 9.267 9.153 ( -3.966 -15.332 -1.379) 15.897 15.607 ( -1.216 17.616 2.640) 17.854 18.154 ( 0.489 -7.480 -3.137) 8.126 18.895 ( 0.425 -25.589 2.074) 25.677 20.928 ( 4.382 -4.528 -11.509) 13.121 ======================= Grid point 448 (150/1062) ======================= q-point: (-0.05 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 5.550 16.636 15.218) 23.220 1.519 ( -6.096 32.612 21.235) 39.391 3.159 ( -5.317 74.291 13.342) 75.666 4.852 ( -1.432 15.299 -23.160) 27.794 5.422 ( 2.347 25.630 -11.683) 28.265 6.204 ( 1.330 5.797 24.887) 25.588 7.499 ( 0.384 -13.352 5.370) 14.397 9.362 ( -0.705 -10.424 -1.932) 10.625 15.301 ( -1.257 15.573 3.255) 15.959 18.261 ( -0.148 -5.621 -3.345) 6.543 19.298 ( 1.352 -15.733 -1.987) 15.916 20.890 ( -1.131 4.117 -21.009) 21.439 ======================= Grid point 451 (151/1062) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -2.592 0.000 25.109) 25.242 1.168 ( 18.532 -0.000 17.543) 25.519 2.021 ( 6.919 -0.000 46.370) 46.884 4.385 ( 12.755 -0.000 -31.306) 33.804 4.540 ( 2.911 -0.000 -4.019) 4.962 6.841 ( 10.666 -0.000 20.176) 22.822 8.056 ( -20.654 0.000 7.805) 22.080 10.192 ( 28.454 -0.000 -29.062) 40.672 14.927 ( 0.599 -0.000 -1.264) 1.399 18.250 ( -2.797 0.000 -3.832) 4.744 18.304 ( 0.856 -0.000 2.692) 2.825 20.137 ( -10.154 0.000 13.430) 16.836 ======================= Grid point 452 (152/1062) ======================= q-point: ( 0.15 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 11.684 -15.648 16.336) 25.461 1.729 ( 7.921 -42.471 17.160) 46.486 2.456 ( 6.284 -23.412 37.897) 44.987 4.309 ( 12.322 -0.453 -27.060) 29.737 4.788 ( 3.099 -21.496 -9.387) 23.660 7.004 ( 11.053 1.125 19.671) 22.592 7.770 ( -11.665 15.498 4.893) 20.006 10.020 ( 21.599 19.998 -16.086) 33.544 15.055 ( -0.350 -12.159 -0.108) 12.164 18.182 ( -2.683 3.034 -4.325) 5.926 18.806 ( -2.862 -38.774 -11.567) 40.564 20.071 ( -9.787 4.802 10.136) 14.886 ======================= Grid point 453 (153/1062) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 8.924 -20.676 13.988) 26.510 2.460 ( 15.688 -17.348 25.861) 34.869 3.423 ( -1.556 -60.418 16.039) 62.530 4.347 ( 12.758 -7.150 -27.095) 30.790 5.224 ( 1.556 -28.427 -8.559) 29.728 7.168 ( 9.526 -0.736 16.078) 18.703 7.465 ( -3.956 11.864 2.978) 12.856 9.763 ( 16.130 18.255 -7.792) 25.577 15.325 ( -0.643 -17.055 1.400) 17.125 18.063 ( -2.113 5.314 -5.067) 7.640 19.202 ( -1.669 -8.004 -6.507) 10.449 19.954 ( -11.377 -1.304 -2.272) 11.674 ======================= Grid point 454 (154/1062) ======================= q-point: ( 0.25 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 6.889 -25.137 10.010) 27.920 2.982 ( 12.930 -16.599 24.485) 32.284 4.259 ( 4.642 -16.129 -17.405) 24.180 4.813 ( 5.808 -53.740 0.542) 54.055 5.756 ( 1.523 -32.797 -8.750) 33.979 7.196 ( -2.055 5.024 -0.468) 5.448 7.448 ( 9.377 -3.458 15.153) 18.152 9.515 ( 13.472 18.789 -4.759) 23.604 15.657 ( -0.252 -18.140 1.774) 18.229 17.918 ( -1.170 6.115 -5.603) 8.376 19.036 ( -1.317 20.929 5.650) 21.718 19.934 ( -10.090 -7.614 -14.266) 19.060 ======================= Grid point 455 (155/1062) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 4.559 -20.242 6.368) 21.704 3.552 ( 7.218 -28.113 16.059) 33.171 4.395 ( 10.256 -6.390 -16.944) 20.812 5.831 ( 1.408 -45.094 5.112) 45.404 6.353 ( 5.106 -34.083 -13.306) 36.943 7.158 ( -3.988 -7.393 3.321) 9.033 7.704 ( 9.096 -8.564 11.305) 16.849 9.233 ( 11.877 20.831 -3.883) 24.291 15.969 ( 0.308 -13.970 2.041) 14.121 17.784 ( -0.154 4.640 -5.410) 7.129 18.588 ( -1.930 27.661 6.369) 28.451 19.881 ( -7.798 -1.130 -14.663) 16.646 ======================= Grid point 456 (156/1062) ======================= q-point: ( 0.35 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( -2.583 -14.754 -1.582) 15.062 4.256 ( 8.909 -31.975 11.610) 35.165 4.558 ( 10.641 -11.711 -8.628) 18.022 6.397 ( 2.619 -14.044 -3.312) 14.665 6.808 ( 4.755 -18.568 -4.127) 19.607 7.645 ( -3.141 -44.477 2.447) 44.654 7.983 ( 7.682 -9.560 7.406) 14.327 8.907 ( 9.675 21.402 -3.990) 23.824 16.137 ( 0.287 -0.743 4.187) 4.262 17.715 ( 0.612 0.083 -4.845) 4.884 18.128 ( -1.503 21.625 3.186) 21.910 19.714 ( -6.193 6.240 -12.784) 15.515 ======================= Grid point 457 (157/1062) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( -9.021 -14.242 -10.732) 19.985 4.680 ( 20.144 -1.246 14.329) 24.752 5.154 ( 1.387 -44.791 -4.296) 45.018 6.473 ( 4.576 1.433 -6.800) 8.320 7.179 ( 2.856 -17.009 3.394) 17.578 8.202 ( 8.391 -0.678 5.709) 10.171 8.357 ( 1.223 -15.646 -5.701) 16.697 8.735 ( 2.066 -18.757 -1.416) 18.923 15.987 ( -0.874 19.999 7.544) 21.393 17.714 ( 0.479 1.184 -2.718) 3.003 17.911 ( 0.631 -0.906 -1.616) 1.957 19.448 ( -4.974 11.662 -10.987) 16.777 ======================= Grid point 458 (158/1062) ======================= q-point: ( 0.45 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( -11.768 -14.736 -15.045) 24.125 4.915 ( 18.005 -0.344 16.946) 24.728 5.958 ( 1.971 -41.487 -2.662) 41.619 6.438 ( 4.520 1.384 -6.235) 7.824 7.414 ( 9.543 1.824 3.475) 10.319 8.071 ( 1.369 10.288 1.620) 10.504 8.493 ( 0.071 -9.421 -4.372) 10.386 9.419 ( 0.644 -39.687 -1.496) 39.720 15.519 ( -1.884 31.880 7.771) 32.867 17.699 ( 0.875 -1.001 1.495) 2.001 18.063 ( 1.540 -12.361 -4.265) 13.166 19.129 ( -3.865 13.418 -9.575) 16.931 ======================= Grid point 459 (159/1062) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.709 ( -11.816 -14.026 -15.029) 23.711 5.118 ( 13.318 0.231 14.353) 19.582 6.322 ( 2.616 1.937 -1.044) 3.419 6.761 ( 3.502 -34.694 -4.906) 35.214 7.243 ( 14.786 24.807 4.645) 29.251 8.070 ( -6.191 -8.222 1.976) 10.480 8.622 ( -0.755 -7.171 -5.224) 8.904 10.059 ( 0.939 -30.009 -1.988) 30.089 14.939 ( -2.025 31.884 5.756) 32.463 17.761 ( 0.982 -2.217 3.563) 4.310 18.273 ( 1.165 -10.124 -2.521) 10.497 18.855 ( -2.385 7.466 -8.451) 11.526 ======================= Grid point 460 (160/1062) ======================= q-point: (-0.45 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.786 ( -10.396 -10.525 -13.155) 19.797 5.213 ( 7.367 4.514 7.087) 11.175 6.275 ( 1.987 3.341 -1.045) 4.025 6.956 ( 12.813 19.416 10.729) 25.618 7.323 ( 3.074 -23.665 -0.553) 23.871 8.171 ( -6.486 -6.154 -0.416) 8.951 8.690 ( -1.375 -3.927 -5.821) 7.155 10.491 ( 0.763 -17.149 -1.690) 17.249 14.433 ( -1.603 22.934 3.302) 23.226 17.759 ( 0.048 5.247 1.149) 5.371 18.424 ( 0.617 -6.761 2.671) 7.296 18.795 ( -0.229 -5.712 -7.044) 9.072 ======================= Grid point 461 (161/1062) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.775 ( -8.439 -1.404 -11.567) 14.387 5.141 ( 2.815 8.302 1.888) 8.967 6.236 ( 0.844 1.737 -0.786) 2.085 6.882 ( 9.455 5.333 16.076) 19.398 7.634 ( 1.819 -7.627 2.340) 8.183 8.149 ( -6.421 2.876 -3.976) 8.081 8.687 ( -1.431 0.306 -5.200) 5.402 10.666 ( 0.322 -1.968 -1.077) 2.266 14.158 ( -0.933 6.268 1.306) 6.471 17.618 ( -0.617 8.047 -1.016) 8.134 18.547 ( 0.040 -3.136 3.365) 4.600 18.959 ( 1.616 -13.964 -3.160) 14.408 ======================= Grid point 462 (162/1062) ======================= q-point: (-0.35 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( -6.827 12.640 -10.122) 17.574 5.055 ( 0.526 2.262 2.499) 3.411 6.210 ( -0.083 1.321 -1.178) 1.772 7.017 ( 5.420 -3.733 16.864) 18.103 7.658 ( 0.097 7.186 2.950) 7.768 7.917 ( -6.509 12.969 -7.716) 16.435 8.602 ( -1.318 5.759 -3.716) 6.980 10.551 ( -0.081 14.281 -0.630) 14.295 14.220 ( -0.344 -12.983 0.530) 12.999 17.497 ( -0.575 3.495 -0.998) 3.680 18.540 ( -0.779 4.607 1.164) 4.815 19.277 ( 3.046 -18.744 -0.456) 18.995 ======================= Grid point 463 (163/1062) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -6.173 21.426 -7.218) 23.437 5.085 ( -0.422 -2.791 3.796) 4.730 6.148 ( -0.754 5.847 -1.518) 6.088 7.160 ( 2.521 5.677 12.712) 14.149 7.373 ( -0.009 21.280 2.716) 21.453 7.666 ( -7.641 -0.717 -9.047) 11.863 8.416 ( -1.422 12.068 -2.129) 12.337 10.145 ( -0.231 29.433 -0.586) 29.440 14.599 ( -0.078 -27.022 1.100) 27.045 17.480 ( -0.343 -2.318 -0.515) 2.400 18.394 ( -1.070 10.449 0.310) 10.508 19.655 ( 3.754 -19.635 -1.246) 20.030 ======================= Grid point 464 (164/1062) ======================= q-point: (-0.25 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -5.624 23.557 -3.226) 24.433 5.123 ( -1.107 3.116 3.816) 5.050 5.894 ( -1.595 20.326 -2.075) 20.494 6.900 ( 0.830 13.336 -3.449) 13.800 7.074 ( -1.268 19.339 6.156) 20.335 7.788 ( -4.883 -16.748 -0.996) 17.473 8.119 ( -2.328 17.736 -1.134) 17.925 9.487 ( -0.139 41.664 -0.620) 41.669 15.159 ( -0.157 -31.958 2.157) 32.031 17.560 ( -0.075 -6.505 -0.316) 6.513 18.170 ( -0.934 12.364 -0.147) 12.400 20.024 ( 3.916 -18.469 -3.313) 19.169 ======================= Grid point 465 (165/1062) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -3.979 22.761 1.509) 23.156 4.779 ( -1.767 37.279 1.923) 37.371 5.592 ( -2.087 4.670 -3.491) 6.193 6.606 ( -0.488 24.430 -0.141) 24.435 6.856 ( -0.054 0.225 -1.021) 1.047 7.688 ( -0.828 26.067 2.843) 26.234 8.122 ( -5.066 -20.898 -1.668) 21.568 8.645 ( 0.074 49.342 -0.010) 49.342 15.709 ( -0.506 -24.893 2.696) 25.043 17.700 ( 0.224 -8.604 -0.285) 8.612 17.978 ( -0.516 5.836 -0.441) 5.875 20.349 ( 3.585 -16.060 -5.606) 17.384 ======================= Grid point 466 (166/1062) ======================= q-point: (-0.15 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -0.419 21.166 6.954) 22.283 3.941 ( -1.724 49.773 2.137) 49.849 5.530 ( -3.966 -0.065 -11.343) 12.017 6.103 ( 0.086 30.587 5.683) 31.110 6.901 ( 3.109 -1.435 -6.131) 7.022 7.159 ( -3.098 30.873 7.388) 31.895 7.727 ( 0.198 47.743 0.611) 47.748 8.480 ( -2.438 -20.555 -0.807) 20.715 15.994 ( -0.868 -4.168 2.339) 4.858 17.852 ( 0.410 -7.910 -2.071) 8.187 18.037 ( -0.101 -13.638 1.671) 13.740 20.606 ( 2.730 -12.781 -8.048) 15.349 ======================= Grid point 467 (167/1062) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 5.275 19.464 12.642) 23.801 3.038 ( -1.847 48.311 5.679) 48.679 5.279 ( -6.364 21.135 -14.708) 26.524 5.570 ( 1.917 30.327 -0.247) 30.389 6.443 ( 2.533 37.780 6.381) 38.398 6.879 ( -0.218 23.870 1.217) 23.902 7.171 ( 0.011 1.953 3.691) 4.176 8.824 ( 0.168 -18.436 -1.600) 18.506 15.899 ( -0.927 12.641 2.272) 12.877 17.991 ( 0.204 -8.523 -4.127) 9.472 18.431 ( 0.042 -25.601 3.911) 25.898 20.773 ( 1.002 -8.546 -11.318) 14.217 ======================= Grid point 468 (168/1062) ======================= q-point: (-0.05 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 12.397 17.528 16.793) 27.257 2.243 ( -2.180 40.957 13.099) 43.056 4.446 ( -3.635 61.406 8.008) 62.033 5.040 ( -0.294 19.721 -26.435) 32.982 5.892 ( 2.314 28.580 -3.412) 28.876 6.526 ( 2.750 16.056 19.800) 25.640 7.299 ( -0.385 -10.150 0.872) 10.195 9.134 ( 3.668 -14.960 -2.337) 15.579 15.616 ( -0.977 17.444 2.894) 17.709 18.118 ( -0.379 -7.590 -4.628) 8.898 18.926 ( 0.187 -24.824 3.461) 25.065 20.804 ( -2.937 -1.687 -16.538) 16.881 ======================= Grid point 472 (169/1062) ======================= q-point: ( 0.15 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -0.190 0.000 21.196) 21.197 1.584 ( 11.878 -0.000 20.111) 23.357 2.595 ( 14.121 -0.000 39.589) 42.032 4.316 ( 16.686 -0.000 -31.739) 35.858 4.550 ( 3.165 -0.000 -4.046) 5.137 7.193 ( 11.692 -0.000 16.775) 20.447 7.838 ( -14.707 0.000 3.529) 15.125 10.309 ( 19.814 -0.000 -24.271) 31.332 14.927 ( 0.904 -0.000 -1.293) 1.578 18.168 ( -2.997 0.000 -3.959) 4.965 18.345 ( 1.127 -0.000 2.794) 3.012 20.123 ( -7.506 0.000 12.020) 14.171 ======================= Grid point 473 (170/1062) ======================= q-point: ( 0.20 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 6.481 -23.098 15.628) 28.631 1.986 ( 4.550 -40.583 16.974) 44.225 2.949 ( 11.388 -9.305 33.520) 36.604 4.287 ( 18.581 0.170 -26.964) 32.747 4.758 ( 3.238 -19.238 -7.578) 20.929 7.335 ( 9.835 1.963 13.986) 17.210 7.639 ( -8.355 9.824 1.956) 13.044 10.172 ( 17.061 16.125 -14.831) 27.768 15.050 ( 0.140 -12.134 -0.492) 12.145 18.099 ( -2.734 2.965 -4.212) 5.831 18.693 ( -1.917 -29.536 -5.146) 30.042 20.036 ( -7.210 8.780 9.769) 14.984 ======================= Grid point 474 (171/1062) ======================= q-point: ( 0.25 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 4.845 -17.643 14.652) 23.440 2.891 ( 10.774 -26.240 18.881) 34.075 3.536 ( -2.175 -43.600 11.618) 45.173 4.391 ( 22.795 -7.509 -18.640) 30.388 5.175 ( 1.934 -27.523 -7.549) 28.605 7.303 ( -2.628 8.334 0.422) 8.748 7.559 ( 7.798 0.687 10.961) 13.470 9.933 ( 14.608 17.680 -6.879) 23.943 15.328 ( -0.293 -17.603 0.759) 17.622 17.984 ( -1.992 5.034 -4.797) 7.233 19.104 ( -2.959 -16.545 -6.010) 17.850 19.809 ( -8.157 10.822 2.777) 13.833 ======================= Grid point 475 (172/1062) ======================= q-point: ( 0.30 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 2.308 -22.683 8.849) 24.457 3.312 ( 3.768 -12.179 12.283) 17.703 4.265 ( 12.534 -20.842 -6.795) 25.252 4.952 ( 10.862 -46.335 2.612) 47.662 5.704 ( 2.192 -32.489 -8.455) 33.642 7.146 ( -2.455 4.842 -2.208) 5.860 7.710 ( 8.038 -3.925 10.290) 13.635 9.681 ( 12.891 19.321 -3.432) 23.479 15.669 ( 0.019 -18.704 1.256) 18.746 17.850 ( -0.991 5.494 -5.162) 7.604 19.065 ( -1.881 18.656 5.970) 19.678 19.666 ( -8.813 -5.287 -11.356) 15.316 ======================= Grid point 476 (173/1062) ======================= q-point: ( 0.35 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -2.547 -15.519 -1.286) 15.779 3.690 ( -0.676 -27.831 3.032) 28.004 4.609 ( 23.405 -5.706 4.273) 24.466 5.900 ( 1.480 -41.360 4.752) 41.658 6.324 ( 6.999 -36.784 -12.776) 39.563 7.117 ( -4.143 -8.110 1.411) 9.215 7.910 ( 5.820 -7.481 7.041) 11.807 9.386 ( 11.604 22.204 -2.324) 25.161 15.993 ( 0.568 -14.794 1.672) 14.900 17.734 ( -0.027 3.796 -4.964) 6.249 18.612 ( -2.444 28.672 5.943) 29.383 19.640 ( -6.866 -2.523 -12.079) 14.121 ======================= Grid point 477 (174/1062) ======================= q-point: ( 0.40 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( -7.910 -10.200 -10.439) 16.601 4.345 ( 0.401 -41.371 -0.321) 41.375 4.902 ( 23.845 -1.632 13.398) 27.400 6.410 ( 3.433 -12.912 -3.788) 13.888 6.843 ( 4.536 -19.895 -3.869) 20.769 7.604 ( -3.578 -45.328 0.330) 45.471 8.133 ( 3.555 -10.079 4.524) 11.605 9.030 ( 10.043 24.558 -2.167) 26.620 16.180 ( 0.489 -1.874 3.632) 4.116 17.680 ( 0.614 -0.356 -4.669) 4.722 18.130 ( -1.756 22.115 2.565) 22.332 19.517 ( -5.346 5.108 -9.838) 12.307 ======================= Grid point 478 (175/1062) ======================= q-point: ( 0.45 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( -10.008 -11.413 -13.772) 20.496 5.122 ( 7.796 -26.318 1.717) 27.502 5.182 ( 14.705 -18.118 13.005) 26.714 6.493 ( 5.634 1.428 -6.126) 8.444 7.231 ( 0.500 -20.058 2.452) 20.213 8.249 ( -1.569 -17.761 -6.929) 19.129 8.434 ( 7.787 -1.770 5.837) 9.892 8.752 ( 2.468 -11.361 -2.032) 11.802 16.038 ( -0.820 20.059 6.067) 20.972 17.693 ( 0.504 -1.164 -3.221) 3.462 17.908 ( 0.524 -0.070 -1.040) 1.167 19.288 ( -4.135 10.996 -7.845) 14.126 ======================= Grid point 479 (176/1062) ======================= q-point: ( 0.50 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( -10.324 -13.418 -13.681) 21.766 5.342 ( 16.725 2.786 15.130) 22.725 5.970 ( 2.010 -42.144 -0.896) 42.202 6.462 ( 5.471 2.385 -5.232) 7.937 7.554 ( 3.905 -9.911 3.235) 11.132 8.118 ( 2.989 21.468 0.746) 21.688 8.440 ( -0.751 -8.731 -4.896) 10.039 9.416 ( 0.456 -39.673 -0.979) 39.687 15.553 ( -1.813 32.536 5.477) 33.043 17.724 ( 0.834 -3.215 1.005) 3.470 18.050 ( 1.434 -12.206 -3.373) 12.745 19.000 ( -3.055 12.977 -6.357) 14.770 ======================= Grid point 480 (177/1062) ======================= q-point: ( 0.55 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.413 ( -9.580 -14.032 -11.850) 20.715 5.436 ( 11.896 6.348 10.760) 17.251 6.353 ( 2.599 2.548 -1.055) 3.790 6.781 ( 3.969 -35.308 -2.675) 35.631 7.516 ( 13.316 22.508 6.053) 26.844 7.976 ( -7.785 -7.265 1.307) 10.728 8.546 ( -1.796 -7.040 -6.424) 9.698 10.057 ( 0.807 -29.941 -1.335) 29.981 14.952 ( -1.886 32.325 3.604) 32.580 17.802 ( 0.733 -1.969 2.209) 3.049 18.273 ( 1.144 -11.399 -1.301) 11.530 18.757 ( -1.703 6.587 -5.441) 8.711 ======================= Grid point 481 (178/1062) ======================= q-point: (-0.40 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( -7.988 -11.263 -9.356) 16.679 5.380 ( 6.695 11.543 4.495) 14.081 6.295 ( 1.812 3.933 -1.094) 4.466 7.238 ( 10.088 14.360 10.326) 20.362 7.383 ( 4.202 -20.647 1.048) 21.096 8.049 ( -7.971 -5.150 -1.493) 9.607 8.611 ( -1.367 -4.510 -5.782) 7.459 10.489 ( 0.708 -16.986 -1.155) 17.040 14.434 ( -1.481 23.095 1.992) 23.228 17.764 ( -0.162 7.113 0.404) 7.126 18.461 ( 0.659 -8.025 2.408) 8.404 18.738 ( 0.108 -7.615 -4.552) 8.873 ======================= Grid point 482 (179/1062) ======================= q-point: (-0.35 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.574 ( -5.643 -1.970 -6.753) 9.018 5.199 ( 2.522 11.699 1.319) 12.040 6.241 ( 0.824 2.547 -0.852) 2.809 7.157 ( 7.484 6.133 12.665) 15.938 7.679 ( 2.011 -6.053 0.951) 6.449 7.998 ( -7.605 3.130 -4.193) 9.231 8.628 ( -0.542 -0.276 -3.591) 3.643 10.663 ( 0.389 -1.739 -0.912) 2.002 14.155 ( -0.913 6.143 1.304) 6.346 17.603 ( -0.432 8.516 -0.209) 8.529 18.567 ( -0.157 -1.831 0.882) 2.038 18.961 ( 1.562 -16.565 -1.582) 16.713 ======================= Grid point 483 (180/1062) ======================= q-point: (-0.30 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( -3.097 12.894 -3.561) 13.731 5.075 ( -0.148 2.712 1.348) 3.032 6.202 ( 0.281 2.091 -0.838) 2.270 7.232 ( 3.545 -3.018 9.716) 10.773 7.656 ( -1.033 7.623 -1.350) 7.810 7.755 ( -5.017 15.981 -4.479) 17.338 8.568 ( -0.114 5.723 -0.943) 5.801 10.544 ( 0.118 14.479 -0.979) 14.512 14.225 ( -0.463 -13.302 1.892) 13.443 17.486 ( -0.223 3.519 0.154) 3.529 18.533 ( -0.642 5.135 -0.168) 5.178 19.307 ( 2.220 -19.728 -1.900) 19.943 ======================= Grid point 484 (181/1062) ======================= q-point: (-0.25 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -1.080 22.474 0.683) 22.510 5.092 ( -1.484 -3.167 1.229) 3.707 6.133 ( 0.130 6.836 -0.816) 6.886 7.229 ( -1.815 18.924 -5.368) 19.754 7.421 ( -2.624 15.652 0.434) 15.877 7.492 ( -0.331 -6.013 2.632) 6.573 8.401 ( 0.005 12.693 1.040) 12.735 10.135 ( 0.039 29.453 -1.267) 29.481 14.617 ( -0.315 -27.220 3.259) 27.416 17.477 ( 0.030 -2.235 0.378) 2.267 18.379 ( -0.695 10.590 -0.511) 10.625 19.676 ( 2.305 -20.007 -4.228) 20.578 ======================= Grid point 485 (182/1062) ======================= q-point: (-0.20 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 1.249 24.598 5.509) 25.238 5.108 ( -2.754 2.920 -0.229) 4.021 5.865 ( 0.339 22.326 -1.941) 22.412 6.849 ( -0.349 11.745 -7.913) 14.167 7.075 ( -3.363 18.952 0.521) 19.255 7.741 ( -0.447 -16.502 1.695) 16.595 8.116 ( 0.390 19.492 2.847) 19.703 9.478 ( 0.079 41.371 -1.220) 41.389 15.185 ( -0.446 -31.724 4.332) 32.022 17.561 ( 0.239 -6.392 0.191) 6.399 18.154 ( -0.452 12.311 -0.879) 12.351 20.022 ( 1.904 -18.681 -6.811) 19.975 ======================= Grid point 486 (183/1062) ======================= q-point: (-0.15 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 4.837 23.113 10.560) 25.867 4.752 ( -2.634 35.671 -0.342) 35.770 5.513 ( -0.923 9.005 -8.055) 12.117 6.598 ( -0.099 20.297 -0.764) 20.311 6.828 ( -0.853 0.772 -2.907) 3.126 7.709 ( -0.786 24.952 4.106) 25.300 8.086 ( 1.778 -17.841 -0.405) 17.934 8.646 ( 0.106 47.970 0.029) 47.970 15.733 ( -0.686 -24.092 4.247) 24.473 17.704 ( 0.417 -8.547 0.025) 8.557 17.966 ( -0.172 5.417 -1.053) 5.521 20.315 ( 1.006 -16.124 -9.153) 18.568 ======================= Grid point 487 (184/1062) ======================= q-point: (-0.10 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 9.710 20.511 15.236) 27.333 3.938 ( -1.199 48.176 2.109) 48.237 5.328 ( -3.831 6.053 -17.799) 19.186 6.180 ( 1.825 27.108 6.556) 27.949 6.863 ( 1.373 -3.472 -8.352) 9.148 7.218 ( -0.267 31.222 10.138) 32.828 7.734 ( -0.083 44.884 0.751) 44.890 8.481 ( 3.391 -19.107 -0.850) 19.424 16.007 ( -0.725 -3.465 3.004) 4.643 17.835 ( 0.358 -6.125 -2.807) 6.747 18.054 ( -0.146 -15.739 2.443) 15.928 20.531 ( -0.522 -12.310 -11.539) 16.881 ======================= Grid point 488 (185/1062) ======================= q-point: (-0.05 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 15.129 17.967 18.391) 29.832 3.080 ( -0.595 46.088 7.198) 46.651 5.022 ( -3.976 14.065 -21.665) 26.134 5.620 ( 1.781 41.866 3.707) 42.067 6.503 ( 3.165 36.606 -4.079) 36.969 6.941 ( 1.575 12.641 11.035) 16.853 7.202 ( -0.444 7.398 3.710) 8.288 8.855 ( 5.963 -18.260 -2.378) 19.356 15.910 ( -0.621 12.673 2.463) 12.925 17.948 ( -0.136 -7.888 -5.019) 9.351 18.471 ( -0.303 -25.862 5.057) 26.354 20.632 ( -3.176 -6.508 -14.657) 16.348 ======================= Grid point 493 (186/1062) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.803 -0.000 17.876) 17.894 1.912 ( 5.964 -0.000 20.397) 21.251 3.139 ( 10.197 -0.000 30.684) 32.334 4.347 ( 25.064 -0.000 -26.834) 36.719 4.563 ( 3.363 -0.000 -4.065) 5.276 7.484 ( 6.750 -0.000 9.337) 11.521 7.671 ( -7.169 0.000 1.535) 7.331 10.378 ( 14.785 -0.000 -17.488) 22.900 14.931 ( 1.099 -0.000 -1.155) 1.594 18.086 ( -2.941 0.000 -3.588) 4.639 18.389 ( 1.285 -0.000 2.606) 2.906 20.121 ( -6.309 0.000 10.216) 12.007 ======================= Grid point 494 (187/1062) ======================= q-point: ( 0.25 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 4.273 -32.988 13.057) 35.734 2.190 ( 1.004 -29.764 17.232) 34.407 3.326 ( 2.424 -1.916 18.415) 18.672 4.453 ( 29.882 -1.141 -14.394) 33.187 4.747 ( 4.066 -17.166 -6.621) 18.843 7.427 ( -6.007 7.656 -1.082) 9.792 7.677 ( 7.520 0.801 7.431) 10.602 10.289 ( 13.598 12.357 -10.376) 21.101 15.050 ( 0.505 -11.869 -0.550) 11.892 18.020 ( -2.519 2.895 -3.743) 5.361 18.640 ( -1.045 -21.987 -1.802) 22.085 20.019 ( -6.034 10.566 8.332) 14.747 ======================= Grid point 495 (188/1062) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 2.137 -14.450 13.237) 19.713 3.128 ( 2.715 -30.950 9.843) 32.591 3.542 ( -4.281 -34.095 1.885) 34.414 4.736 ( 31.914 -7.248 -1.338) 32.753 5.144 ( 2.565 -26.257 -6.489) 27.168 7.226 ( -3.684 7.447 -4.069) 9.251 7.769 ( 6.927 -0.713 6.812) 9.741 10.092 ( 12.621 16.291 -4.050) 21.002 15.331 ( 0.033 -17.942 0.409) 17.947 17.913 ( -1.698 4.765 -4.173) 6.558 19.008 ( -3.135 -18.879 -4.045) 19.560 19.734 ( -6.081 17.786 4.085) 19.236 ======================= Grid point 496 (189/1062) ======================= q-point: ( 0.35 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -0.954 -17.015 5.072) 17.781 3.337 ( -3.787 -9.916 -1.221) 10.684 4.470 ( 10.156 -41.359 6.398) 43.066 5.232 ( 20.518 -25.892 5.995) 33.575 5.668 ( 2.993 -32.383 -7.792) 33.442 7.082 ( -1.636 3.597 -4.537) 6.017 7.877 ( 4.021 -3.460 4.983) 7.278 9.851 ( 11.615 19.386 -1.161) 22.630 15.681 ( 0.255 -19.256 0.851) 19.277 17.792 ( -0.735 4.975 -4.349) 6.649 19.089 ( -2.350 15.398 6.040) 16.706 19.448 ( -6.962 -0.776 -8.851) 11.288 ======================= Grid point 497 (190/1062) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -6.287 -8.176 -7.916) 13.002 3.678 ( -1.459 -30.313 1.050) 30.366 5.081 ( 23.410 -9.729 13.479) 28.711 5.970 ( 2.209 -34.005 4.668) 34.394 6.334 ( 9.050 -40.540 -11.510) 43.103 7.058 ( -3.592 -7.558 -1.042) 8.432 8.007 ( 0.776 -6.872 2.511) 7.357 9.549 ( 10.702 22.999 -0.203) 25.368 16.017 ( 0.735 -15.607 1.194) 15.670 17.692 ( 0.114 3.216 -4.102) 5.214 18.622 ( -2.776 29.758 4.774) 30.266 19.447 ( -5.327 -3.528 -8.699) 10.794 ======================= Grid point 498 (191/1062) ======================= q-point: ( 0.45 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -8.353 -7.451 -12.162) 16.529 4.346 ( 0.084 -41.199 0.303) 41.200 5.419 ( 22.821 -0.877 16.643) 28.259 6.433 ( 3.897 -13.373 -3.596) 14.386 6.879 ( 4.861 -17.627 -3.902) 18.697 7.542 ( -3.727 -45.899 -1.610) 46.079 8.171 ( -1.750 -11.719 1.068) 11.897 9.178 ( 9.748 26.225 0.211) 27.979 16.218 ( 0.580 -2.687 2.537) 3.741 17.649 ( 0.615 -0.418 -3.861) 3.932 18.122 ( -1.774 22.039 1.719) 22.177 19.367 ( -4.093 4.352 -6.280) 8.668 ======================= Grid point 499 (192/1062) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -8.311 -10.185 -11.688) 17.590 5.137 ( 0.842 -43.809 -0.766) 43.824 5.642 ( 18.649 1.932 16.084) 24.702 6.534 ( 7.053 1.287 -5.910) 9.292 7.245 ( -1.369 -20.854 2.181) 21.013 8.128 ( -3.884 -17.170 -8.448) 19.526 8.580 ( 2.978 -23.172 5.341) 23.965 8.793 ( 5.323 10.461 -1.178) 11.796 16.072 ( -0.751 20.498 3.691) 20.841 17.672 ( 0.590 -2.842 -2.834) 4.057 17.908 ( 0.410 0.005 -0.415) 0.583 19.175 ( -3.041 10.574 -4.341) 11.828 ======================= Grid point 500 (193/1062) ======================= q-point: ( 0.55 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( -7.358 -12.767 -9.437) 17.498 5.681 ( 10.671 0.637 9.034) 13.996 6.019 ( 3.524 -36.473 3.075) 36.772 6.514 ( 7.349 2.847 -4.485) 9.068 7.590 ( -2.503 -16.533 2.297) 16.879 8.163 ( 2.581 14.695 -1.211) 14.969 8.401 ( 0.944 3.760 -2.488) 4.606 9.415 ( 0.248 -39.903 -0.356) 39.905 15.564 ( -1.597 33.060 2.642) 33.204 17.742 ( 0.749 -4.920 0.008) 4.976 18.047 ( 1.214 -12.016 -1.501) 12.170 18.917 ( -2.074 12.749 -2.839) 13.225 ======================= Grid point 501 (194/1062) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -5.807 -13.728 -6.509) 16.265 5.671 ( 7.828 10.366 5.720) 14.193 6.382 ( 2.392 2.721 -1.016) 3.763 6.839 ( 5.042 -34.486 -0.007) 34.853 7.747 ( 8.226 14.692 3.833) 17.269 7.867 ( -6.736 -0.385 2.909) 7.347 8.456 ( -1.854 -7.673 -5.998) 9.915 10.060 ( 0.666 -29.907 -0.575) 29.919 14.948 ( -1.600 32.422 1.282) 32.487 17.823 ( 0.419 -1.596 0.261) 1.670 18.284 ( 0.950 -12.307 -0.023) 12.343 18.703 ( -0.875 6.190 -1.665) 6.469 ======================= Grid point 502 (195/1062) ======================= q-point: (-0.35 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -3.665 -11.278 -3.367) 12.327 5.494 ( 3.956 15.296 1.507) 15.871 6.311 ( 1.595 4.646 -1.077) 5.029 7.433 ( 5.121 -19.250 4.028) 20.323 7.475 ( 4.596 12.198 3.685) 13.546 7.908 ( -7.859 -3.569 -0.634) 8.655 8.553 ( -0.012 -5.650 -3.501) 6.647 10.492 ( 0.656 -16.762 -0.525) 16.783 14.425 ( -1.262 22.777 0.668) 22.821 17.763 ( -0.203 7.734 -0.003) 7.737 18.478 ( 0.235 -7.840 -0.554) 7.863 18.722 ( 0.628 -8.736 0.271) 8.763 ======================= Grid point 503 (196/1062) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( -0.907 -2.311 0.030) 2.483 5.237 ( 1.116 13.632 0.358) 13.683 6.245 ( 0.732 3.003 -0.835) 3.202 7.291 ( -0.272 6.769 0.017) 6.774 7.740 ( 4.502 -3.221 3.504) 6.552 7.857 ( -6.292 2.439 -1.339) 6.880 8.611 ( 0.885 -0.890 -0.505) 1.352 10.662 ( 0.478 -1.355 -0.681) 1.590 14.154 ( -0.858 5.436 1.322) 5.660 17.601 ( -0.144 8.466 0.686) 8.495 18.559 ( -0.324 -1.654 -1.688) 2.385 18.976 ( 1.253 -16.566 -0.069) 16.613 ======================= Grid point 504 (197/1062) ======================= q-point: (-0.25 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( 2.038 12.684 4.115) 13.489 5.077 ( -0.707 3.677 0.406) 3.766 6.201 ( 0.483 2.270 -0.596) 2.396 7.194 ( -7.130 -0.927 -10.718) 12.906 7.672 ( -1.841 14.372 -4.569) 15.193 7.716 ( 4.571 9.572 10.274) 14.768 8.580 ( 0.915 5.720 1.936) 6.107 10.537 ( 0.351 14.857 -1.281) 14.916 14.241 ( -0.604 -14.080 3.219) 14.456 17.493 ( 0.161 3.547 1.325) 3.790 18.517 ( -0.440 5.033 -1.354) 5.230 19.308 ( 1.165 -19.157 -3.469) 19.504 ======================= Grid point 505 (198/1062) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( 4.703 22.498 8.705) 24.577 5.066 ( -2.087 -2.017 -0.961) 3.057 6.136 ( 0.864 6.946 -0.223) 7.003 7.037 ( -7.626 7.740 -14.878) 18.423 7.304 ( -2.200 17.170 -8.350) 19.220 7.671 ( 5.797 3.752 13.093) 14.802 8.430 ( 0.997 12.776 3.176) 13.203 10.123 ( 0.328 29.561 -1.872) 29.622 14.650 ( -0.608 -27.571 5.285) 28.080 17.488 ( 0.392 -1.912 1.297) 2.344 18.363 ( -0.248 10.525 -1.309) 10.609 19.647 ( 0.673 -19.539 -7.046) 20.781 ======================= Grid point 506 (199/1062) ======================= q-point: (-0.15 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 7.819 24.101 13.180) 28.560 5.033 ( -4.312 4.099 -4.353) 7.372 5.867 ( 2.039 24.317 -1.825) 24.470 6.747 ( -1.179 8.058 -10.591) 13.360 6.992 ( -3.705 12.395 -4.443) 13.678 7.801 ( 3.231 -7.782 4.797) 9.696 8.174 ( 2.456 17.439 4.478) 18.172 9.467 ( 0.285 41.068 -1.719) 41.105 15.226 ( -0.781 -31.403 6.345) 32.047 17.571 ( 0.521 -6.033 0.685) 6.094 18.139 ( 0.075 12.273 -1.642) 12.383 19.956 ( -0.198 -18.358 -9.872) 20.845 ======================= Grid point 507 (200/1062) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 11.672 21.821 17.020) 30.034 4.686 ( -3.867 30.348 -3.368) 30.778 5.416 ( 0.021 17.886 -11.001) 20.998 6.587 ( 1.090 11.531 -3.626) 12.137 6.793 ( -0.280 3.035 -1.135) 3.252 7.742 ( -0.144 20.606 4.610) 21.116 8.155 ( 6.636 -11.016 -0.037) 12.860 8.649 ( 0.210 45.825 0.130) 45.826 15.767 ( -0.844 -23.113 5.685) 23.817 17.713 ( 0.557 -8.187 0.157) 8.207 17.953 ( 0.157 4.986 -1.612) 5.242 20.211 ( -1.484 -15.651 -11.989) 19.771 ======================= Grid point 508 (201/1062) ======================= q-point: (-0.05 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 15.700 18.711 19.529) 31.273 3.942 ( -0.765 44.762 2.107) 44.818 5.089 ( -3.342 10.516 -20.915) 23.647 6.271 ( 2.761 25.024 4.921) 25.652 6.805 ( 1.845 -1.524 -8.586) 8.913 7.333 ( 1.995 27.526 11.438) 29.875 7.739 ( -0.217 41.852 0.774) 41.860 8.559 ( 7.603 -17.848 -1.530) 19.460 16.028 ( -0.526 -2.635 3.580) 4.477 17.811 ( 0.391 -4.142 -3.462) 5.413 18.076 ( -0.354 -17.730 3.031) 17.991 20.379 ( -3.348 -11.057 -13.977) 18.133 ======================= Grid point 514 (202/1062) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.884 -0.000 15.043) 15.069 2.154 ( 1.888 -0.000 18.208) 18.306 3.397 ( -1.734 0.000 10.164) 10.311 4.578 ( 3.475 -0.000 -4.082) 5.360 4.663 ( 35.782 -0.000 -7.500) 36.559 7.433 ( -8.073 0.000 -4.082) 9.046 7.773 ( 7.657 -0.000 5.002) 9.145 10.454 ( 11.736 -0.000 -10.002) 15.420 14.939 ( 1.164 -0.000 -0.871) 1.454 18.012 ( -2.652 0.000 -2.860) 3.900 18.432 ( 1.320 -0.000 2.156) 2.528 20.114 ( -5.714 0.000 8.200) 9.995 ======================= Grid point 515 (203/1062) ======================= q-point: ( 0.30 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 2.809 -40.206 10.704) 41.701 2.338 ( -1.535 -20.184 15.078) 25.241 3.374 ( -5.001 1.726 0.747) 5.343 4.728 ( 4.208 -14.924 -4.156) 16.053 4.954 ( 35.032 -2.560 1.497) 35.157 7.292 ( -5.823 5.581 -6.145) 10.140 7.842 ( 6.008 0.328 3.254) 6.840 10.408 ( 10.998 9.766 -4.982) 15.529 15.055 ( 0.694 -11.563 -0.376) 11.589 17.952 ( -2.135 2.854 -2.908) 4.600 18.619 ( -0.446 -16.673 -0.347) 16.682 20.001 ( -5.388 11.390 6.522) 14.188 ======================= Grid point 516 (204/1062) ======================= q-point: ( 0.35 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -0.663 -11.102 9.599) 14.691 3.172 ( -2.544 -14.776 0.277) 14.996 3.498 ( -2.814 -50.210 3.013) 50.379 5.116 ( 4.080 -25.598 -5.347) 26.467 5.300 ( 31.336 -4.287 8.248) 32.685 7.124 ( -2.295 5.099 -7.550) 9.395 7.889 ( 3.013 -0.325 2.268) 3.786 10.249 ( 10.395 14.987 -0.955) 18.264 15.337 ( 0.251 -18.095 0.307) 18.099 17.855 ( -1.307 4.545 -3.170) 5.693 18.934 ( -2.603 -17.806 -2.332) 18.146 19.687 ( -4.908 20.767 3.690) 21.655 ======================= Grid point 517 (205/1062) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -4.267 -8.957 -1.889) 10.100 3.262 ( -3.543 -13.134 0.003) 13.603 4.640 ( 3.549 -57.351 7.221) 57.913 5.644 ( 4.961 -25.970 -1.823) 26.502 5.685 ( 23.386 -15.550 6.192) 28.758 7.012 ( 0.228 2.194 -7.801) 8.106 7.929 ( -0.767 -2.471 1.236) 2.867 10.016 ( 9.591 19.106 0.691) 21.390 15.693 ( 0.395 -19.700 0.558) 19.712 17.747 ( -0.436 4.590 -3.151) 5.584 19.105 ( -2.598 9.869 5.672) 11.676 19.282 ( -4.989 6.200 -6.842) 10.495 ======================= Grid point 518 (206/1062) ======================= q-point: ( 0.45 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -6.692 -4.186 -9.633) 12.454 3.678 ( -1.220 -31.520 3.093) 31.694 5.518 ( 15.156 -22.784 12.401) 30.044 6.068 ( 4.617 -20.394 5.598) 21.646 6.394 ( 10.613 -42.343 -8.250) 44.426 6.994 ( -0.919 -5.620 -4.196) 7.073 7.987 ( -4.299 -6.131 -0.228) 7.492 9.706 ( 8.711 23.043 1.082) 24.658 16.037 ( 0.772 -16.231 0.609) 16.260 17.662 ( 0.277 2.868 -2.802) 4.019 18.615 ( -2.746 30.498 2.839) 30.753 19.313 ( -3.658 -4.172 -4.834) 7.359 ======================= Grid point 519 (207/1062) ======================= q-point: ( 0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -6.313 -6.351 -9.184) 12.827 4.355 ( -0.274 -40.916 1.811) 40.957 5.889 ( 17.673 -0.356 14.659) 22.964 6.461 ( 3.687 -15.348 -3.290) 16.124 6.929 ( 6.347 -12.164 -3.428) 14.142 7.460 ( -3.599 -45.562 -3.289) 45.822 8.115 ( -5.378 -14.551 -0.077) 15.513 9.323 ( 7.676 26.397 1.236) 27.518 16.243 ( 0.544 -2.971 0.983) 3.177 17.629 ( 0.670 -0.292 -2.408) 2.516 18.108 ( -1.526 21.379 0.857) 21.450 19.272 ( -2.759 3.930 -2.678) 5.498 ======================= Grid point 520 (208/1062) ======================= q-point: ( 0.55 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -4.927 -9.672 -6.373) 12.587 5.147 ( 0.295 -44.043 1.114) 44.058 6.012 ( 11.343 4.638 10.536) 16.161 6.614 ( 10.391 0.751 -4.931) 11.526 7.228 ( -3.781 -19.254 2.196) 19.745 7.991 ( -3.701 -17.367 -6.797) 19.014 8.628 ( -0.686 -40.932 2.617) 41.021 8.885 ( 5.700 26.683 0.814) 27.297 16.083 ( -0.651 21.153 0.780) 21.178 17.660 ( 0.718 -3.572 -1.734) 4.035 17.913 ( 0.293 -0.651 0.316) 0.781 19.112 ( -1.885 10.312 -0.937) 10.525 ======================= Grid point 521 (209/1062) ======================= q-point: ( 0.60 0.25 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -3.082 -12.324 -2.997) 13.052 5.827 ( 2.932 -13.362 1.961) 13.820 6.119 ( 2.738 -19.484 4.168) 20.112 6.616 ( 9.786 3.470 -2.422) 10.662 7.532 ( -6.326 -16.566 1.338) 17.783 8.179 ( 1.831 -6.697 -1.494) 7.102 8.420 ( 2.004 23.717 0.173) 23.803 9.418 ( 0.110 -40.259 0.363) 40.261 15.553 ( -1.265 33.309 -0.301) 33.334 17.747 ( 0.596 -5.501 -1.218) 5.666 18.061 ( 0.902 -11.998 0.865) 12.063 18.882 ( -1.016 12.542 0.591) 12.597 ======================= Grid point 522 (210/1062) ======================= q-point: (-0.35 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -0.902 -13.347 0.331) 13.382 5.774 ( 2.119 11.312 -0.452) 11.518 6.407 ( 1.726 2.361 -0.640) 2.994 6.927 ( 4.313 -32.291 2.147) 32.648 7.725 ( -5.045 -7.962 -0.542) 9.441 7.931 ( 2.275 23.604 4.128) 24.070 8.400 ( 0.727 -9.572 -2.183) 9.844 10.067 ( 0.531 -29.896 0.230) 29.902 14.927 ( -1.222 32.165 -0.958) 32.202 17.820 ( 0.092 -1.560 -1.681) 2.295 18.300 ( 0.524 -11.586 0.975) 11.639 18.700 ( 0.102 5.539 2.274) 5.988 ======================= Grid point 523 (211/1062) ======================= q-point: (-0.30 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 1.621 -11.167 3.560) 11.833 5.524 ( 0.018 15.493 -1.860) 15.604 6.324 ( 1.122 5.302 -0.827) 5.482 7.482 ( -0.937 8.300 -4.611) 9.540 7.519 ( -0.969 -14.956 1.568) 15.069 7.849 ( -1.367 -1.853 5.463) 5.929 8.556 ( 2.282 -5.981 0.379) 6.413 10.500 ( 0.590 -16.493 0.115) 16.504 14.408 ( -0.986 22.020 -0.563) 22.050 17.758 ( -0.169 7.080 -0.427) 7.095 18.461 ( -0.270 -6.599 -2.540) 7.076 18.758 ( 1.079 -8.657 3.999) 9.597 ======================= Grid point 524 (212/1062) ======================= q-point: (-0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( 4.350 -2.701 6.977) 8.654 5.237 ( -0.863 13.382 -0.773) 13.432 6.248 ( 0.547 3.204 -0.760) 3.338 7.155 ( -7.902 9.566 -11.758) 17.094 7.751 ( -3.721 -1.887 -2.424) 4.825 7.908 ( 5.886 0.940 9.529) 11.240 8.644 ( 2.073 -0.800 2.224) 3.144 10.665 ( 0.555 -0.850 -0.474) 1.121 14.154 ( -0.788 4.217 1.354) 4.499 17.611 ( 0.165 7.899 1.429) 8.029 18.528 ( -0.479 -2.316 -3.214) 3.991 18.996 ( 0.860 -14.276 0.549) 14.312 ======================= Grid point 525 (213/1062) ======================= q-point: (-0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.553 ( 6.805 12.017 10.892) 17.588 5.061 ( -1.345 4.492 -0.325) 4.700 6.206 ( 0.671 1.915 -0.435) 2.076 6.917 ( -9.824 1.477 -17.041) 19.725 7.591 ( -1.658 14.077 -6.812) 15.726 7.914 ( 5.850 8.104 11.827) 15.485 8.626 ( 1.542 5.936 3.357) 6.992 10.531 ( 0.570 15.367 -1.569) 15.458 14.266 ( -0.766 -15.243 4.389) 15.880 17.516 ( 0.522 3.553 2.421) 4.331 18.495 ( -0.249 4.414 -2.300) 4.984 19.279 ( 0.116 -17.144 -4.985) 17.854 ======================= Grid point 526 (214/1062) ======================= q-point: (-0.15 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.354 ( 9.160 21.492 14.885) 27.701 5.005 ( -3.360 0.731 -3.476) 4.889 6.156 ( 1.763 6.224 0.416) 6.482 6.776 ( -6.129 -0.151 -16.041) 17.173 7.192 ( -0.934 20.591 -10.439) 23.105 7.873 ( 4.915 5.822 11.339) 13.662 8.485 ( 1.841 12.363 3.687) 13.032 10.110 ( 0.597 29.732 -2.371) 29.832 14.696 ( -0.936 -28.066 6.997) 28.940 17.513 ( 0.704 -1.357 2.186) 2.668 18.347 ( 0.202 10.285 -2.062) 10.492 19.567 ( -0.883 -18.279 -9.421) 20.583 ======================= Grid point 527 (215/1062) ======================= q-point: (-0.10 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 12.040 22.521 18.184) 31.350 4.888 ( -6.431 5.897 -8.828) 12.413 5.891 ( 3.191 27.084 -2.044) 27.348 6.631 ( -0.134 3.980 -11.300) 11.981 6.910 ( -0.396 5.403 -4.899) 7.304 7.899 ( 2.684 0.026 5.123) 5.784 8.270 ( 4.493 13.624 4.141) 14.931 9.455 ( 0.463 40.778 -2.074) 40.834 15.279 ( -1.118 -31.084 8.036) 32.126 17.589 ( 0.727 -5.394 1.102) 5.553 18.125 ( 0.584 12.267 -2.432) 12.520 19.834 ( -2.079 -17.570 -12.158) 21.467 ======================= Grid point 528 (216/1062) ======================= q-point: (-0.05 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 14.969 19.950 20.157) 32.069 4.564 ( -5.127 21.722 -7.594) 23.575 5.315 ( 0.708 28.842 -11.255) 30.969 6.557 ( 1.798 3.097 -7.530) 8.338 6.823 ( 3.096 5.973 3.304) 7.495 7.795 ( 1.470 16.176 4.883) 16.960 8.266 ( 7.732 -3.954 -1.360) 8.790 8.657 ( 0.640 41.746 0.332) 41.752 15.813 ( -0.936 -22.070 6.915) 23.147 17.723 ( 0.604 -7.373 -0.038) 7.398 17.941 ( 0.433 4.409 -2.047) 4.880 20.050 ( -3.515 -14.769 -13.756) 20.487 ======================= Grid point 535 (217/1062) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.352 -0.000 12.589) 12.593 2.311 ( -1.233 0.000 14.158) 14.212 3.354 ( -5.943 0.000 -2.139) 6.316 4.594 ( 3.479 -0.000 -4.102) 5.379 5.234 ( 35.745 -0.000 6.310) 36.298 7.262 ( -6.075 0.000 -8.435) 10.395 7.898 ( 4.675 -0.000 0.972) 4.775 10.555 ( 9.357 -0.000 -3.742) 10.078 14.950 ( 1.089 -0.000 -0.475) 1.188 17.951 ( -2.183 0.000 -1.918) 2.906 18.470 ( 1.237 -0.000 1.492) 1.938 20.096 ( -5.251 0.000 6.016) 7.986 ======================= Grid point 536 (218/1062) ======================= q-point: ( 0.35 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 1.411 -43.650 8.652) 44.521 2.420 ( -3.633 -14.460 10.798) 18.408 3.259 ( -6.332 2.767 -3.663) 7.821 4.740 ( 3.270 -14.806 -4.459) 15.805 5.554 ( 32.843 -1.314 9.982) 34.351 7.141 ( -3.704 3.394 -10.113) 11.292 7.922 ( 2.430 0.702 0.152) 2.534 10.534 ( 8.477 8.257 -0.941) 11.871 15.064 ( 0.697 -11.294 -0.060) 11.316 17.900 ( -1.641 2.826 -1.822) 3.742 18.615 ( -0.083 -13.142 0.011) 13.143 19.973 ( -4.809 11.694 4.519) 13.427 ======================= Grid point 537 (219/1062) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -3.418 -7.041 3.720) 8.666 3.106 ( -3.750 -4.172 -0.795) 5.666 3.510 ( -1.582 -62.962 5.456) 63.218 5.116 ( 3.061 -25.413 -4.931) 26.067 5.875 ( 27.917 -1.719 12.848) 30.780 7.016 ( -0.015 2.582 -11.472) 11.759 7.913 ( -0.958 0.820 0.139) 1.269 10.391 ( 7.724 14.022 0.840) 16.031 15.345 ( 0.315 -18.114 0.363) 18.121 17.814 ( -0.869 4.373 -1.872) 4.836 18.882 ( -1.832 -15.903 -1.382) 16.067 19.647 ( -4.058 21.723 2.624) 22.254 ======================= Grid point 538 (220/1062) ======================= q-point: ( 0.45 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -4.971 -3.142 -5.200) 7.850 3.236 ( -2.688 -16.505 4.148) 17.229 4.731 ( 0.709 -63.154 5.633) 63.409 5.648 ( 3.529 -32.330 -5.238) 32.941 6.156 ( 19.667 -1.858 13.355) 23.846 6.955 ( 4.893 -0.042 -11.354) 12.364 7.886 ( -5.194 -0.757 0.052) 5.249 10.154 ( 6.826 18.650 1.248) 19.899 15.704 ( 0.404 -19.976 0.343) 19.983 17.720 ( -0.119 4.319 -1.659) 4.628 19.110 ( -2.382 -5.961 2.556) 6.909 19.167 ( -3.271 23.033 -2.961) 23.452 ======================= Grid point 539 (221/1062) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -4.264 -2.809 -6.008) 7.885 3.692 ( -1.578 -31.709 4.254) 32.032 5.755 ( 4.790 -40.324 6.385) 41.106 6.207 ( 6.537 -13.643 3.434) 15.513 6.488 ( 5.410 -33.546 -2.066) 34.042 6.992 ( 8.725 -2.521 -5.322) 10.526 7.882 ( -8.413 -5.655 -0.349) 10.143 9.831 ( 5.772 22.693 1.095) 23.441 16.051 ( 0.668 -16.522 -0.027) 16.535 17.649 ( 0.464 2.663 -1.184) 2.951 18.592 ( -2.233 30.434 0.588) 30.521 19.241 ( -2.182 -4.309 -1.061) 4.946 ======================= Grid point 540 (222/1062) ======================= q-point: ( 0.55 0.30 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -2.503 -6.011 -2.836) 7.102 4.370 ( -0.766 -40.886 3.089) 41.009 6.201 ( 8.047 1.925 6.813) 10.718 6.485 ( 3.041 -21.911 -2.236) 22.234 7.016 ( 7.984 -3.679 -2.879) 9.251 7.385 ( -1.983 -43.314 -1.567) 43.388 8.024 ( -6.199 -19.530 0.879) 20.509 9.430 ( 4.443 26.108 0.978) 26.502 16.252 ( 0.396 -2.609 -0.754) 2.745 17.626 ( 0.799 -0.183 -0.577) 1.002 18.092 ( -1.089 20.290 0.156) 20.320 19.230 ( -1.467 3.719 0.557) 4.037 ======================= Grid point 541 (223/1062) ======================= q-point: ( 0.60 0.30 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -0.438 -9.378 0.951) 9.436 5.167 ( -0.178 -44.152 2.882) 44.246 6.158 ( 1.401 5.676 -0.158) 5.848 6.769 ( 12.884 0.785 -2.524) 13.152 7.160 ( -7.371 -16.552 1.708) 18.200 7.920 ( 0.210 -18.637 -0.950) 18.662 8.628 ( -1.308 -44.304 1.255) 44.341 8.962 ( 2.675 28.490 1.075) 28.635 16.067 ( -0.525 21.844 -2.076) 21.948 17.662 ( 0.850 -3.187 -0.515) 3.339 17.923 ( 0.142 -1.908 1.187) 2.251 19.097 ( -0.702 10.109 2.119) 10.352 ======================= Grid point 542 (224/1062) ======================= q-point: ( 0.65 0.30 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 1.766 -11.950 4.340) 12.836 5.848 ( -0.454 -13.513 -1.339) 13.586 6.144 ( -1.655 -18.550 0.067) 18.623 6.734 ( 5.808 4.917 -1.186) 7.702 7.456 ( -3.943 -17.145 1.694) 17.674 8.206 ( 2.079 -12.368 0.966) 12.579 8.446 ( 0.537 28.794 0.686) 28.807 9.426 ( 0.049 -40.520 1.101) 40.535 15.520 ( -0.886 33.263 -2.941) 33.404 17.738 ( 0.385 -4.810 -2.043) 5.240 18.089 ( 0.511 -12.146 2.770) 12.468 18.895 ( 0.119 12.230 3.688) 12.774 ======================= Grid point 543 (225/1062) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( 4.118 -13.059 7.217) 15.478 5.729 ( -3.594 10.090 -6.621) 12.591 6.421 ( 0.515 1.932 -0.171) 2.007 6.989 ( -0.100 -30.892 3.514) 31.092 7.683 ( 0.453 -4.676 0.056) 4.698 7.921 ( -4.913 20.708 -0.753) 21.296 8.452 ( 4.348 -8.599 3.278) 10.178 10.080 ( 0.385 -29.886 0.990) 29.905 14.893 ( -0.821 31.601 -2.917) 31.746 17.796 ( -0.240 -1.759 -3.087) 3.561 18.318 ( 0.062 -9.524 1.899) 9.711 18.746 ( 1.087 4.751 5.373) 7.254 ======================= Grid point 544 (226/1062) ======================= q-point: (-0.25 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( 6.496 -11.149 9.781) 16.192 5.457 ( -4.158 12.340 -5.566) 14.161 6.330 ( 0.368 5.574 -0.391) 5.600 7.329 ( -7.505 21.287 -9.007) 24.302 7.511 ( -2.869 -20.653 1.890) 20.937 7.931 ( 3.314 -6.272 6.263) 9.463 8.622 ( 3.604 -4.847 3.147) 6.811 10.512 ( 0.491 -16.181 0.663) 16.202 14.384 ( -0.705 20.894 -1.615) 20.968 17.749 ( -0.186 5.274 -1.163) 5.404 18.433 ( -0.486 -4.607 -1.721) 4.942 18.821 ( 1.301 -7.282 5.028) 8.945 ======================= Grid point 545 (227/1062) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( 8.312 -3.059 12.219) 15.091 5.196 ( -2.639 10.469 -1.967) 10.974 6.248 ( 0.298 3.228 -0.649) 3.306 6.881 ( -10.141 12.796 -14.893) 22.100 7.671 ( -3.369 -0.820 -2.598) 4.333 8.085 ( 5.345 -0.755 8.603) 10.157 8.707 ( 2.526 -0.025 3.244) 4.111 10.670 ( 0.591 -0.262 -0.368) 0.744 14.155 ( -0.729 2.590 1.390) 3.029 17.631 ( 0.406 6.677 1.785) 6.924 18.488 ( -0.618 -2.725 -3.385) 4.389 19.011 ( 0.558 -10.746 0.259) 10.763 ======================= Grid point 546 (228/1062) ======================= q-point: (-0.15 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.806 ( 9.348 10.786 14.935) 20.659 5.029 ( -2.139 5.931 -0.828) 6.359 6.215 ( 1.024 0.757 -0.436) 1.346 6.605 ( -8.310 0.277 -17.952) 19.784 7.499 ( -1.260 14.910 -7.700) 16.828 8.096 ( 4.204 7.245 9.901) 12.969 8.685 ( 1.893 6.134 3.184) 7.166 10.525 ( 0.740 15.935 -1.851) 16.059 14.299 ( -0.950 -16.680 5.277) 17.520 17.553 ( 0.811 3.442 3.327) 4.855 18.467 ( -0.124 3.480 -2.899) 4.531 19.220 ( -0.708 -13.895 -6.284) 15.266 ======================= Grid point 547 (229/1062) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 11.325 19.415 18.287) 28.976 4.885 ( -6.095 5.387 -6.960) 10.706 6.199 ( 2.747 4.993 1.159) 5.816 6.574 ( -0.779 -6.973 -14.224) 15.860 7.082 ( -0.105 21.370 -11.073) 24.068 8.027 ( 2.543 7.171 8.972) 11.764 8.552 ( 2.640 11.307 2.916) 11.972 10.097 ( 0.815 29.914 -2.720) 30.049 14.750 ( -1.272 -28.703 8.207) 29.880 17.550 ( 0.939 -0.592 2.989) 3.188 18.331 ( 0.593 9.926 -2.727) 10.311 19.446 ( -2.125 -16.356 -11.103) 19.883 ======================= Grid point 548 (230/1062) ======================= q-point: (-0.05 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( 13.629 20.686 20.438) 32.115 4.669 ( -8.265 6.632 -12.963) 16.744 5.921 ( 3.381 31.232 -2.643) 31.525 6.538 ( 1.601 2.276 -10.957) 11.305 6.908 ( 4.941 -2.816 -2.284) 6.129 7.972 ( 1.014 4.177 4.330) 6.101 8.380 ( 5.280 10.235 2.449) 11.774 9.443 ( 0.609 40.498 -2.232) 40.564 15.341 ( -1.417 -30.894 9.212) 32.270 17.613 ( 0.846 -4.406 1.403) 4.701 18.112 ( 1.019 12.298 -3.213) 12.751 19.670 ( -3.475 -16.470 -13.381) 21.503 ======================= Grid point 556 (231/1062) ======================= q-point: ( 0.35 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -0.610 0.000 10.447) 10.465 2.380 ( -3.693 0.000 8.940) 9.673 3.229 ( -6.027 0.000 -2.677) 6.595 4.609 ( 3.367 -0.000 -4.130) 5.329 5.841 ( 30.444 -0.000 11.606) 32.581 7.089 ( -3.598 0.000 -12.260) 12.777 7.944 ( 1.429 -0.000 -0.653) 1.571 10.665 ( 6.793 -0.000 -0.177) 6.795 14.963 ( 0.880 -0.000 -0.006) 0.880 17.909 ( -1.621 0.000 -0.883) 1.846 18.498 ( 1.049 -0.000 0.678) 1.249 20.064 ( -4.625 0.000 3.728) 5.941 ======================= Grid point 557 (232/1062) ======================= q-point: ( 0.40 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -0.133 -41.452 6.451) 41.952 2.432 ( -4.772 -14.754 6.626) 16.863 3.143 ( -5.444 2.693 -0.664) 6.110 4.750 ( 3.155 -14.397 -4.238) 15.335 6.128 ( 26.106 -0.635 13.341) 29.324 6.989 ( -1.136 1.440 -13.939) 14.059 7.932 ( -0.639 1.530 -0.393) 1.704 10.645 ( 5.667 7.441 0.765) 9.384 15.075 ( 0.537 -11.073 0.325) 11.091 17.868 ( -1.112 2.767 -0.631) 3.048 18.614 ( 0.109 -10.936 -0.224) 10.939 19.937 ( -4.031 11.688 2.424) 12.599 ======================= Grid point 558 (233/1062) ======================= q-point: ( 0.45 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -3.813 -3.404 0.713) 5.161 3.064 ( -3.275 -3.362 3.118) 5.635 3.536 ( -1.696 -66.528 5.107) 66.745 5.121 ( 2.987 -25.199 -4.190) 25.719 6.370 ( 17.650 0.945 13.901) 22.487 6.924 ( 5.418 -1.130 -14.495) 15.516 7.873 ( -4.070 2.766 0.337) 4.933 10.498 ( 4.727 13.361 0.987) 14.207 15.353 ( 0.225 -18.043 0.492) 18.051 17.793 ( -0.437 4.211 -0.438) 4.257 18.849 ( -1.029 -14.309 -1.018) 14.382 19.609 ( -3.167 21.694 1.269) 21.961 ======================= Grid point 559 (234/1062) ======================= q-point: ( 0.50 0.35 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -2.308 -1.030 -1.661) 3.025 3.240 ( -2.951 -17.786 5.464) 18.839 4.775 ( -0.837 -65.100 4.256) 65.245 5.658 ( 3.461 -33.095 -4.161) 33.534 6.456 ( 4.274 3.884 6.030) 8.350 7.015 ( 16.338 -4.395 -7.076) 18.339 7.780 ( -8.704 1.749 1.084) 8.944 10.246 ( 3.697 18.186 0.648) 18.569 15.711 ( 0.283 -20.063 0.182) 20.066 17.713 ( 0.189 4.114 -0.047) 4.119 19.058 ( -1.273 -2.525 -4.938) 5.690 19.144 ( -2.256 19.874 4.686) 20.543 ======================= Grid point 560 (235/1062) ======================= q-point: ( 0.55 0.35 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -0.127 -2.499 0.986) 2.690 3.705 ( -2.173 -31.962 4.697) 32.378 5.830 ( 0.065 -46.059 3.283) 46.176 6.314 ( 6.000 -15.579 -1.919) 16.804 6.463 ( -3.772 -26.780 -4.532) 27.422 7.185 ( 16.396 0.966 0.559) 16.434 7.736 ( -10.505 -6.867 1.894) 12.692 9.902 ( 2.458 22.285 0.290) 22.422 16.057 ( 0.440 -16.418 -0.615) 16.435 17.655 ( 0.657 2.512 0.514) 2.647 18.559 ( -1.363 29.635 -1.324) 29.696 19.222 ( -0.857 -4.127 2.008) 4.669 ======================= Grid point 561 (236/1062) ======================= q-point: ( 0.60 0.35 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 1.976 -5.879 4.905) 7.908 4.388 ( -1.274 -41.306 4.159) 41.534 6.243 ( -2.526 5.407 -5.942) 8.422 6.521 ( 1.934 -30.416 0.956) 30.493 7.066 ( 3.375 -1.707 -6.848) 7.823 7.421 ( 3.103 -35.245 7.387) 36.144 7.959 ( -3.251 -23.543 2.265) 23.875 9.477 ( 0.899 25.819 0.181) 25.835 16.242 ( 0.169 -1.652 -2.283) 2.823 17.643 ( 0.953 -0.164 1.158) 1.509 18.078 ( -0.601 19.013 -0.329) 19.025 19.236 ( -0.132 3.587 3.279) 4.862 ======================= Grid point 562 (237/1062) ======================= q-point: (-0.35 -0.65 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 3.979 -9.141 8.243) 12.936 5.195 ( -0.598 -44.389 4.507) 44.621 6.075 ( -5.755 5.042 -9.418) 12.134 6.904 ( 5.103 7.751 -3.263) 9.837 7.062 ( -4.633 -22.861 2.140) 23.424 7.986 ( 4.804 -17.379 5.786) 18.936 8.614 ( -1.540 -43.778 0.388) 43.807 8.985 ( -0.728 26.841 0.702) 26.860 16.029 ( -0.410 22.481 -4.335) 22.899 17.676 ( 0.949 -1.757 0.261) 2.013 17.940 ( -0.079 -3.552 2.110) 4.132 19.129 ( 0.590 9.913 4.750) 11.008 ======================= Grid point 563 (238/1062) ======================= q-point: (-0.30 -0.65 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 6.027 -11.747 10.723) 17.009 5.764 ( -5.633 -0.633 -8.373) 10.111 6.103 ( -3.082 -32.074 1.352) 32.250 6.752 ( -1.787 4.327 -0.352) 4.695 7.459 ( 1.715 -18.452 1.583) 18.599 8.253 ( 0.855 1.434 2.807) 3.266 8.451 ( -0.403 17.534 1.045) 17.570 9.440 ( -0.024 -40.612 1.714) 40.648 15.472 ( -0.539 33.006 -4.989) 33.385 17.722 ( 0.143 -3.238 -2.276) 3.960 18.125 ( 0.061 -12.242 3.767) 12.809 18.954 ( 1.365 11.870 6.277) 13.496 ======================= Grid point 564 (239/1062) ======================= q-point: (-0.25 -0.65 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 8.147 -13.011 12.613) 19.868 5.543 ( -8.860 7.539 -11.908) 16.647 6.418 ( -0.762 1.831 0.086) 1.985 6.998 ( -3.360 -30.664 5.260) 31.292 7.717 ( 1.626 16.701 -2.207) 16.925 7.812 ( -5.335 0.251 0.474) 5.362 8.562 ( 4.280 -7.106 4.591) 9.481 10.097 ( 0.200 -29.865 1.607) 29.909 14.848 ( -0.461 30.818 -4.443) 31.140 17.757 ( -0.563 -1.752 -3.796) 4.219 18.338 ( -0.267 -7.694 2.793) 8.190 18.830 ( 1.991 4.810 7.214) 8.896 ======================= Grid point 565 (240/1062) ======================= q-point: (-0.20 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( 9.796 -11.006 14.023) 20.340 5.294 ( -7.630 6.422 -9.399) 13.704 6.328 ( -0.378 5.239 0.090) 5.254 7.116 ( -9.043 26.769 -8.252) 29.436 7.475 ( -4.002 -17.640 2.708) 18.290 8.043 ( 4.085 -10.471 4.497) 12.106 8.710 ( 3.280 -3.657 3.523) 6.046 10.527 ( 0.348 -15.832 1.029) 15.869 14.356 ( -0.465 19.488 -2.409) 19.642 17.729 ( -0.338 2.723 -2.184) 3.507 18.419 ( -0.458 -2.180 0.392) 2.262 18.889 ( 1.499 -4.864 4.779) 6.981 ======================= Grid point 566 (241/1062) ======================= q-point: (-0.15 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.013 ( 9.425 -2.655 14.242) 17.283 5.124 ( -3.262 4.506 -3.100) 6.369 6.245 ( -0.023 3.464 -0.542) 3.506 6.586 ( -9.656 15.254 -13.883) 22.775 7.602 ( -2.606 0.477 -2.080) 3.368 8.226 ( 3.478 -1.955 6.476) 7.606 8.774 ( 2.296 0.747 2.650) 3.585 10.675 ( 0.572 0.365 -0.406) 0.791 14.157 ( -0.704 0.695 1.414) 1.726 17.655 ( 0.477 4.591 1.540) 4.866 18.450 ( -0.653 -2.083 -2.282) 3.158 19.017 ( 0.437 -6.729 -0.605) 6.770 ======================= Grid point 567 (242/1062) ======================= q-point: (-0.10 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( 8.806 8.073 14.674) 18.922 4.976 ( -3.670 10.460 -1.210) 11.151 6.230 ( 2.086 -2.995 -1.482) 3.939 6.351 ( -3.834 -2.709 -14.107) 14.867 7.413 ( -0.611 16.288 -7.285) 17.853 8.224 ( 1.723 6.784 7.435) 10.211 8.740 ( 1.981 5.995 1.916) 6.598 10.519 ( 0.842 16.470 -2.099) 16.625 14.334 ( -1.149 -18.259 5.770) 19.184 17.602 ( 0.977 3.027 3.899) 5.032 18.438 ( -0.075 2.571 -2.988) 3.943 19.142 ( -1.154 -9.748 -7.258) 12.208 ======================= Grid point 568 (243/1062) ======================= q-point: (-0.05 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( 11.969 15.592 19.016) 27.349 4.678 ( -9.618 10.868 -10.931) 18.169 6.251 ( 2.124 3.850 0.488) 4.424 6.512 ( 7.396 -11.787 -8.903) 16.520 6.987 ( 0.958 20.000 -10.306) 22.520 8.118 ( -0.229 8.250 6.642) 10.594 8.617 ( 2.888 9.822 1.284) 10.318 10.085 ( 0.967 30.053 -2.869) 30.205 14.808 ( -1.587 -29.472 8.746) 30.783 17.597 ( 1.090 0.320 3.648) 3.821 18.314 ( 0.879 9.541 -3.232) 10.112 19.298 ( -2.888 -13.983 -11.906) 18.591 ======================= Grid point 577 (244/1062) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -1.887 0.000 8.589) 8.794 2.379 ( -4.438 0.000 5.715) 7.236 3.135 ( -4.826 0.000 0.917) 4.913 4.620 ( 3.147 -0.000 -4.164) 5.220 6.376 ( 21.974 -0.000 14.057) 26.086 6.923 ( -0.548 0.000 -15.584) 15.594 7.941 ( -0.989 0.000 -0.158) 1.002 10.754 ( 3.994 -0.000 0.772) 4.068 14.977 ( 0.557 -0.000 0.496) 0.746 17.884 ( -1.052 0.000 0.166) 1.065 18.514 ( 0.781 -0.000 -0.210) 0.809 20.023 ( -3.672 0.000 1.428) 3.940 ======================= Grid point 578 (245/1062) ======================= q-point: ( 0.45 0.40 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -1.716 -27.175 4.385) 27.580 2.424 ( -3.736 -27.911 6.889) 28.990 3.079 ( -4.251 2.369 2.585) 5.510 4.758 ( 2.934 -14.294 -4.020) 15.135 6.572 ( 11.458 1.466 11.714) 16.451 6.873 ( 6.849 -1.737 -13.700) 15.415 7.905 ( -2.540 2.712 0.567) 3.758 10.718 ( 2.819 7.012 0.591) 7.580 15.086 ( 0.250 -10.881 0.724) 10.908 17.854 ( -0.607 2.649 0.563) 2.775 18.612 ( 0.194 -9.761 -0.721) 9.789 19.895 ( -2.947 11.509 0.332) 11.885 ======================= Grid point 579 (246/1062) ======================= q-point: ( 0.50 0.40 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -1.357 -1.886 4.183) 4.785 3.050 ( -3.321 -3.687 4.389) 6.625 3.549 ( -2.306 -67.684 4.267) 67.858 5.130 ( 2.783 -25.308 -3.502) 25.700 6.561 ( -1.035 4.451 -2.483) 5.200 7.021 ( 16.439 -6.157 -0.289) 17.557 7.805 ( -5.347 5.396 1.448) 7.733 10.554 ( 1.814 12.958 0.079) 13.085 15.360 ( 0.018 -17.902 0.638) 17.913 17.792 ( -0.038 4.023 0.980) 4.141 18.830 ( -0.229 -13.442 -0.898) 13.473 19.573 ( -2.090 21.181 -0.215) 21.285 ======================= Grid point 580 (247/1062) ======================= q-point: ( 0.55 0.40 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 1.585 -0.712 5.206) 5.488 3.241 ( -3.483 -18.432 5.155) 19.453 4.786 ( -2.212 -65.598 3.161) 65.711 5.676 ( 3.109 -33.800 -3.033) 34.078 6.431 ( -3.538 4.714 -7.863) 9.826 7.287 ( 17.325 -6.700 3.263) 18.860 7.648 ( -10.109 5.557 2.777) 11.865 10.280 ( 0.677 17.857 -0.449) 17.875 15.715 ( 0.060 -19.969 0.071) 19.969 17.725 ( 0.472 3.936 1.489) 4.234 19.001 ( -0.047 6.196 -4.983) 7.951 19.162 ( -1.139 10.656 4.614) 11.668 ======================= Grid point 581 (248/1062) ======================= q-point: (-0.40 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 3.866 -2.603 8.355) 9.567 3.711 ( -2.715 -32.671 4.760) 33.128 5.829 ( -3.313 -46.638 1.535) 46.780 6.269 ( -5.409 3.489 -10.021) 11.911 6.421 ( 5.085 -46.022 -3.267) 46.417 7.391 ( 2.565 9.055 2.704) 9.792 7.654 ( -0.137 -13.223 5.814) 14.445 9.913 ( -0.714 22.013 -0.648) 22.034 16.054 ( 0.125 -15.952 -1.044) 15.987 17.678 ( 0.821 2.394 2.023) 3.240 18.527 ( -0.428 28.572 -2.630) 28.696 19.250 ( 0.614 -4.048 4.242) 5.896 ======================= Grid point 582 (249/1062) ======================= q-point: (-0.35 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 5.530 -5.893 11.382) 13.959 4.408 ( -1.713 -42.218 5.032) 42.552 6.048 ( -10.027 3.633 -13.365) 17.098 6.547 ( -0.223 -30.951 1.478) 30.988 7.032 ( 1.411 -0.366 -6.283) 6.450 7.539 ( -0.138 -38.138 9.349) 39.267 7.984 ( 3.035 -19.230 3.574) 19.793 9.463 ( -2.375 25.688 -0.476) 25.802 16.216 ( -0.098 -0.296 -3.293) 3.308 17.675 ( 1.053 -0.134 2.374) 2.600 18.067 ( -0.181 17.732 -0.638) 17.744 19.287 ( 1.413 3.478 5.508) 6.666 ======================= Grid point 583 (250/1062) ======================= q-point: (-0.30 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 7.096 -9.186 13.432) 17.753 5.232 ( -0.963 -44.734 5.956) 45.139 5.815 ( -12.227 3.925 -15.341) 20.006 6.850 ( -6.240 6.051 0.201) 8.694 7.091 ( 4.309 -22.451 -0.814) 22.875 8.146 ( 6.051 -15.033 8.494) 18.296 8.585 ( -2.268 -39.974 -0.490) 40.041 8.957 ( -3.364 22.576 0.539) 22.832 15.976 ( -0.338 23.080 -5.716) 23.780 17.694 ( 0.974 0.324 0.422) 1.109 17.960 ( -0.374 -5.238 2.871) 5.985 19.204 ( 2.088 9.756 6.903) 12.132 ======================= Grid point 584 (251/1062) ======================= q-point: (-0.25 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 8.845 -12.012 14.740) 20.971 5.508 ( -12.385 5.229 -15.053) 20.183 6.091 ( -2.310 -38.751 4.549) 39.085 6.707 ( -3.986 2.139 1.573) 4.789 7.506 ( 2.385 -19.338 0.117) 19.485 8.255 ( -3.667 27.307 1.509) 27.593 8.477 ( 1.673 -5.236 2.978) 6.252 9.456 ( -0.190 -40.716 2.083) 40.769 15.412 ( -0.271 32.667 -6.285) 33.267 17.701 ( -0.103 -1.270 -2.152) 2.501 18.160 ( -0.403 -12.222 4.006) 12.869 19.054 ( 2.727 11.688 8.170) 14.519 ======================= Grid point 585 (252/1062) ======================= q-point: (-0.20 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.657 ( 10.633 -13.310 15.701) 23.168 5.242 ( -12.836 4.100 -15.562) 20.585 6.400 ( -1.621 1.639 0.127) 2.309 7.002 ( -3.383 -30.318 7.205) 31.345 7.591 ( -10.604 31.283 -2.131) 33.100 7.854 ( 5.317 -12.625 0.546) 13.709 8.657 ( 2.751 -6.747 3.603) 8.129 10.116 ( -0.028 -29.843 1.988) 29.909 14.797 ( -0.180 29.919 -5.414) 30.406 17.709 ( -0.843 -1.330 -3.926) 4.230 18.361 ( -0.515 -6.933 3.389) 7.734 18.940 ( 2.885 6.130 8.025) 10.502 ======================= Grid point 586 (253/1062) ======================= q-point: (-0.15 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.040 ( 10.835 -9.764 15.743) 21.461 5.054 ( -9.300 -1.620 -12.851) 15.946 6.321 ( -0.799 4.329 0.495) 4.430 6.902 ( -10.028 31.102 -5.364) 33.116 7.449 ( -3.255 -15.614 4.139) 16.478 8.135 ( 3.372 -12.064 2.456) 12.765 8.780 ( 2.040 -3.175 2.254) 4.395 10.541 ( 0.169 -15.457 1.152) 15.501 14.325 ( -0.293 17.925 -2.867) 18.156 17.697 ( -0.598 0.185 -3.109) 3.172 18.427 ( -0.327 -0.198 2.544) 2.572 18.956 ( 1.826 -1.495 4.056) 4.692 ======================= Grid point 587 (254/1062) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.265 ( 6.203 -0.353 11.058) 12.683 5.051 ( -1.724 -3.758 -3.395) 5.350 6.232 ( -1.221 7.361 -0.957) 7.523 6.351 ( -5.754 12.031 -8.207) 15.659 7.555 ( -1.597 2.189 -0.894) 2.853 8.313 ( 1.399 -2.536 4.118) 5.035 8.823 ( 1.547 0.989 1.019) 2.100 10.679 ( 0.506 0.971 -0.573) 1.236 14.159 ( -0.724 -1.290 1.417) 2.049 17.672 ( 0.309 1.590 0.657) 1.748 18.429 ( -0.497 -0.205 -0.185) 0.569 19.013 ( 0.514 -2.601 -1.722) 3.161 ======================= Grid point 588 (255/1062) ======================= q-point: (-0.05 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.315 ( 4.685 2.067 7.215) 8.848 4.897 ( -4.921 19.092 0.415) 19.720 6.221 ( 3.932 -12.163 -9.433) 15.887 6.284 ( 2.876 -2.952 1.353) 4.338 7.347 ( 0.169 18.075 -6.033) 19.056 8.290 ( -0.770 6.666 5.017) 8.379 8.777 ( 1.573 5.438 -0.008) 5.661 10.512 ( 0.880 16.889 -2.252) 17.061 14.369 ( -1.348 -19.827 5.794) 20.700 17.654 ( 0.973 2.018 3.963) 4.552 18.411 ( -0.046 2.197 -2.368) 3.230 19.052 ( -1.193 -5.192 -7.871) 9.505 ======================= Grid point 598 (256/1062) ======================= q-point: ( 0.45 0.45 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -3.403 0.000 7.009) 7.791 2.378 ( -3.059 0.000 7.879) 8.452 3.090 ( -3.550 0.000 2.785) 4.512 4.628 ( 2.845 -0.000 -4.197) 5.070 6.655 ( -1.364 0.000 -3.587) 3.837 6.900 ( 14.708 -0.000 1.217) 14.759 7.920 ( -1.978 0.000 1.040) 2.235 10.800 ( 1.410 -0.000 0.166) 1.420 14.990 ( 0.151 -0.000 0.990) 1.001 17.879 ( -0.519 0.000 1.194) 1.302 18.518 ( 0.458 -0.000 -1.093) 1.185 19.979 ( -2.389 0.000 -0.790) 2.517 ======================= Grid point 599 (257/1062) ======================= q-point: ( 0.50 0.45 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -1.939 -31.514 5.069) 31.978 2.445 ( -3.241 -23.512 9.544) 25.581 3.050 ( -2.839 2.315 2.876) 4.657 4.765 ( 2.634 -14.462 -3.823) 15.189 6.567 ( -4.211 2.185 -11.222) 12.184 7.068 ( 12.637 -3.170 8.482) 15.547 7.874 ( -2.256 3.959 1.503) 4.798 10.743 ( 0.404 6.856 -0.370) 6.878 15.096 ( -0.112 -10.699 1.097) 10.756 17.859 ( -0.136 2.474 1.702) 3.006 18.606 ( 0.240 -9.495 -1.241) 9.579 19.853 ( -1.611 11.254 -1.681) 11.492 ======================= Grid point 600 (258/1062) ======================= q-point: (-0.45 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 0.553 -2.382 10.219) 10.507 3.039 ( -2.750 -3.628 3.342) 5.647 3.543 ( -3.130 -67.928 3.515) 68.091 5.141 ( 2.514 -25.688 -2.889) 25.972 6.421 ( -5.370 3.367 -12.779) 14.265 7.278 ( 7.682 -6.395 9.239) 13.611 7.755 ( -1.948 7.945 1.488) 8.314 10.558 ( -0.612 12.879 -0.941) 12.928 15.365 ( -0.259 -17.704 0.771) 17.723 17.810 ( 0.337 3.809 2.257) 4.441 18.826 ( 0.631 -13.443 -0.676) 13.475 19.541 ( -0.856 20.407 -1.743) 20.499 ======================= Grid point 601 (259/1062) ======================= q-point: (-0.40 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 3.753 -1.657 11.357) 12.076 3.229 ( -3.397 -18.871 4.058) 19.599 4.766 ( -3.684 -65.077 2.260) 65.220 5.698 ( 2.650 -34.298 -1.909) 34.453 6.247 ( -6.442 3.528 -13.837) 15.665 7.468 ( -8.996 -4.336 8.908) 13.382 7.615 ( 10.528 5.265 1.231) 11.835 10.262 ( -1.885 17.820 -1.249) 17.963 15.714 ( -0.226 -19.725 0.015) 19.727 17.754 ( 0.729 3.792 2.770) 4.753 18.963 ( 0.865 11.772 -4.623) 12.677 19.198 ( 0.552 3.887 4.205) 5.753 ======================= Grid point 602 (260/1062) ======================= q-point: (-0.35 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 5.763 -3.281 13.221) 14.791 3.711 ( -2.923 -33.776 4.509) 34.201 5.729 ( -9.713 -36.287 -3.355) 37.714 6.087 ( -4.396 -7.395 -8.912) 12.387 6.475 ( 5.418 -45.877 -3.538) 46.331 7.326 ( -10.679 6.373 5.078) 13.433 7.812 ( 8.524 -9.653 5.107) 13.853 9.872 ( -3.373 21.989 -1.037) 22.270 16.042 ( -0.232 -15.240 -1.239) 15.292 17.716 ( 0.923 2.376 3.127) 4.034 18.498 ( 0.342 27.584 -3.417) 27.797 19.321 ( 2.487 -4.256 5.867) 7.663 ======================= Grid point 603 (261/1062) ======================= q-point: (-0.30 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 6.998 -6.474 14.656) 17.484 4.428 ( -2.092 -43.527 5.469) 43.919 5.706 ( -15.420 2.993 -15.679) 22.194 6.546 ( -1.541 -29.073 1.452) 29.150 7.004 ( 1.226 2.208 -4.280) 4.970 7.583 ( -3.301 -48.364 6.961) 48.974 8.089 ( 4.490 -12.847 3.513) 14.055 9.400 ( -4.855 25.722 -0.357) 26.179 16.179 ( -0.371 1.216 -3.672) 3.885 17.717 ( 1.030 0.091 2.888) 3.068 18.060 ( 0.106 16.531 -0.830) 16.552 19.383 ( 3.274 3.448 7.255) 8.674 ======================= Grid point 604 (262/1062) ======================= q-point: (-0.25 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 8.263 -9.995 15.302) 20.058 5.276 ( -1.336 -45.714 7.112) 46.283 5.430 ( -16.817 3.731 -17.239) 24.370 6.766 ( -5.514 3.785 1.857) 6.942 7.137 ( 2.976 -21.103 -1.811) 21.389 8.303 ( 3.915 -13.719 6.681) 15.753 8.530 ( -3.950 -32.710 -0.578) 32.952 8.903 ( -4.107 14.621 1.011) 15.220 15.914 ( -0.314 23.684 -6.199) 24.484 17.712 ( 0.889 2.505 0.156) 2.662 17.980 ( -0.707 -6.586 3.253) 7.379 19.322 ( 3.792 9.753 8.443) 13.445 ======================= Grid point 605 (263/1062) ======================= q-point: (-0.20 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( 9.832 -13.246 15.530) 22.656 5.129 ( -16.139 4.708 -16.706) 23.701 6.105 ( -2.298 -37.647 5.375) 38.098 6.672 ( -3.203 -0.731 3.322) 4.672 7.518 ( -0.778 -17.832 -0.900) 17.872 8.180 ( -6.035 30.880 -0.040) 31.464 8.542 ( 1.977 -9.191 3.471) 10.022 9.472 ( -0.412 -40.997 2.190) 41.057 15.348 ( -0.086 32.359 -6.778) 33.062 17.679 ( -0.336 0.737 -1.922) 2.086 18.187 ( -0.836 -12.186 3.774) 12.785 19.190 ( 4.134 11.926 9.189) 15.613 ======================= Grid point 606 (264/1062) ======================= q-point: (-0.15 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( 11.516 -14.329 16.099) 24.436 4.870 ( -14.684 0.967 -17.052) 22.524 6.373 ( -1.961 0.986 -0.016) 2.195 7.028 ( -2.933 -29.207 8.555) 30.575 7.398 ( -12.544 29.334 0.355) 31.905 7.934 ( 4.934 -10.271 -1.084) 11.446 8.710 ( 0.875 -6.683 1.674) 6.945 10.133 ( -0.266 -29.822 2.084) 29.896 14.743 ( 0.016 29.019 -5.746) 29.582 17.659 ( -1.040 -0.581 -3.686) 3.873 18.384 ( -0.775 -7.132 3.530) 7.996 19.068 ( 3.804 8.440 8.059) 12.274 ======================= Grid point 607 (265/1062) ======================= q-point: (-0.10 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.335 ( 7.582 -3.665 13.471) 15.886 4.788 ( -6.965 -13.412 -13.995) 20.597 6.313 ( -0.806 2.864 0.443) 3.008 6.714 ( -10.091 31.969 -0.390) 33.526 7.454 ( -1.950 -13.232 5.519) 14.469 8.190 ( 2.010 -12.279 0.339) 12.447 8.812 ( 0.489 -3.327 0.191) 3.368 10.553 ( -0.015 -15.078 1.025) 15.113 14.294 ( -0.195 16.355 -2.929) 16.616 17.654 ( -0.854 -1.692 -3.561) 4.034 18.453 ( -0.281 0.501 3.923) 3.965 19.022 ( 2.333 2.743 3.223) 4.833 ======================= Grid point 608 (266/1062) ======================= q-point: (-0.05 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.367 ( -1.047 1.718 0.841) 2.180 5.023 ( 1.008 -8.120 -1.238) 8.276 6.190 ( -1.287 14.230 0.394) 14.294 6.284 ( 0.360 0.388 0.148) 0.549 7.537 ( -0.515 4.151 0.545) 4.218 8.347 ( -0.579 -2.590 1.807) 3.211 8.838 ( 0.455 0.674 -1.118) 1.383 10.680 ( 0.417 1.486 -0.804) 1.740 14.161 ( -0.781 -3.161 1.396) 3.543 17.675 ( -0.053 -1.849 -0.507) 1.918 18.433 ( -0.187 2.256 2.245) 3.188 19.002 ( 0.755 1.520 -2.826) 3.296 ======================= Grid point 619 (267/1062) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -5.109 0.000 5.722) 7.671 2.435 ( -2.712 0.000 12.904) 13.186 3.074 ( -1.254 0.000 1.943) 2.313 4.630 ( 2.499 -0.000 -4.217) 4.902 6.487 ( -5.654 0.000 -13.829) 14.940 7.169 ( 7.655 -0.000 11.444) 13.768 7.910 ( -0.678 0.000 1.751) 1.877 10.804 ( -0.452 0.000 -0.626) 0.773 15.000 ( -0.297 0.000 1.436) 1.466 17.890 ( -0.011 0.000 2.196) 2.196 18.508 ( 0.108 -0.000 -1.893) 1.896 19.935 ( -0.934 0.000 -2.852) 3.001 ======================= Grid point 620 (268/1062) ======================= q-point: (-0.45 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -4.027 -48.180 3.706) 48.489 2.507 ( -4.368 -7.779 14.662) 17.163 3.049 ( 0.638 2.461 1.280) 2.847 4.768 ( 2.316 -14.862 -3.657) 15.480 6.355 ( -7.325 1.760 -14.004) 15.902 7.285 ( 2.373 -2.421 11.459) 11.950 7.876 ( 0.785 4.485 1.539) 4.807 10.730 ( -1.174 7.059 -0.829) 7.204 15.103 ( -0.501 -10.521 1.409) 10.626 17.881 ( 0.330 2.282 2.743) 3.583 18.597 ( 0.330 -10.184 -1.577) 10.311 19.814 ( -0.217 10.980 -3.559) 11.544 ======================= Grid point 621 (269/1062) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -2.679 -5.371 13.881) 15.123 3.040 ( 0.578 -2.890 1.558) 3.333 3.519 ( -3.830 -67.226 3.054) 67.405 5.154 ( 2.275 -26.320 -2.430) 26.530 6.179 ( -9.296 3.057 -14.052) 17.124 7.387 ( -5.199 -3.280 10.674) 12.317 7.792 ( 4.721 6.356 0.516) 7.934 10.524 ( -2.300 13.355 -1.057) 13.593 15.366 ( -0.559 -17.461 0.870) 17.491 17.844 ( 0.709 3.619 3.270) 4.928 18.839 ( 1.674 -14.342 -0.011) 14.440 19.514 ( 0.416 19.396 -3.273) 19.675 ======================= Grid point 622 (270/1062) ======================= q-point: (-0.35 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 1.072 -5.441 13.983) 15.043 3.221 ( -1.126 -17.794 2.514) 18.006 4.714 ( -5.272 -63.057 1.538) 63.296 5.723 ( 2.241 -34.395 -0.770) 34.477 5.983 ( -9.960 1.197 -14.431) 17.575 7.369 ( -11.076 3.490 7.620) 13.890 7.792 ( 7.690 -1.568 1.212) 7.941 10.205 ( -3.800 18.253 -1.019) 18.673 15.709 ( -0.538 -19.386 0.015) 19.394 17.798 ( 0.961 3.732 3.650) 5.308 18.940 ( 1.393 16.491 -4.209) 17.076 19.262 ( 2.917 -2.562 4.088) 5.638 ======================= Grid point 623 (271/1062) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 4.386 -5.490 14.119) 15.771 3.706 ( -2.622 -34.641 3.506) 34.916 5.464 ( -15.709 -15.981 -8.424) 23.940 5.985 ( -2.198 -25.832 -3.248) 26.128 6.519 ( 4.291 -48.235 -3.065) 48.523 7.213 ( -9.959 5.750 5.811) 12.885 7.946 ( 3.736 -8.525 1.752) 9.471 9.796 ( -5.260 22.200 -0.355) 22.817 16.024 ( -0.594 -14.435 -1.189) 14.496 17.764 ( 0.952 2.564 3.724) 4.620 18.473 ( 0.849 26.794 -3.828) 27.079 19.438 ( 4.828 -4.621 7.082) 9.737 ======================= Grid point 624 (272/1062) ======================= q-point: (-0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 5.841 -8.241 13.792) 17.095 4.437 ( -3.148 -44.764 3.941) 45.048 5.309 ( -17.239 3.580 -12.163) 21.400 6.531 ( -2.081 -26.985 1.582) 27.111 6.985 ( 0.572 2.781 -3.078) 4.187 7.587 ( -2.993 -53.716 4.801) 54.013 8.150 ( 0.118 -11.067 0.490) 11.079 9.315 ( -6.100 25.555 0.919) 26.289 16.137 ( -0.620 2.673 -3.482) 4.434 17.759 ( 0.883 0.671 2.775) 2.989 18.055 ( 0.243 15.417 -0.939) 15.447 19.524 ( 5.389 3.643 8.416) 10.637 ======================= Grid point 625 (273/1062) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( 6.711 -12.098 12.519) 18.658 4.995 ( -18.075 -0.136 -14.938) 23.450 5.330 ( -1.412 -42.163 8.265) 42.989 6.714 ( -3.843 2.832 2.551) 5.412 7.147 ( 0.648 -20.338 -2.232) 20.470 8.328 ( -4.674 -8.746 -2.837) 10.315 8.500 ( -1.333 -30.832 5.681) 31.379 8.857 ( -3.299 6.492 1.588) 7.453 15.852 ( -0.312 24.299 -5.907) 25.009 17.724 ( 0.695 4.381 -0.259) 4.443 17.997 ( -1.014 -7.394 3.192) 8.117 19.478 ( 5.550 10.051 9.165) 14.691 ======================= Grid point 626 (274/1062) ======================= q-point: (-0.15 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.837 ( 7.225 -16.493 10.003) 20.598 4.737 ( -14.888 4.544 -11.743) 19.499 6.114 ( -2.786 -33.905 4.785) 34.355 6.672 ( -1.803 -4.552 4.938) 6.953 7.458 ( -5.718 -12.000 -0.993) 13.330 8.086 ( -5.112 21.720 -0.799) 22.328 8.587 ( 0.122 -6.295 2.009) 6.609 9.484 ( -0.593 -41.412 2.074) 41.468 15.284 ( 0.038 32.152 -6.499) 32.802 17.655 ( -0.529 2.554 -1.711) 3.119 18.204 ( -1.203 -12.210 3.283) 12.701 19.351 ( 5.433 12.675 9.221) 16.589 ======================= Grid point 627 (275/1062) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.271 ( 6.264 -21.223 4.536) 22.588 4.512 ( -9.929 4.169 -7.061) 12.877 6.339 ( -2.020 -0.079 -0.505) 2.083 7.052 ( -5.607 -19.011 8.421) 21.536 7.235 ( -9.581 17.860 4.391) 20.738 7.982 ( 3.344 -9.081 -2.556) 10.009 8.714 ( -1.061 -6.808 -0.657) 6.921 10.146 ( -0.458 -29.785 1.892) 29.849 14.691 ( 0.135 28.218 -5.405) 28.731 17.609 ( -1.127 0.292 -3.247) 3.450 18.402 ( -1.054 -7.860 3.254) 8.572 19.207 ( 4.644 11.239 7.412) 14.241 ======================= Grid point 628 (276/1062) ======================= q-point: (-0.05 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.357 ( -8.405 0.187 -9.407) 12.617 4.738 ( 7.167 -19.746 4.441) 21.471 6.299 ( -0.938 1.652 -1.045) 2.168 6.603 ( -7.507 27.676 7.175) 29.560 7.490 ( -0.818 -10.888 6.511) 12.713 8.202 ( 0.297 -11.936 -1.812) 12.076 8.799 ( -0.983 -3.903 -2.074) 4.528 10.560 ( -0.161 -14.725 0.696) 14.742 14.265 ( -0.165 14.942 -2.570) 15.162 17.606 ( -1.001 -2.772 -3.454) 4.541 18.487 ( -0.410 -0.219 4.245) 4.270 19.090 ( 2.930 7.554 2.435) 8.460 ======================= Grid point 640 (277/1062) ======================= q-point: (-0.45 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -6.976 0.000 4.761) 8.446 2.502 ( -7.137 0.000 15.399) 16.972 3.098 ( 3.294 -0.000 0.260) 3.305 4.627 ( 2.154 -0.000 -4.216) 4.734 6.242 ( -9.596 0.000 -12.736) 15.946 7.324 ( -0.894 0.000 10.902) 10.939 7.933 ( 1.272 -0.000 1.592) 2.038 10.784 ( -1.206 0.000 -0.122) 1.213 15.007 ( -0.739 0.000 1.796) 1.942 17.919 ( 0.514 -0.000 3.159) 3.200 18.486 ( -0.245 0.000 -2.538) 2.550 19.896 ( 0.442 -0.000 -4.703) 4.724 ======================= Grid point 641 (278/1062) ======================= q-point: (-0.40 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -5.881 -52.337 2.861) 52.744 2.538 ( -10.330 -5.048 14.613) 18.594 3.106 ( 5.448 2.037 0.333) 5.826 4.768 ( 2.027 -15.441 -3.580) 15.980 6.084 ( -11.984 2.037 -11.216) 16.540 7.362 ( -4.290 -0.833 9.575) 10.525 7.913 ( 1.688 3.694 0.462) 4.088 10.703 ( -1.696 7.939 0.495) 8.133 15.107 ( -0.869 -10.342 1.628) 10.506 17.920 ( 0.818 2.157 3.598) 4.274 18.589 ( 0.579 -12.067 -1.511) 12.176 19.779 ( 1.009 10.705 -5.258) 11.969 ======================= Grid point 642 (279/1062) ======================= q-point: (-0.35 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -9.835 -9.722 11.699) 18.114 3.090 ( 3.515 -5.065 0.661) 6.200 3.488 ( -3.530 -63.478 3.164) 63.655 5.165 ( 2.045 -27.164 -2.476) 27.353 5.881 ( -13.827 3.368 -9.969) 17.375 7.364 ( -7.847 0.576 8.297) 11.435 7.854 ( 2.318 3.200 -1.689) 4.298 10.476 ( -3.263 14.773 0.497) 15.138 15.364 ( -0.847 -17.185 0.909) 17.229 17.892 ( 1.083 3.519 3.878) 5.347 18.882 ( 3.039 -15.988 1.434) 16.337 19.492 ( 1.643 17.939 -4.789) 18.640 ======================= Grid point 643 (280/1062) ======================= q-point: (-0.30 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -6.357 -14.365 11.684) 19.577 3.250 ( 2.247 -13.284 0.522) 13.483 4.633 ( -6.649 -58.446 1.391) 58.839 5.687 ( -12.781 -2.342 -9.448) 16.066 5.754 ( 2.263 -35.207 -0.119) 35.280 7.282 ( -8.350 5.162 6.008) 11.509 7.852 ( 0.588 -3.307 -2.724) 4.324 10.132 ( -5.168 19.268 0.513) 19.956 15.698 ( -0.847 -19.015 0.056) 19.034 17.851 ( 1.175 3.803 4.049) 5.678 18.925 ( 1.551 20.450 -3.832) 20.864 19.370 ( 5.939 -8.480 4.505) 11.290 ======================= Grid point 644 (281/1062) ======================= q-point: (-0.25 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -0.202 -10.244 11.183) 15.167 3.681 ( -3.353 -34.195 -0.456) 34.362 5.143 ( -15.930 -6.269 -4.142) 17.613 5.935 ( -2.451 -34.744 -0.307) 34.832 6.552 ( 3.065 -49.679 -2.082) 49.817 7.128 ( -7.184 6.366 4.562) 10.628 7.948 ( -2.867 -9.118 -3.026) 10.025 9.708 ( -6.518 22.421 1.258) 23.383 16.002 ( -0.929 -13.684 -0.938) 13.747 17.814 ( 0.943 3.035 3.847) 4.990 18.452 ( 1.088 26.212 -3.957) 26.531 19.604 ( 7.472 -4.793 7.894) 11.880 ======================= Grid point 645 (282/1062) ======================= q-point: (-0.20 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 1.193 -11.023 7.659) 13.476 4.361 ( -8.251 -41.812 -3.660) 42.775 5.021 ( -10.763 0.151 1.973) 10.943 6.514 ( -2.222 -25.926 2.008) 26.098 6.959 ( -0.340 2.683 -2.939) 3.994 7.584 ( -2.178 -55.222 3.169) 55.355 8.092 ( -5.571 -11.556 -3.593) 13.323 9.233 ( -6.642 24.572 2.569) 25.584 16.096 ( -0.822 3.916 -2.876) 4.928 17.795 ( 0.680 1.688 2.258) 2.900 18.049 ( 0.248 14.366 -0.973) 14.401 19.706 ( 7.488 4.241 8.793) 12.304 ======================= Grid point 646 (283/1062) ======================= q-point: (-0.15 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( -0.841 -14.835 1.070) 14.897 4.645 ( -12.480 -2.674 -4.641) 13.581 5.390 ( -1.305 -39.639 9.228) 40.720 6.694 ( -2.118 2.067 3.045) 4.246 7.111 ( -2.349 -19.011 -2.805) 19.360 8.170 ( -8.928 -6.700 -5.222) 12.324 8.544 ( -1.026 -32.200 5.678) 32.713 8.821 ( -3.449 2.479 1.199) 4.414 15.796 ( -0.304 24.884 -5.024) 25.388 17.728 ( 0.438 5.819 -0.636) 5.870 18.008 ( -1.238 -7.687 2.787) 8.270 19.663 ( 7.078 10.743 8.884) 15.634 ======================= Grid point 647 (284/1062) ======================= q-point: (-0.10 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( -6.632 -18.573 -10.351) 22.273 4.570 ( -1.575 2.695 7.865) 8.462 6.105 ( -3.323 -29.131 3.409) 29.518 6.707 ( -0.480 -8.465 6.185) 10.495 7.329 ( -9.778 -5.676 -0.125) 11.307 8.013 ( -3.114 10.473 -1.192) 10.991 8.576 ( -2.577 -3.845 -0.302) 4.639 9.492 ( -0.668 -41.798 1.769) 41.841 15.229 ( 0.122 32.061 -5.541) 32.537 17.631 ( -0.650 4.053 -1.536) 4.383 18.211 ( -1.467 -12.286 2.657) 12.656 19.527 ( 6.403 13.844 8.239) 17.336 ======================= Grid point 648 (285/1062) ======================= q-point: (-0.05 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.035 ( -12.092 -15.619 -18.950) 27.373 4.654 ( 7.664 -3.802 14.541) 16.871 6.298 ( -2.185 -1.251 -1.515) 2.939 6.990 ( -10.476 8.721 8.642) 16.139 7.218 ( -2.048 -13.605 8.294) 16.065 7.989 ( 1.286 -7.736 -3.931) 8.772 8.666 ( -2.736 -7.401 -2.949) 8.424 10.154 ( -0.560 -29.712 1.455) 29.752 14.647 ( 0.186 27.593 -4.428) 27.947 17.564 ( -1.094 1.107 -2.699) 3.116 18.412 ( -1.284 -8.726 2.683) 9.219 19.348 ( 5.202 14.057 6.092) 16.179 ======================= Grid point 661 (286/1062) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -8.978 0.000 4.189) 9.907 2.476 ( -13.266 0.000 12.826) 18.453 3.171 ( 5.647 -0.000 -1.263) 5.787 4.618 ( 1.852 -0.000 -4.186) 4.577 5.957 ( -14.492 0.000 -7.297) 16.225 7.366 ( -3.945 0.000 7.311) 8.307 7.951 ( -0.725 0.000 -0.510) 0.886 10.779 ( -0.726 0.000 2.954) 3.042 15.010 ( -1.131 0.000 2.038) 2.331 17.966 ( 1.077 -0.000 4.027) 4.169 18.454 ( -0.570 0.000 -2.966) 3.021 19.860 ( 1.512 -0.000 -6.274) 6.454 ======================= Grid point 662 (287/1062) ======================= q-point: (-0.35 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -7.452 -54.151 2.396) 54.714 2.456 ( -15.072 -4.930 10.670) 19.113 3.191 ( 4.666 0.427 -1.652) 4.968 4.764 ( 1.726 -15.998 -3.743) 16.520 5.788 ( -16.151 2.508 -3.797) 16.780 7.358 ( -4.744 0.605 5.674) 7.420 7.901 ( -2.486 2.806 -3.224) 4.944 10.698 ( -1.414 10.072 4.225) 11.014 15.106 ( -1.176 -10.160 1.721) 10.371 17.973 ( 1.307 2.225 4.095) 4.841 18.591 ( 1.166 -15.621 -0.783) 15.684 19.746 ( 1.903 10.428 -6.713) 12.547 ======================= Grid point 663 (288/1062) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -13.602 -12.859 7.626) 20.212 3.104 ( -1.950 -15.970 -2.702) 16.314 3.476 ( -2.100 -53.776 3.021) 53.902 5.162 ( 0.848 -27.142 -4.061) 27.457 5.597 ( -15.240 2.832 0.361) 15.505 7.318 ( -5.883 2.291 5.137) 8.140 7.804 ( -4.021 1.531 -6.736) 7.993 10.437 ( -4.097 17.518 3.473) 18.323 15.357 ( -1.097 -16.890 0.871) 16.948 17.949 ( 1.453 3.528 3.993) 5.523 18.966 ( 4.727 -17.588 3.905) 18.626 19.475 ( 2.965 15.297 -6.285) 16.802 ======================= Grid point 664 (289/1062) ======================= q-point: (-0.25 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -10.578 -22.399 8.026) 26.039 3.240 ( -2.499 -11.080 -5.931) 12.814 4.547 ( -6.407 -51.925 2.948) 52.401 5.437 ( -12.123 -9.990 -0.925) 15.737 5.794 ( 2.130 -33.908 1.287) 33.999 7.221 ( -5.261 5.892 3.664) 8.707 7.754 ( -6.495 -4.941 -8.197) 11.566 10.055 ( -6.614 20.739 2.592) 21.922 15.684 ( -1.131 -18.674 0.127) 18.708 17.909 ( 1.402 4.016 4.011) 5.846 18.914 ( 1.445 23.344 -3.554) 23.658 19.535 ( 9.401 -13.015 5.424) 16.946 ======================= Grid point 665 (290/1062) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -5.985 -14.121 5.721) 16.369 3.551 ( -8.587 -34.180 -8.362) 36.220 4.953 ( -9.394 -4.482 7.537) 12.851 5.898 ( -3.251 -38.652 2.037) 38.842 6.577 ( 2.281 -49.427 -1.358) 49.499 7.071 ( -4.401 6.994 2.221) 8.557 7.804 ( -8.818 -10.694 -7.596) 15.806 9.616 ( -7.887 22.395 2.704) 23.897 15.978 ( -1.214 -13.098 -0.558) 13.166 17.864 ( 0.965 3.805 3.620) 5.340 18.432 ( 1.107 25.807 -3.850) 26.116 19.817 ( 10.031 -4.321 8.119) 13.609 ======================= Grid point 666 (291/1062) ======================= q-point: (-0.15 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( -8.541 -12.150 -4.959) 15.658 4.158 ( -9.667 -37.472 -3.745) 38.880 5.018 ( -1.758 -7.373 14.511) 16.371 6.499 ( -2.581 -26.370 2.745) 26.638 6.916 ( -0.935 3.566 -4.141) 5.544 7.574 ( -2.550 -52.946 1.835) 53.039 7.930 ( -8.416 -15.411 -5.907) 18.526 9.149 ( -7.835 23.088 3.096) 24.577 16.059 ( -0.961 4.828 -2.024) 5.322 17.822 ( 0.517 3.147 1.575) 3.557 18.044 ( 0.160 13.361 -0.926) 13.394 19.917 ( 9.168 5.368 8.184) 13.411 ======================= Grid point 667 (292/1062) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( -12.432 -14.907 -13.313) 23.537 4.559 ( -2.308 -11.200 8.028) 13.972 5.463 ( -0.916 -33.694 9.950) 35.144 6.705 ( -0.361 1.471 3.268) 3.602 7.018 ( -5.819 -17.410 -3.423) 18.673 7.984 ( -8.392 -9.191 -4.711) 13.308 8.567 ( -2.282 -29.010 4.515) 29.447 8.763 ( -4.611 -3.492 -0.326) 5.793 15.750 ( -0.279 25.364 -3.734) 25.638 17.726 ( 0.190 6.863 -0.888) 6.922 18.011 ( -1.334 -7.597 2.191) 8.019 19.859 ( 8.055 11.804 7.521) 16.149 ======================= Grid point 668 (293/1062) ======================= q-point: (-0.05 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( -13.535 -17.180 -17.601) 28.074 4.731 ( 4.900 -2.641 14.309) 15.354 6.074 ( -3.752 -24.465 1.610) 24.803 6.768 ( 0.482 -11.106 6.460) 12.857 7.174 ( -10.250 -4.614 1.750) 11.376 7.963 ( -2.116 3.526 -1.177) 4.277 8.500 ( -5.243 -2.996 -2.796) 6.655 9.496 ( -0.634 -42.022 1.299) 42.047 15.186 ( 0.167 32.058 -4.044) 32.313 17.607 ( -0.670 5.183 -1.357) 5.399 18.209 ( -1.589 -12.366 1.973) 12.623 19.699 ( 6.824 15.233 6.304) 17.842 ======================= Grid point 682 (294/1062) ======================= q-point: (-0.35 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -11.098 0.000 4.101) 11.831 2.338 ( -17.063 0.000 8.541) 19.082 3.203 ( 1.007 -0.000 -5.508) 5.599 4.606 ( 1.625 -0.000 -4.130) 4.438 5.678 ( -17.465 0.000 2.218) 17.605 7.357 ( -2.674 0.000 2.471) 3.641 7.875 ( -5.992 0.000 -5.486) 8.124 10.829 ( 0.412 -0.000 8.617) 8.627 15.010 ( -1.434 0.000 2.132) 2.570 18.028 ( 1.647 -0.000 4.683) 4.965 18.414 ( -0.842 0.000 -3.131) 3.242 19.825 ( 2.154 -0.000 -7.447) 7.752 ======================= Grid point 683 (295/1062) ======================= q-point: (-0.30 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -8.794 -55.358 2.005) 56.088 2.280 ( -17.782 -6.170 6.812) 20.017 3.173 ( -2.889 -2.105 -6.950) 7.815 4.750 ( 1.215 -15.899 -4.118) 16.469 5.542 ( -16.688 2.285 7.440) 18.413 7.332 ( -2.582 1.385 1.094) 3.127 7.760 ( -8.244 2.354 -9.060) 12.474 10.741 ( -1.435 14.200 9.286) 17.028 15.102 ( -1.395 -9.962 1.664) 10.195 18.035 ( 1.735 2.543 4.030) 5.071 18.617 ( 2.368 -21.531 0.887) 21.679 19.711 ( 2.412 10.156 -7.814) 13.039 ======================= Grid point 684 (296/1062) ======================= q-point: (-0.25 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -15.264 -16.049 4.051) 22.516 2.966 ( -9.761 -19.754 -7.428) 23.252 3.451 ( -4.240 -52.636 1.186) 52.820 5.101 ( -3.412 -21.145 -3.648) 21.727 5.463 ( -9.221 -4.164 11.813) 15.554 7.281 ( -3.193 2.653 1.984) 4.601 7.600 ( -9.993 0.695 -12.978) 16.394 10.408 ( -5.939 21.586 6.277) 23.251 15.346 ( -1.301 -16.595 0.773) 16.664 18.011 ( 1.848 3.585 3.700) 5.474 19.103 ( 6.016 -15.629 7.187) 18.224 19.472 ( 5.290 8.384 -7.566) 12.471 ======================= Grid point 685 (297/1062) ======================= q-point: (-0.20 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -11.759 -28.467 5.123) 31.223 3.025 ( -12.875 -10.352 -13.859) 21.564 4.499 ( -4.516 -49.940 4.691) 50.363 5.309 ( -8.992 -15.454 8.764) 19.912 5.845 ( 2.127 -32.343 2.485) 32.508 7.185 ( -2.307 6.760 0.876) 7.196 7.505 ( -12.129 -7.367 -13.045) 19.276 9.968 ( -8.833 22.221 3.865) 24.223 15.666 ( -1.373 -18.409 0.245) 18.461 17.969 ( 1.684 4.369 3.668) 5.948 18.903 ( 1.212 25.130 -3.322) 25.378 19.765 ( 12.882 -15.308 6.418) 21.012 ======================= Grid point 686 (298/1062) ======================= q-point: (-0.15 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -15.070 -10.258 -7.522) 19.720 3.322 ( -9.392 -41.039 -4.434) 42.333 4.979 ( -2.444 -8.233 15.206) 17.464 5.873 ( -4.170 -39.420 5.079) 39.964 6.595 ( 1.940 -47.448 -2.155) 47.536 7.027 ( -2.558 7.130 -0.395) 7.585 7.553 ( -11.948 -13.537 -9.810) 20.549 9.507 ( -9.799 22.099 3.020) 24.362 15.954 ( -1.426 -12.735 -0.111) 12.815 17.912 ( 1.070 4.827 3.153) 5.864 18.414 ( 0.970 25.543 -3.506) 25.801 20.063 ( 11.986 -2.804 7.461) 14.394 ======================= Grid point 687 (299/1062) ======================= q-point: (-0.10 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -17.136 -12.330 -14.459) 25.588 4.038 ( -5.426 -41.211 1.991) 41.614 5.179 ( 1.696 -8.393 17.833) 19.782 6.476 ( -4.383 -27.513 3.063) 28.028 6.856 ( -0.195 5.207 -6.409) 8.260 7.517 ( -6.504 -40.296 -0.154) 40.818 7.768 ( -4.615 -30.604 -4.274) 31.244 9.039 ( -9.708 21.933 2.323) 24.098 16.029 ( -1.033 5.342 -1.071) 5.545 17.841 ( 0.456 4.958 0.887) 5.057 18.037 ( 0.025 12.423 -0.779) 12.447 20.137 ( 10.027 7.012 6.480) 13.845 ======================= Grid point 688 (300/1062) ======================= q-point: (-0.05 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -16.244 -15.593 -16.304) 27.800 4.642 ( 0.590 -21.527 9.514) 23.543 5.545 ( -0.603 -24.520 9.780) 26.405 6.740 ( 1.460 1.649 1.976) 2.959 6.876 ( -8.233 -17.818 -2.423) 19.777 7.833 ( -5.943 -14.255 -3.338) 15.801 8.545 ( -6.081 -5.610 3.104) 8.837 8.684 ( -3.227 -27.526 -1.659) 27.764 15.718 ( -0.256 25.656 -2.207) 25.752 17.719 ( 0.019 7.601 -0.974) 7.663 18.008 ( -1.288 -7.260 1.525) 7.530 20.047 ( 8.225 13.092 5.143) 16.294 ======================= Grid point 703 (301/1062) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -13.323 0.000 4.653) 14.112 2.113 ( -19.498 0.000 4.351) 19.977 3.065 ( -9.278 0.000 -10.869) 14.291 4.592 ( 1.492 -0.000 -4.057) 4.323 5.482 ( -16.612 0.000 13.250) 21.249 7.331 ( -0.592 0.000 -3.438) 3.489 7.663 ( -10.597 0.000 -10.876) 15.185 10.952 ( 0.954 -0.000 15.018) 15.049 15.006 ( -1.618 0.000 2.061) 2.620 18.103 ( 2.145 -0.000 4.955) 5.399 18.370 ( -1.033 0.000 -3.007) 3.179 19.787 ( 2.352 -0.000 -8.010) 8.348 ======================= Grid point 704 (302/1062) ======================= q-point: (-0.25 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -10.740 -45.144 -0.510) 46.407 2.041 ( -18.847 -19.225 5.326) 27.444 2.956 ( -14.038 -5.529 -10.805) 18.557 4.726 ( 0.689 -14.751 -3.796) 15.247 5.424 ( -13.681 0.274 17.534) 22.242 7.283 ( -3.031 1.030 -6.284) 7.052 7.500 ( -9.643 2.913 -11.969) 15.644 10.816 ( -3.159 21.068 13.374) 25.154 15.094 ( -1.516 -9.736 1.469) 9.962 18.101 ( 2.110 2.832 3.413) 4.911 18.690 ( 4.624 -30.521 3.553) 31.073 19.674 ( 2.553 9.948 -8.358) 13.242 ======================= Grid point 705 (303/1062) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -15.843 -19.940 -0.058) 25.468 2.663 ( -17.874 -13.846 -10.570) 24.958 3.370 ( -7.274 -61.357 1.656) 61.809 5.031 ( -3.726 -17.465 1.887) 17.958 5.493 ( -4.866 -10.073 15.972) 19.500 7.208 ( -10.650 -3.561 -10.491) 15.367 7.312 ( -3.913 6.105 -8.692) 11.319 10.355 ( -9.472 26.225 7.277) 28.817 15.331 ( -1.455 -16.330 0.701) 16.410 18.075 ( 2.304 3.655 3.218) 5.388 19.258 ( 3.353 3.441 6.887) 8.397 19.534 ( 12.357 -15.242 -4.638) 20.162 ======================= Grid point 706 (304/1062) ======================= q-point: (-0.15 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -11.532 -34.297 -5.347) 36.577 2.626 ( -20.715 -9.084 -8.242) 24.074 4.479 ( -4.017 -54.348 4.349) 54.669 5.313 ( -5.531 -17.621 15.331) 24.003 5.905 ( 1.727 -29.418 3.648) 29.694 7.107 ( -8.965 0.510 -16.327) 18.634 7.208 ( -5.890 -3.462 -1.632) 7.024 9.845 ( -11.629 23.038 3.692) 26.070 15.646 ( -1.550 -18.234 0.462) 18.306 18.030 ( 1.990 4.878 3.093) 6.109 18.890 ( 0.954 26.056 -2.982) 26.243 20.052 ( 15.790 -14.646 6.731) 22.565 ======================= Grid point 707 (305/1062) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -21.132 -11.240 -15.675) 28.611 3.193 ( -7.093 -44.118 1.810) 44.721 5.115 ( 0.324 -14.973 15.411) 21.490 5.866 ( -5.259 -35.661 9.002) 37.154 6.580 ( 0.700 -41.987 -7.008) 42.573 6.977 ( -2.305 1.045 -2.320) 3.433 7.291 ( -9.744 -15.112 -7.216) 19.375 9.365 ( -11.631 21.571 2.269) 24.612 15.932 ( -1.543 -12.587 0.373) 12.687 17.956 ( 1.221 5.993 2.419) 6.577 18.397 ( 0.742 25.405 -2.837) 25.574 20.320 ( 12.801 -0.117 5.634) 13.987 ======================= Grid point 708 (306/1062) ======================= q-point: (-0.05 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -19.097 -14.142 -15.084) 28.146 3.995 ( -3.780 -45.442 3.073) 45.703 5.379 ( 2.373 -6.869 16.970) 18.460 6.399 ( -7.974 -25.722 0.066) 26.930 6.810 ( 2.757 2.307 -6.369) 7.313 7.384 ( -8.573 -27.335 -0.754) 28.657 7.711 ( -0.306 -45.923 -1.432) 45.946 8.892 ( -11.101 21.359 0.994) 24.092 16.007 ( -1.049 5.454 -0.120) 5.555 17.854 ( 0.484 6.870 0.233) 6.891 18.030 ( -0.105 11.664 -0.484) 11.675 20.341 ( 9.780 8.975 3.720) 13.785 ======================= Grid point 724 (307/1062) ======================= q-point: (-0.25 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -15.642 0.000 6.099) 16.789 1.816 ( -21.298 0.000 0.119) 21.298 2.720 ( -20.683 0.000 -11.499) 23.665 4.577 ( 1.458 -0.000 -3.982) 4.240 5.406 ( -14.242 0.000 20.792) 25.202 7.193 ( -9.459 0.000 -16.601) 19.106 7.439 ( -2.072 0.000 -7.430) 7.714 11.129 ( 0.229 -0.000 20.138) 20.140 14.999 ( -1.668 0.000 1.821) 2.469 18.185 ( 2.474 -0.000 4.627) 5.247 18.327 ( -1.119 0.000 -2.597) 2.827 19.749 ( 2.126 -0.000 -7.579) 7.871 ======================= Grid point 725 (308/1062) ======================= q-point: (-0.20 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -19.339 -10.344 -3.464) 22.203 1.863 ( -12.647 -55.075 3.422) 56.612 2.567 ( -23.437 -11.560 -7.247) 27.118 4.706 ( 0.759 -13.974 -2.766) 14.265 5.424 ( -11.245 -2.872 22.194) 25.045 6.997 ( -14.650 0.629 -20.332) 25.068 7.378 ( 2.301 3.667 -5.610) 7.086 10.872 ( -7.329 31.404 14.764) 35.467 15.083 ( -1.550 -9.497 1.224) 9.701 18.165 ( 2.584 2.619 2.683) 4.554 18.839 ( 8.916 -43.462 6.666) 44.865 19.635 ( 2.280 10.008 -7.849) 12.922 ======================= Grid point 726 (309/1062) ======================= q-point: (-0.15 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -15.475 -23.602 -7.041) 29.088 2.244 ( -24.354 -10.462 -5.936) 27.163 3.273 ( -8.280 -68.396 4.063) 69.015 5.020 ( -1.678 -19.060 4.298) 19.611 5.587 ( -4.108 -12.041 18.222) 22.224 6.797 ( -16.501 -4.015 -22.117) 27.885 7.291 ( 2.707 5.684 -2.692) 6.847 10.236 ( -14.196 29.768 6.054) 33.531 15.315 ( -1.552 -16.128 0.820) 16.223 18.142 ( 2.720 3.841 2.612) 5.383 19.311 ( 0.671 19.348 -0.053) 19.360 19.798 ( 20.233 -33.024 4.669) 39.010 ======================= Grid point 727 (310/1062) ======================= q-point: (-0.10 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -21.340 -15.303 -18.885) 32.345 2.410 ( -13.119 -33.175 6.169) 36.204 4.453 ( -4.357 -59.313 4.332) 59.630 5.405 ( -2.801 -20.443 17.063) 26.775 5.959 ( 0.091 -23.429 3.996) 23.767 6.718 ( -13.581 -12.533 -20.594) 27.670 7.198 ( 1.158 5.203 0.007) 5.330 9.675 ( -13.834 22.517 2.435) 26.539 15.627 ( -1.631 -18.121 0.848) 18.214 18.087 ( 2.170 5.542 2.183) 6.340 18.878 ( 0.733 26.421 -2.330) 26.533 20.370 ( 17.264 -10.647 5.428) 20.997 ======================= Grid point 728 (311/1062) ======================= q-point: (-0.05 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -21.299 -13.750 -14.052) 28.986 3.113 ( -6.094 -46.419 2.857) 46.905 5.256 ( 0.788 -24.626 12.085) 27.443 5.871 ( -6.880 -23.703 11.092) 27.060 6.463 ( -2.270 -35.138 -14.304) 38.006 6.928 ( -1.499 -23.287 -0.771) 23.348 7.147 ( -3.474 -4.314 -2.195) 5.958 9.193 ( -12.191 20.811 1.044) 24.141 15.914 ( -1.546 -12.585 0.886) 12.711 17.993 ( 1.292 7.124 1.232) 7.344 18.385 ( 0.500 25.386 -1.660) 25.445 20.554 ( 12.042 3.372 2.488) 12.750 ======================= Grid point 745 (312/1062) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -18.024 0.000 8.849) 20.080 1.455 ( -22.560 0.000 -3.982) 22.908 2.243 ( -29.469 0.000 -5.126) 29.912 4.563 ( 1.513 -0.000 -3.921) 4.203 5.402 ( -13.320 0.000 22.608) 26.240 6.797 ( -14.500 0.000 -22.499) 26.766 7.412 ( 4.930 -0.000 -7.061) 8.612 11.327 ( -1.036 0.000 23.033) 23.056 14.988 ( -1.580 0.000 1.428) 2.130 18.263 ( 2.570 -0.000 3.472) 4.320 18.288 ( -1.084 0.000 -1.934) 2.217 19.715 ( 1.427 -0.000 -5.312) 5.500 ======================= Grid point 746 (313/1062) ======================= q-point: (-0.15 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -19.938 -12.319 -7.522) 24.614 1.670 ( -15.936 -43.654 1.240) 46.488 2.151 ( -26.500 -29.044 4.929) 39.625 4.700 ( 1.431 -14.507 -1.902) 14.701 5.463 ( -10.829 -6.747 21.399) 24.914 6.550 ( -14.992 1.973 -22.989) 27.517 7.388 ( 4.955 3.479 -5.398) 8.111 10.838 ( -14.439 45.331 12.487) 49.187 15.070 ( -1.518 -9.329 1.157) 9.522 18.232 ( 3.090 2.202 2.098) 4.336 19.112 ( 18.181 -61.178 7.550) 64.267 19.603 ( 1.055 10.857 -3.759) 11.537 ======================= Grid point 747 (314/1062) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -16.845 -21.317 -15.331) 31.196 1.854 ( -24.606 -16.983 6.190) 30.532 3.195 ( -8.162 -72.151 6.611) 72.911 5.050 ( 0.325 -21.661 3.918) 22.015 5.697 ( -4.571 -14.187 19.062) 24.198 6.327 ( -14.959 -4.008 -24.503) 28.987 7.320 ( 3.878 5.650 -2.199) 7.197 10.025 ( -18.409 29.700 3.341) 35.102 15.300 ( -1.575 -15.982 1.288) 16.111 18.206 ( 2.806 4.249 1.678) 5.361 19.308 ( 0.780 20.354 -2.369) 20.507 20.213 ( 24.925 -29.621 7.087) 39.355 ======================= Grid point 748 (315/1062) ======================= q-point: (-0.05 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -21.485 -14.967 -13.307) 29.371 2.282 ( -10.630 -39.022 6.184) 40.914 4.429 ( -4.415 -62.525 5.379) 62.912 5.529 ( -0.393 -26.188 13.752) 29.582 5.946 ( -5.127 -7.946 -1.874) 9.640 6.371 ( -7.658 -25.509 -13.101) 29.681 7.224 ( 2.323 6.740 -0.377) 7.139 9.471 ( -13.872 20.441 0.855) 24.718 15.612 ( -1.592 -18.006 1.419) 18.132 18.135 ( 2.006 6.293 0.754) 6.648 18.871 ( 0.590 26.424 -1.196) 26.457 20.669 ( 16.149 -4.075 1.667) 16.738 ======================= Grid point 766 (316/1062) ======================= q-point: (-0.15 -0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -20.308 0.000 13.538) 24.407 1.050 ( -23.263 0.000 -5.207) 23.838 1.738 ( -35.442 0.000 6.457) 36.025 4.551 ( 1.645 -0.000 -3.885) 4.219 5.383 ( -13.959 0.000 16.362) 21.507 6.383 ( -11.419 0.000 -19.954) 22.990 7.436 ( 5.671 -0.000 -5.609) 7.977 11.523 ( -0.826 0.000 21.465) 21.481 14.976 ( -1.365 0.000 0.920) 1.646 18.258 ( -0.926 0.000 -1.083) 1.425 18.325 ( 2.412 -0.000 1.371) 2.775 19.703 ( 0.164 -0.000 1.246) 1.256 ======================= Grid point 767 (317/1062) ======================= q-point: (-0.10 -0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -19.380 -14.076 -8.008) 25.256 1.376 ( -24.375 -22.270 4.790) 33.363 1.884 ( -20.574 -57.647 15.973) 63.258 4.718 ( 3.082 -15.989 -1.538) 16.356 5.451 ( -11.456 -12.545 10.249) 19.841 6.153 ( -11.048 5.191 -15.208) 19.501 7.428 ( 4.723 3.349 -1.793) 6.061 10.623 ( -25.389 58.236 5.926) 63.805 15.059 ( -1.426 -9.329 1.591) 9.570 18.297 ( 3.039 2.294 1.208) 3.995 19.461 ( 21.928 -38.377 -20.833) 48.864 19.721 ( 13.120 -26.058 27.908) 40.374 ======================= Grid point 768 (318/1062) ======================= q-point: (-0.05 -0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -18.952 -16.571 -10.270) 27.189 1.601 ( -18.988 -27.694 11.790) 35.588 3.146 ( -7.453 -74.113 9.063) 75.036 5.090 ( 1.453 -22.601 0.282) 22.650 5.763 ( -6.253 -25.228 2.262) 26.090 5.937 ( -8.634 3.929 -6.603) 11.558 7.368 ( 3.686 6.299 -0.114) 7.300 9.744 ( -19.045 24.073 0.610) 30.702 15.292 ( -1.511 -15.831 2.085) 16.039 18.256 ( 2.285 4.803 0.210) 5.323 19.298 ( 1.096 19.452 -2.559) 19.651 20.657 ( 24.811 -16.412 1.648) 29.793 ======================= Grid point 787 (319/1062) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -22.593 0.000 2.840) 22.771 0.705 ( -21.753 0.000 20.719) 30.042 1.283 ( -39.146 0.000 21.952) 44.881 4.542 ( 1.837 -0.000 -3.880) 4.293 5.240 ( -13.168 0.000 -1.920) 13.308 6.109 ( -6.879 0.000 -7.942) 10.507 7.505 ( 4.522 -0.000 7.042) 8.369 11.660 ( 1.667 -0.000 -1.123) 2.011 14.964 ( -1.044 0.000 0.352) 1.102 18.240 ( -0.656 0.000 -0.132) 0.670 18.361 ( 1.964 -0.000 -0.929) 2.173 19.788 ( 0.855 -0.000 20.319) 20.337 ======================= Grid point 788 (320/1062) ======================= q-point: (-0.05 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -17.999 -12.476 1.810) 21.975 1.069 ( -25.601 -20.095 16.643) 36.555 1.780 ( -15.328 -69.591 20.448) 74.135 4.764 ( 5.360 -15.755 -4.300) 17.188 5.271 ( -8.613 -16.586 -12.853) 22.682 5.971 ( -7.412 3.994 6.960) 10.924 7.525 ( 4.256 6.831 9.701) 12.605 10.152 ( -36.116 51.110 -1.574) 62.603 15.057 ( -1.279 -9.382 2.445) 9.779 18.342 ( 2.056 2.675 -0.317) 3.389 19.471 ( 9.362 -8.907 -19.941) 23.762 20.408 ( 39.737 -43.013 10.431) 59.481 ======================= Grid point 808 (321/1062) ======================= q-point: (-0.05 -0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -19.079 0.000 13.780) 23.535 0.606 ( -20.151 0.000 28.780) 35.133 1.004 ( -34.074 0.000 46.465) 57.620 4.536 ( 2.074 -0.000 -3.901) 4.418 4.972 ( -7.341 0.000 -18.986) 20.356 5.994 ( -7.229 0.000 9.936) 12.288 7.896 ( 27.343 -0.000 39.356) 47.922 11.110 ( -45.661 0.000 -78.719) 91.003 14.951 ( -0.649 0.000 -0.208) 0.681 18.236 ( -0.302 0.000 0.815) 0.869 18.378 ( 1.456 -0.000 -0.854) 1.688 20.237 ( 20.121 -0.000 32.081) 37.869 ======================= Grid point 809 (322/1062) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -2.046 0.000 20.649) 20.751 1.221 ( -13.079 0.000 29.401) 32.178 2.211 ( -13.987 0.000 53.232) 55.039 4.142 ( 0.586 -0.000 -30.006) 30.012 4.424 ( 4.287 -0.000 -7.309) 8.474 6.611 ( 3.740 -0.000 22.201) 22.514 8.597 ( 4.994 -0.000 -13.431) 14.330 9.510 ( -8.683 0.000 -4.130) 9.615 14.922 ( -0.345 0.000 -1.089) 1.142 18.289 ( 0.157 -0.000 2.639) 2.644 18.322 ( -1.106 0.000 -3.100) 3.292 20.457 ( -6.368 0.000 3.579) 7.305 ======================= Grid point 810 (323/1062) ======================= q-point: ( 0.05 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 8.135 -13.597 19.956) 25.481 1.711 ( -6.014 -31.634 27.546) 42.375 2.594 ( -10.487 -31.288 40.642) 52.351 4.044 ( 2.848 -4.524 -28.388) 28.886 4.677 ( 4.036 -23.552 -11.016) 26.313 6.753 ( 4.992 -0.743 21.321) 21.910 8.090 ( -4.531 32.612 -1.026) 32.942 9.452 ( 6.935 5.851 -4.376) 10.073 15.081 ( -1.128 -14.216 -0.277) 14.264 18.238 ( -0.767 3.722 -4.924) 6.220 18.842 ( 0.545 -38.102 -13.119) 40.301 20.382 ( -7.491 3.165 0.190) 8.135 ======================= Grid point 811 (324/1062) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 13.782 -19.536 19.437) 30.812 2.259 ( -1.789 -19.147 31.226) 36.672 3.565 ( -6.523 -60.818 19.703) 64.262 4.082 ( 3.369 -11.445 -29.159) 31.505 5.150 ( 2.962 -30.004 -10.948) 32.076 6.924 ( 5.419 -3.199 19.817) 20.792 7.588 ( -2.255 19.563 0.575) 19.701 9.334 ( 8.346 11.277 -4.599) 14.764 15.365 ( -1.655 -17.273 2.124) 17.481 18.111 ( -0.880 6.514 -5.828) 8.784 19.214 ( 0.650 -5.658 -5.067) 7.622 20.261 ( -6.933 -0.184 -11.674) 13.579 ======================= Grid point 812 (325/1062) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 15.804 -20.071 20.174) 32.551 2.772 ( 0.343 -24.570 24.283) 34.547 4.162 ( 0.446 -12.958 -26.753) 29.729 4.777 ( -1.967 -62.057 8.810) 62.710 5.689 ( 2.419 -31.748 -10.964) 33.675 7.138 ( 4.949 -6.398 13.443) 15.689 7.326 ( -0.471 8.334 3.940) 9.230 9.135 ( 9.094 15.461 -4.478) 18.488 15.688 ( -1.539 -17.570 3.038) 17.897 17.944 ( -0.566 7.593 -6.237) 9.842 19.066 ( -0.372 19.668 6.204) 20.626 20.177 ( -5.238 -2.891 -19.568) 20.462 ======================= Grid point 813 (326/1062) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 15.360 -18.499 20.826) 31.810 3.393 ( 1.370 -32.054 14.819) 35.341 4.265 ( -0.790 -12.845 -26.398) 29.368 5.825 ( -0.687 -45.740 8.365) 46.504 6.208 ( 3.754 -27.986 -15.431) 32.178 7.258 ( -1.956 -10.267 2.224) 10.685 7.456 ( 6.044 -9.556 14.687) 18.535 8.877 ( 9.710 18.160 -4.490) 21.077 15.984 ( -1.193 -13.584 3.488) 14.076 17.785 ( 0.001 5.998 -5.788) 8.335 18.640 ( -1.111 27.780 7.195) 28.718 20.066 ( -4.065 1.798 -18.694) 19.215 ======================= Grid point 814 (327/1062) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 11.664 -17.781 18.601) 28.253 4.004 ( 2.036 -22.762 1.161) 22.882 4.458 ( -0.587 -26.167 -15.890) 30.620 6.329 ( 1.365 -8.684 -5.050) 10.138 6.663 ( 4.408 -24.080 -1.907) 24.555 7.721 ( -1.204 -35.155 5.674) 35.630 7.760 ( 5.283 -14.239 6.159) 16.388 8.606 ( 9.008 15.639 -4.327) 18.559 16.153 ( -1.191 -1.977 5.740) 6.187 17.693 ( 0.620 1.074 -5.071) 5.220 18.170 ( -1.008 23.628 3.852) 23.961 19.866 ( -3.556 8.001 -15.961) 18.205 ======================= Grid point 815 (328/1062) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 2.863 -19.552 9.136) 21.770 4.221 ( 5.286 -5.474 -4.347) 8.764 5.105 ( 1.559 -42.909 -3.956) 43.119 6.354 ( 2.695 1.057 -7.596) 8.128 7.026 ( 6.457 -8.389 4.017) 11.323 7.985 ( 4.404 -3.880 5.168) 7.820 8.277 ( 4.112 -9.230 -4.271) 10.970 8.678 ( 1.544 -32.697 -0.353) 32.735 16.037 ( -2.020 17.815 9.429) 20.257 17.686 ( 1.065 0.572 -3.849) 4.034 17.900 ( 0.087 2.902 -0.571) 2.959 19.576 ( -3.288 12.911 -13.502) 18.968 ======================= Grid point 816 (329/1062) ======================= q-point: ( 0.35 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( -11.064 -18.794 -12.006) 24.895 4.401 ( 14.546 -5.430 14.666) 21.357 5.889 ( 2.466 -41.000 -2.188) 41.132 6.313 ( 3.051 1.302 -6.627) 7.411 7.051 ( 12.014 14.649 2.339) 19.089 8.074 ( -0.890 -6.221 2.651) 6.821 8.446 ( 2.762 -9.728 -2.396) 10.392 9.394 ( 0.897 -38.704 -1.700) 38.751 15.597 ( -2.727 31.251 9.542) 32.789 17.665 ( 1.308 -0.392 0.668) 1.520 18.019 ( 1.030 -12.145 -3.792) 12.765 19.235 ( -2.977 14.717 -11.471) 18.895 ======================= Grid point 817 (330/1062) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.078 ( -11.804 -11.911 -16.160) 23.288 4.749 ( 10.270 -11.542 16.141) 22.343 6.240 ( 2.463 2.367 -1.822) 3.871 6.601 ( 8.832 -18.976 0.403) 20.935 6.837 ( 8.342 6.273 -1.115) 10.497 8.226 ( -3.815 -9.403 3.335) 10.682 8.613 ( 1.123 -8.017 -3.845) 8.962 10.024 ( 1.183 -29.880 -2.206) 29.985 15.018 ( -2.671 32.475 6.998) 33.328 17.724 ( 1.499 -2.610 3.048) 4.284 18.239 ( 0.802 -11.592 -2.285) 11.843 18.924 ( -2.180 10.179 -9.732) 14.251 ======================= Grid point 818 (331/1062) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( -9.600 -7.021 -13.226) 17.787 5.042 ( 3.250 -6.556 6.678) 9.906 6.199 ( 3.297 2.714 -0.512) 4.301 6.540 ( 13.071 13.043 9.754) 20.883 7.256 ( 1.408 -25.051 -0.865) 25.105 8.345 ( -4.576 -4.877 2.026) 6.988 8.711 ( -0.158 -4.545 -5.386) 7.049 10.462 ( 1.002 -17.764 -1.978) 17.902 14.495 ( -2.126 24.138 4.206) 24.593 17.749 ( 0.681 3.349 1.266) 3.645 18.414 ( 0.070 -7.639 2.704) 8.104 18.796 ( -0.125 -2.218 -8.199) 8.495 ======================= Grid point 819 (332/1062) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.037 ( -8.621 0.505 -13.026) 15.629 5.074 ( 1.641 4.971 2.230) 5.690 6.207 ( 0.819 -1.256 -1.015) 1.811 6.608 ( 8.273 -4.889 15.534) 18.266 7.596 ( 0.759 -10.245 2.947) 10.687 8.319 ( -4.546 4.956 -0.801) 6.773 8.724 ( -1.071 -0.410 -6.051) 6.158 10.652 ( 0.533 -2.895 -1.510) 3.309 14.196 ( -1.376 7.623 2.133) 8.034 17.638 ( -0.662 7.183 -0.844) 7.263 18.552 ( -0.249 -4.454 4.286) 6.187 18.896 ( 2.145 -10.688 -4.928) 11.964 ======================= Grid point 820 (333/1062) ======================= q-point: (-0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( -8.481 11.541 -14.102) 20.100 5.025 ( 1.994 2.360 6.268) 6.988 6.220 ( -0.773 -0.868 -2.282) 2.561 6.921 ( 1.155 -14.741 15.484) 21.410 7.660 ( -0.048 6.101 4.443) 7.547 8.084 ( -4.252 14.212 -4.120) 15.395 8.650 ( -1.849 4.345 -5.702) 7.404 10.552 ( 0.013 13.490 -1.145) 13.539 14.237 ( -0.671 -11.970 1.341) 12.064 17.523 ( -1.144 3.387 -0.881) 3.682 18.569 ( -0.999 3.600 1.524) 4.035 19.158 ( 4.265 -16.045 -1.547) 16.674 ======================= Grid point 821 (334/1062) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( -9.192 17.643 -12.642) 23.571 5.079 ( 1.499 -1.773 9.282) 9.568 6.190 ( -2.102 2.700 -2.871) 4.467 7.177 ( -3.125 0.853 9.671) 10.199 7.393 ( -1.374 18.847 5.086) 19.570 7.851 ( -3.896 1.342 -4.484) 6.090 8.483 ( -2.957 9.007 -5.019) 10.726 10.155 ( -0.381 29.021 -0.959) 29.040 14.604 ( -0.206 -26.579 1.793) 26.640 17.500 ( -0.996 -2.083 -0.572) 2.379 18.435 ( -1.431 10.022 0.359) 10.130 19.499 ( 5.778 -17.361 -2.031) 18.409 ======================= Grid point 822 (335/1062) ======================= q-point: (-0.35 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -10.657 18.637 -9.660) 23.542 5.143 ( 0.354 3.328 10.051) 10.593 5.986 ( -4.329 16.777 -3.016) 17.587 6.850 ( 2.214 18.126 -3.258) 18.549 7.187 ( -6.364 13.945 7.431) 17.034 7.931 ( -3.114 -6.354 1.609) 7.256 8.266 ( -6.939 3.663 -5.295) 9.466 9.497 ( -0.556 41.640 -0.671) 41.649 15.164 ( -0.071 -32.099 2.708) 32.213 17.568 ( -0.490 -6.008 -0.622) 6.060 18.210 ( -1.493 12.546 -0.179) 12.636 19.846 ( 6.914 -16.465 -4.062) 18.314 ======================= Grid point 823 (336/1062) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -12.147 17.833 -6.038) 22.405 4.848 ( -2.584 35.583 5.647) 36.121 5.693 ( -3.898 4.279 0.323) 5.797 6.611 ( 0.726 13.937 -4.902) 14.792 6.890 ( -3.373 12.183 2.991) 12.991 7.740 ( -2.595 20.557 2.052) 20.821 8.396 ( -11.002 -21.046 -2.663) 23.897 8.648 ( -0.421 49.759 0.285) 49.761 15.726 ( -0.395 -25.706 3.238) 25.913 17.693 ( 0.201 -7.854 -0.819) 7.899 18.004 ( -1.093 6.629 -0.451) 6.733 20.160 ( 7.823 -14.119 -6.404) 17.366 ======================= Grid point 824 (337/1062) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -12.870 17.009 -1.752) 21.401 4.038 ( -4.535 47.736 4.263) 48.140 5.676 ( -4.777 -2.468 -2.033) 5.748 6.177 ( -5.179 28.109 0.272) 28.583 6.759 ( 5.073 8.886 -4.410) 11.142 7.315 ( -6.045 21.342 5.169) 22.776 7.716 ( 0.269 49.516 1.092) 49.528 8.706 ( -10.921 -21.878 -1.525) 24.500 16.031 ( -1.205 -5.065 3.006) 6.012 17.831 ( 0.888 -7.304 -2.452) 7.756 18.042 ( -0.246 -12.687 1.508) 12.778 20.415 ( 8.672 -10.626 -8.852) 16.324 ======================= Grid point 825 (338/1062) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -12.096 16.635 3.629) 20.885 3.172 ( -6.681 44.196 8.283) 45.459 5.540 ( -5.354 40.387 7.667) 41.456 5.580 ( -8.065 5.825 -17.635) 20.248 6.353 ( 3.749 35.457 1.106) 35.672 6.913 ( -0.843 29.481 4.286) 29.803 7.167 ( -0.935 2.285 3.811) 4.541 8.999 ( -10.514 -20.027 -1.845) 22.695 15.946 ( -1.749 12.274 3.085) 12.776 17.965 ( 1.305 -8.169 -4.394) 9.367 18.425 ( 0.384 -25.151 3.791) 25.438 20.593 ( 9.593 -6.166 -11.799) 16.409 ======================= Grid point 826 (339/1062) ======================= q-point: (-0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -9.720 15.606 10.679) 21.262 2.437 ( -10.109 34.812 16.351) 39.767 4.617 ( -6.505 60.744 12.786) 62.415 5.153 ( -8.033 18.476 -26.227) 33.072 5.799 ( 2.899 27.984 -5.712) 28.707 6.535 ( -1.495 15.651 18.807) 24.513 7.265 ( 1.879 -8.605 0.862) 8.850 9.249 ( -10.389 -17.336 -2.446) 20.358 15.665 ( -1.873 17.178 3.826) 17.698 18.100 ( 1.389 -7.660 -4.860) 9.178 18.911 ( 0.843 -23.621 3.151) 23.845 20.670 ( 10.314 -0.616 -15.925) 18.983 ======================= Grid point 827 (340/1062) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -7.729 13.076 17.164) 22.920 1.916 ( -12.848 23.626 27.365) 38.368 3.442 ( -9.191 66.356 19.215) 69.691 4.661 ( -5.950 14.776 -25.971) 30.467 5.260 ( 3.213 28.538 -12.495) 31.319 6.447 ( -1.507 5.398 23.220) 23.887 7.517 ( 3.362 -16.871 4.300) 17.732 9.440 ( -11.603 -14.322 -3.442) 18.751 15.363 ( -1.775 15.856 3.734) 16.386 18.214 ( 1.075 -6.065 -4.793) 7.805 19.238 ( 2.662 -7.120 -3.831) 8.513 20.616 ( 8.417 5.489 -18.979) 21.475 ======================= Grid point 828 (341/1062) ======================= q-point: (-0.05 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -8.000 10.703 19.077) 23.292 1.566 ( -10.929 24.951 30.263) 40.717 2.418 ( -14.822 41.324 38.577) 58.443 4.309 ( -3.170 5.661 -26.754) 27.530 4.726 ( 3.911 25.014 -13.290) 28.594 6.495 ( 0.761 1.429 23.385) 23.441 8.051 ( 7.219 -35.246 6.154) 36.500 9.548 ( -15.506 -10.649 -5.181) 19.511 15.098 ( -1.217 13.263 0.583) 13.332 18.286 ( 0.465 -3.360 -4.582) 5.701 18.955 ( 4.504 39.231 -18.345) 43.542 20.490 ( -0.705 2.157 -6.489) 6.875 ======================= Grid point 830 (342/1062) ======================= q-point: ( 0.05 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 15.196 -0.000 20.662) 25.648 1.314 ( -9.734 0.000 27.935) 29.582 2.530 ( -7.372 0.000 49.593) 50.138 3.924 ( 7.043 -0.000 -29.973) 30.789 4.424 ( 4.610 -0.000 -7.403) 8.721 6.892 ( 7.230 -0.000 19.033) 20.360 8.350 ( -14.702 0.000 -9.390) 17.444 9.600 ( 18.919 -0.000 -10.037) 21.417 14.910 ( 0.106 -0.000 -1.135) 1.140 18.261 ( -2.652 0.000 -3.109) 4.087 18.320 ( 0.539 -0.000 2.752) 2.804 20.389 ( -8.084 0.000 7.218) 10.838 ======================= Grid point 831 (343/1062) ======================= q-point: ( 0.10 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 16.144 -12.471 20.625) 29.009 1.886 ( -2.135 -39.552 23.454) 46.033 2.852 ( -4.805 -19.959 39.979) 44.942 3.862 ( 8.005 -2.959 -28.894) 30.128 4.643 ( 4.077 -21.352 -9.733) 23.818 7.039 ( 7.936 -0.257 17.634) 19.339 7.951 ( -9.168 21.965 -3.280) 24.027 9.591 ( 16.336 9.754 -8.367) 20.785 15.061 ( -0.774 -14.377 -0.619) 14.411 18.173 ( -1.780 4.043 -4.591) 6.371 18.740 ( -1.060 -33.140 -7.384) 33.969 20.287 ( -7.770 7.602 5.105) 12.009 ======================= Grid point 832 (344/1062) ======================= q-point: ( 0.15 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 13.568 -19.071 19.849) 30.688 2.570 ( 5.326 -19.614 29.412) 35.751 3.656 ( -5.249 -52.075 18.278) 55.439 3.899 ( 8.540 -11.340 -28.837) 32.141 5.095 ( 2.873 -29.243 -10.229) 31.113 7.191 ( 7.129 -1.144 14.846) 16.509 7.539 ( -3.496 15.141 -0.298) 15.542 9.460 ( 13.496 13.357 -5.631) 19.806 15.357 ( -1.420 -18.103 1.374) 18.210 18.039 ( -1.453 6.433 -5.417) 8.534 19.162 ( -0.907 -13.786 -5.435) 14.847 20.070 ( -7.686 8.009 -4.177) 11.860 ======================= Grid point 833 (345/1062) ======================= q-point: ( 0.20 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 10.106 -21.752 17.619) 29.761 3.073 ( 7.732 -17.640 26.485) 32.748 3.946 ( 4.940 -10.018 -26.970) 29.191 4.835 ( -0.609 -61.667 7.728) 62.152 5.624 ( 2.450 -30.931 -10.715) 32.825 7.221 ( -1.341 4.273 -0.095) 4.480 7.464 ( 6.572 -2.899 13.001) 14.853 9.263 ( 12.548 16.735 -4.397) 21.374 15.691 ( -1.318 -18.156 2.451) 18.368 17.877 ( -0.804 7.072 -5.667) 9.098 19.115 ( -1.070 17.526 6.769) 18.818 19.912 ( -6.739 -2.341 -16.503) 17.979 ======================= Grid point 834 (346/1062) ======================= q-point: ( 0.25 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( 5.838 -19.347 12.613) 23.822 3.619 ( 6.304 -25.262 18.414) 31.890 4.064 ( 7.147 -11.081 -21.670) 25.367 5.890 ( -0.519 -45.435 7.523) 46.057 6.130 ( 4.888 -28.616 -15.192) 32.765 7.236 ( -2.937 -11.674 1.047) 12.083 7.690 ( 7.399 -7.877 11.833) 16.025 9.005 ( 11.910 19.609 -4.149) 23.315 15.999 ( -0.907 -14.372 3.075) 14.725 17.732 ( -0.020 5.165 -5.270) 7.379 18.684 ( -1.860 28.973 7.046) 29.876 19.828 ( -5.151 -0.311 -16.242) 17.042 ======================= Grid point 835 (347/1062) ======================= q-point: ( 0.30 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( -3.022 -15.116 -0.045) 15.415 4.195 ( 16.776 -11.440 11.160) 23.170 4.360 ( 1.384 -33.875 -7.102) 34.639 6.304 ( 2.875 -7.132 -6.770) 10.245 6.718 ( 3.628 -28.783 -0.472) 29.014 7.701 ( -2.245 -38.465 -0.324) 38.532 7.954 ( 6.810 -9.064 9.844) 15.014 8.711 ( 9.965 18.528 -4.557) 21.526 16.188 ( -0.955 -3.359 5.171) 6.240 17.656 ( 0.693 0.550 -4.921) 5.000 18.184 ( -1.527 24.665 3.232) 24.923 19.667 ( -4.262 6.507 -12.931) 15.090 ======================= Grid point 836 (348/1062) ======================= q-point: ( 0.35 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( -9.834 -14.593 -11.988) 21.293 4.512 ( 19.531 -4.722 14.606) 24.841 5.103 ( 1.470 -43.687 -1.578) 43.741 6.340 ( 3.909 0.742 -6.408) 7.543 7.151 ( 4.860 -14.163 3.010) 15.273 8.130 ( 7.592 1.689 5.209) 9.360 8.277 ( 2.034 -10.421 -5.270) 11.853 8.697 ( 1.545 -28.932 -0.840) 28.985 16.087 ( -2.100 17.465 7.940) 19.300 17.664 ( 1.134 -1.538 -4.444) 4.837 17.898 ( 0.085 3.948 -0.158) 3.952 19.410 ( -3.662 12.048 -10.118) 16.153 ======================= Grid point 837 (349/1062) ======================= q-point: ( 0.40 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.642 ( -11.990 -15.043 -16.012) 25.028 4.811 ( 16.870 -3.926 17.296) 24.478 5.908 ( 2.152 -42.685 -1.236) 42.757 6.314 ( 3.897 1.909 -4.985) 6.609 7.276 ( 12.453 11.005 3.702) 17.026 8.084 ( -0.397 -0.440 1.879) 1.971 8.441 ( 0.864 -9.619 -4.478) 10.646 9.395 ( 0.878 -38.478 -1.097) 38.503 15.631 ( -2.943 31.831 7.078) 32.741 17.690 ( 1.384 -2.762 0.052) 3.090 18.004 ( 1.226 -11.862 -2.917) 12.277 19.095 ( -3.078 14.128 -7.968) 16.509 ======================= Grid point 838 (350/1062) ======================= q-point: ( 0.45 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( -11.642 -14.034 -15.308) 23.808 5.059 ( 11.644 -2.469 13.352) 17.887 6.266 ( 2.813 2.586 -1.600) 4.143 6.675 ( 3.317 -36.971 -1.496) 37.150 7.062 ( 15.078 22.368 6.108) 27.658 8.181 ( -5.244 -8.803 2.181) 10.476 8.574 ( -0.210 -7.164 -5.924) 9.298 10.025 ( 1.174 -29.704 -1.580) 29.769 15.030 ( -2.810 32.826 4.675) 33.276 17.770 ( 1.420 -2.757 1.749) 3.560 18.237 ( 0.999 -12.538 -1.148) 12.630 18.814 ( -2.047 9.137 -6.489) 11.392 ======================= Grid point 839 (351/1062) ======================= q-point: ( 0.50 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( -10.034 -9.822 -13.135) 19.227 5.173 ( 5.806 2.911 5.692) 8.636 6.231 ( 2.211 2.273 -1.142) 3.371 6.863 ( 13.845 14.169 12.617) 23.487 7.285 ( 2.186 -25.974 1.008) 26.085 8.274 ( -6.225 -4.378 0.777) 7.650 8.643 ( -0.853 -4.204 -7.040) 8.244 10.461 ( 1.004 -17.484 -1.543) 17.580 14.494 ( -2.192 24.144 2.812) 24.406 17.764 ( 0.318 5.452 0.358) 5.473 18.445 ( 0.335 -9.145 2.781) 9.565 18.729 ( 0.176 -4.284 -5.706) 7.137 ======================= Grid point 840 (352/1062) ======================= q-point: (-0.45 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.788 ( -7.887 -0.067 -11.498) 13.944 5.123 ( 1.989 5.844 2.197) 6.552 6.211 ( 0.980 0.854 -1.268) 1.816 6.897 ( 9.088 -0.056 16.185) 18.562 7.637 ( 0.944 -9.885 2.493) 10.238 8.219 ( -6.410 5.320 -2.162) 8.606 8.648 ( -0.885 -0.462 -6.386) 6.463 10.646 ( 0.566 -2.546 -1.451) 2.985 14.194 ( -1.408 7.329 2.095) 7.752 17.622 ( -0.721 8.092 -0.192) 8.127 18.576 ( -0.382 -3.095 1.507) 3.463 18.895 ( 2.465 -13.916 -2.788) 14.405 ======================= Grid point 841 (353/1062) ======================= q-point: (-0.40 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.566 ( -6.247 12.602 -9.734) 17.105 5.084 ( -0.186 -0.056 3.812) 3.817 6.195 ( -0.027 0.750 -1.722) 1.879 7.108 ( 3.582 -7.833 15.346) 17.598 7.683 ( -0.671 6.021 1.073) 6.152 7.953 ( -6.551 15.008 -5.348) 17.227 8.580 ( -0.790 4.718 -4.165) 6.342 10.540 ( 0.093 13.784 -1.549) 13.871 14.245 ( -0.698 -12.416 2.664) 12.718 17.503 ( -0.893 3.584 0.117) 3.695 18.560 ( -1.030 4.330 0.011) 4.451 19.204 ( 4.073 -17.595 -2.630) 18.251 ======================= Grid point 842 (354/1062) ======================= q-point: (-0.35 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( -6.042 19.637 -6.490) 21.546 5.145 ( -1.468 -4.041 5.306) 6.829 6.142 ( -0.957 5.023 -2.148) 5.546 7.226 ( 0.103 14.195 3.089) 14.528 7.427 ( -1.110 13.434 8.227) 15.792 7.705 ( -7.697 -2.584 -7.538) 11.079 8.417 ( -1.097 10.944 -1.971) 11.174 10.137 ( -0.237 29.069 -1.658) 29.118 14.628 ( -0.265 -26.851 3.944) 27.140 17.485 ( -0.627 -2.040 0.151) 2.139 18.413 ( -1.364 10.294 -0.414) 10.392 19.553 ( 5.176 -18.197 -4.935) 19.552 ======================= Grid point 843 (355/1062) ======================= q-point: (-0.30 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -6.502 21.181 -2.289) 22.275 5.198 ( -2.613 2.385 5.494) 6.534 5.898 ( -2.675 19.434 -3.635) 19.951 6.832 ( 1.277 16.073 -6.450) 17.366 7.178 ( -3.917 18.313 6.304) 19.760 7.869 ( -5.988 -16.641 -0.100) 17.686 8.151 ( -2.998 14.579 -1.058) 14.922 9.480 ( -0.339 41.270 -1.337) 41.293 15.199 ( -0.216 -31.864 4.993) 32.254 17.559 ( -0.166 -6.092 -0.253) 6.100 18.183 ( -1.312 12.500 -0.816) 12.595 19.891 ( 5.877 -17.204 -7.620) 19.713 ======================= Grid point 844 (356/1062) ======================= q-point: (-0.25 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -6.475 20.432 2.568) 21.587 4.845 ( -3.259 37.981 3.392) 38.271 5.595 ( -4.638 3.374 -6.148) 8.408 6.594 ( 1.042 15.751 -2.427) 15.971 6.864 ( -2.161 10.197 0.276) 10.427 7.743 ( -1.306 23.075 4.622) 23.570 8.209 ( -8.889 -20.572 -2.953) 22.604 8.645 ( -0.172 48.122 0.095) 48.122 15.757 ( -0.633 -24.660 5.040) 25.178 17.691 ( 0.384 -8.106 -0.591) 8.137 17.982 ( -0.855 5.869 -0.978) 6.011 20.192 ( 6.218 -14.956 -10.122) 19.099 ======================= Grid point 845 (357/1062) ======================= q-point: (-0.20 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -5.136 19.181 8.105) 21.447 4.013 ( -3.638 47.772 4.103) 48.086 5.488 ( -7.299 1.893 -14.507) 16.350 6.179 ( -1.203 28.023 7.658) 29.075 6.770 ( 3.941 5.169 -8.501) 10.701 7.305 ( -4.244 24.144 9.614) 26.332 7.730 ( 0.252 46.489 0.878) 46.498 8.544 ( -7.310 -20.788 -1.867) 22.115 16.044 ( -1.349 -3.898 3.957) 5.716 17.817 ( 0.719 -6.152 -3.121) 6.936 18.058 ( -0.042 -15.228 2.274) 15.396 20.431 ( 6.228 -11.557 -12.661) 18.239 ======================= Grid point 846 (358/1062) ======================= q-point: (-0.15 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -2.191 17.984 14.056) 22.930 3.166 ( -4.804 43.697 9.504) 44.976 5.205 ( -8.993 12.722 -22.970) 27.755 5.619 ( -1.331 40.166 9.519) 41.300 6.393 ( 3.905 33.850 -5.714) 34.550 6.962 ( -1.788 21.331 11.084) 24.105 7.199 ( 0.404 5.350 3.323) 6.311 8.848 ( -5.798 -18.891 -2.577) 19.928 15.950 ( -1.697 12.382 3.532) 12.987 17.935 ( 0.817 -8.159 -5.387) 9.811 18.473 ( 0.333 -25.592 5.096) 26.097 20.582 ( 5.738 -6.950 -15.929) 18.302 ======================= Grid point 847 (359/1062) ======================= q-point: (-0.10 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 1.596 16.841 18.923) 25.382 2.474 ( -6.646 33.713 19.113) 39.320 4.620 ( -7.542 51.321 7.361) 52.392 4.816 ( -3.052 27.248 -22.630) 35.551 5.787 ( 3.492 31.469 -8.304) 32.732 6.706 ( 0.070 12.555 20.043) 23.650 7.299 ( 1.238 -10.231 0.868) 10.343 9.110 ( -3.894 -15.217 -3.074) 16.005 15.673 ( -1.785 17.042 3.893) 17.572 18.064 ( 0.585 -8.005 -5.947) 9.990 18.958 ( 0.652 -22.560 4.433) 23.000 20.609 ( 3.851 -0.703 -20.168) 20.544 ======================= Grid point 848 (360/1062) ======================= q-point: (-0.05 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 4.428 17.177 19.754) 26.550 2.037 ( -7.048 21.453 30.624) 38.049 3.492 ( -7.901 64.547 19.775) 67.969 4.339 ( -1.671 13.292 -28.533) 31.521 5.205 ( 3.491 29.933 -11.425) 32.229 6.666 ( 1.990 4.599 22.438) 22.990 7.586 ( 0.812 -20.418 2.649) 20.605 9.309 ( -1.004 -10.362 -3.457) 10.969 15.367 ( -1.749 16.412 3.034) 16.781 18.172 ( -0.002 -6.406 -5.668) 8.553 19.237 ( 1.930 -1.912 -4.209) 5.010 20.480 ( -1.778 4.171 -18.527) 19.074 ======================= Grid point 851 (361/1062) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -6.994 0.000 25.460) 26.403 1.550 ( 18.798 -0.000 21.944) 28.895 2.914 ( 0.560 -0.000 44.066) 44.070 3.785 ( 10.975 -0.000 -30.149) 32.084 4.428 ( 4.932 -0.000 -7.479) 8.959 7.182 ( 9.312 -0.000 14.703) 17.404 8.054 ( -13.545 0.000 -6.681) 15.103 9.795 ( 19.971 -0.000 -13.714) 24.226 14.904 ( 0.508 -0.000 -1.004) 1.125 18.186 ( -3.361 0.000 -2.713) 4.319 18.356 ( 0.879 -0.000 2.569) 2.715 20.344 ( -7.286 0.000 8.411) 11.128 ======================= Grid point 852 (362/1062) ======================= q-point: ( 0.15 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 9.355 -14.241 22.290) 28.056 2.096 ( 3.327 -41.950 20.279) 46.713 3.202 ( 2.931 -9.903 37.472) 38.869 3.744 ( 12.692 -1.828 -30.233) 32.840 4.621 ( 4.338 -19.226 -8.876) 21.616 7.316 ( 8.963 0.326 12.283) 15.208 7.770 ( -9.007 14.264 -4.304) 17.410 9.773 ( 17.574 10.575 -9.418) 22.569 15.047 ( -0.300 -13.940 -0.564) 13.954 18.100 ( -2.420 4.183 -3.828) 6.165 18.673 ( -1.137 -26.914 -3.410) 27.153 20.230 ( -6.856 10.316 6.588) 14.030 ======================= Grid point 853 (363/1062) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 6.136 -16.490 20.683) 27.154 2.952 ( 8.735 -26.422 24.880) 37.329 3.665 ( -1.657 -19.866 -6.940) 21.108 3.908 ( 15.201 -29.812 -3.612) 33.658 5.050 ( 3.133 -28.076 -9.246) 29.725 7.340 ( -1.137 8.582 0.847) 8.698 7.551 ( 4.571 2.012 6.730) 8.380 9.636 ( 15.331 14.450 -4.992) 21.651 15.348 ( -1.062 -18.638 0.967) 18.693 17.967 ( -1.719 6.231 -4.586) 7.925 19.090 ( -2.103 -18.979 -4.675) 19.659 19.943 ( -6.764 15.965 0.548) 17.348 ======================= Grid point 854 (364/1062) ======================= q-point: ( 0.25 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 1.705 -19.615 14.356) 24.367 3.396 ( 1.626 -11.941 13.331) 17.971 3.909 ( 19.969 -11.417 -10.950) 25.476 4.907 ( 2.267 -59.165 5.484) 59.462 5.569 ( 2.797 -30.098 -9.534) 31.696 7.168 ( -3.164 4.220 -2.519) 5.845 7.686 ( 7.417 -4.500 9.145) 12.605 9.437 ( 14.073 17.986 -2.989) 23.032 15.693 ( -1.019 -18.761 1.949) 18.890 17.815 ( -0.848 6.509 -4.736) 8.093 19.158 ( -1.802 14.461 7.018) 16.175 19.666 ( -6.822 0.729 -13.162) 14.843 ======================= Grid point 855 (365/1062) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( -3.833 -13.603 -0.124) 14.133 3.735 ( -1.959 -26.272 1.041) 26.366 4.281 ( 25.983 -8.530 8.670) 28.689 5.949 ( -0.425 -42.137 6.547) 42.644 6.080 ( 6.580 -32.131 -14.226) 35.750 7.186 ( -3.820 -12.676 -0.512) 13.249 7.889 ( 6.107 -7.568 7.325) 12.175 9.169 ( 13.025 21.522 -2.402) 25.271 16.013 ( -0.580 -15.180 2.485) 15.393 17.687 ( 0.042 4.472 -4.400) 6.274 18.712 ( -2.616 30.434 6.013) 31.133 19.611 ( -5.162 -2.215 -12.475) 13.682 ======================= Grid point 856 (366/1062) ======================= q-point: ( 0.35 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( -8.540 -10.116 -11.576) 17.586 4.342 ( 0.416 -38.634 0.138) 38.636 4.668 ( 24.388 -5.605 16.398) 29.918 6.297 ( 4.215 -7.358 -6.492) 10.680 6.762 ( 2.836 -30.140 -0.774) 30.283 7.652 ( -2.974 -38.978 -1.560) 39.122 8.124 ( 4.509 -10.580 6.286) 13.107 8.840 ( 11.228 22.945 -2.587) 25.675 16.219 ( -0.687 -4.329 3.960) 5.907 17.624 ( 0.763 0.324 -4.221) 4.302 18.183 ( -1.919 25.009 2.179) 25.177 19.498 ( -4.209 5.284 -8.824) 11.113 ======================= Grid point 857 (367/1062) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( -10.188 -11.871 -14.582) 21.386 4.976 ( 19.112 -6.614 13.936) 24.561 5.132 ( 3.655 -39.343 3.331) 39.653 6.352 ( 4.731 0.418 -5.517) 7.280 7.229 ( 2.457 -19.391 1.727) 19.622 8.199 ( -0.447 -17.633 -6.167) 18.685 8.353 ( 9.554 12.962 5.427) 16.992 8.708 ( 1.201 -26.653 -1.247) 26.709 16.118 ( -2.063 17.780 5.324) 18.674 17.642 ( 1.190 -2.886 -4.018) 5.088 17.899 ( 0.118 3.711 0.122) 3.715 19.277 ( -3.482 11.372 -6.081) 13.357 ======================= Grid point 858 (368/1062) ======================= q-point: ( 0.45 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( -10.371 -13.978 -14.042) 22.363 5.229 ( 16.781 0.504 15.074) 22.563 5.937 ( 2.242 -43.120 0.603) 43.183 6.336 ( 4.329 2.254 -4.228) 6.458 7.485 ( 9.224 0.682 3.732) 9.974 8.102 ( 0.731 9.633 1.607) 9.794 8.395 ( -0.265 -8.972 -5.590) 10.574 9.400 ( 0.736 -38.441 -0.437) 38.451 15.637 ( -2.921 32.342 3.894) 32.707 17.708 ( 1.410 -4.783 -0.927) 5.072 18.005 ( 1.307 -11.578 -1.138) 11.707 18.993 ( -2.777 13.712 -4.039) 14.562 ======================= Grid point 859 (369/1062) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( -9.625 -14.347 -12.008) 21.040 5.353 ( 11.680 4.875 9.940) 16.093 6.294 ( 2.935 2.964 -1.944) 4.602 6.715 ( 2.940 -37.854 0.489) 37.971 7.367 ( 14.672 20.447 8.020) 26.413 8.106 ( -6.723 -7.610 1.719) 10.299 8.500 ( -1.105 -6.689 -7.402) 10.037 10.031 ( 1.106 -29.523 -0.878) 29.557 15.018 ( -2.738 32.752 2.148) 32.936 17.798 ( 1.220 -2.648 -0.172) 2.921 18.249 ( 1.101 -13.133 0.284) 13.182 18.742 ( -1.647 8.393 -2.629) 8.948 ======================= Grid point 860 (370/1062) ======================= q-point: (-0.45 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( -7.989 -10.936 -9.452) 16.516 5.318 ( 6.543 9.947 3.908) 12.531 6.251 ( 2.036 2.780 -1.561) 3.783 7.181 ( 11.444 12.654 12.156) 20.949 7.341 ( 3.068 -24.244 2.224) 24.538 8.167 ( -7.875 -3.464 0.101) 8.604 8.561 ( -0.596 -4.691 -7.278) 8.679 10.465 ( 1.012 -17.079 -1.014) 17.139 14.480 ( -2.138 23.554 1.424) 23.694 17.767 ( 0.058 6.571 -0.182) 6.574 18.467 ( 0.379 -9.020 0.193) 9.030 18.702 ( 0.546 -6.058 -0.957) 6.158 ======================= Grid point 861 (371/1062) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( -5.451 -1.086 -6.728) 8.727 5.176 ( 2.294 8.874 1.658) 9.315 6.214 ( 1.084 1.794 -1.360) 2.499 7.168 ( 7.206 2.942 12.586) 14.798 7.667 ( 0.886 -7.689 1.037) 7.809 8.085 ( -7.721 5.771 -2.388) 9.930 8.590 ( 0.346 -1.297 -4.487) 4.684 10.643 ( 0.652 -1.966 -1.286) 2.438 14.191 ( -1.409 6.330 2.095) 6.815 17.613 ( -0.606 8.398 0.610) 8.441 18.569 ( -0.362 -2.545 -1.583) 3.019 18.918 ( 2.344 -14.854 -0.599) 15.050 ======================= Grid point 862 (372/1062) ======================= q-point: (-0.35 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( -2.926 12.723 -3.256) 13.455 5.101 ( -0.948 0.398 2.140) 2.374 6.185 ( 0.455 1.688 -1.294) 2.175 7.279 ( 1.716 -4.976 7.861) 9.461 7.656 ( -1.089 7.969 -2.419) 8.399 7.806 ( -6.211 16.488 -2.538) 17.801 8.556 ( 0.692 4.652 -0.843) 4.779 10.526 ( 0.251 14.305 -1.843) 14.425 14.265 ( -0.766 -13.431 3.969) 14.026 17.498 ( -0.521 3.726 1.146) 3.933 18.539 ( -0.923 4.499 -1.219) 4.752 19.232 ( 3.440 -17.717 -4.041) 18.495 ======================= Grid point 863 (373/1062) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( -1.608 21.027 1.242) 21.125 5.143 ( -2.916 -4.319 2.123) 5.627 6.120 ( 0.065 6.611 -1.297) 6.737 7.193 ( -1.882 23.001 -7.649) 24.313 7.471 ( -8.265 7.900 -8.035) 13.974 7.553 ( 1.126 -2.756 11.285) 11.671 8.411 ( 0.417 11.901 1.470) 11.999 10.117 ( -0.017 29.199 -2.244) 29.285 14.669 ( -0.424 -27.347 6.003) 28.001 17.484 ( -0.180 -1.768 0.932) 2.007 18.386 ( -1.153 10.417 -1.120) 10.541 19.566 ( 4.088 -18.372 -7.797) 20.372 ======================= Grid point 864 (374/1062) ======================= q-point: (-0.25 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -0.633 22.966 6.266) 23.814 5.170 ( -4.646 1.827 0.776) 5.053 5.840 ( -0.553 23.554 -3.235) 23.781 6.768 ( -0.049 12.867 -9.150) 15.789 7.145 ( -5.270 17.279 0.137) 18.065 7.788 ( -3.357 -16.488 1.749) 16.917 8.145 ( -0.065 18.475 3.262) 18.761 9.462 ( -0.087 40.807 -1.889) 40.850 15.250 ( -0.490 -31.525 7.160) 32.331 17.559 ( 0.210 -5.900 0.170) 5.906 18.154 ( -0.996 12.424 -1.468) 12.549 19.884 ( 4.300 -17.553 -10.860) 21.084 ======================= Grid point 865 (375/1062) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 1.178 21.892 11.552) 24.781 4.810 ( -4.108 36.422 1.255) 36.674 5.452 ( -3.233 8.939 -10.606) 14.242 6.580 ( 0.368 10.963 -3.552) 11.530 6.827 ( -2.089 10.489 -0.702) 10.718 7.776 ( -1.188 23.287 5.832) 24.035 8.086 ( -3.351 -17.734 -1.879) 18.145 8.644 ( 0.045 46.288 -0.094) 46.288 15.800 ( -0.942 -23.291 6.723) 24.260 17.694 ( 0.604 -7.991 -0.466) 8.028 17.960 ( -0.579 4.900 -1.412) 5.132 20.162 ( 4.069 -15.334 -13.275) 20.686 ======================= Grid point 866 (376/1062) ======================= q-point: (-0.15 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 4.221 19.985 16.651) 26.353 4.002 ( -2.914 46.226 4.216) 46.509 5.219 ( -6.176 7.871 -19.567) 21.976 6.244 ( -0.511 25.079 8.101) 26.360 6.728 ( 2.892 4.035 -11.204) 12.255 7.356 ( -2.555 24.247 12.083) 27.211 7.739 ( 0.130 42.729 0.526) 42.732 8.455 ( -1.749 -18.573 -1.881) 18.750 16.063 ( -1.435 -2.569 4.770) 5.605 17.795 ( 0.585 -4.638 -3.777) 6.010 18.083 ( 0.018 -17.851 3.043) 18.108 20.372 ( 3.313 -11.604 -15.645) 19.758 ======================= Grid point 867 (377/1062) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 8.079 18.411 20.484) 28.702 3.200 ( -3.171 41.549 10.976) 43.091 4.863 ( -5.963 13.820 -25.094) 29.262 5.688 ( -1.288 42.999 9.408) 44.035 6.368 ( 3.548 31.397 -11.649) 33.676 7.070 ( -0.387 15.377 15.531) 21.859 7.235 ( 0.297 8.020 2.835) 8.511 8.777 ( 0.296 -17.979 -3.224) 18.268 15.959 ( -1.582 12.581 3.745) 13.221 17.891 ( 0.404 -7.672 -5.887) 9.679 18.529 ( 0.048 -26.168 6.086) 26.866 20.476 ( 1.684 -6.037 -18.672) 19.696 ======================= Grid point 868 (378/1062) ======================= q-point: (-0.05 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 11.688 18.425 21.193) 30.417 2.586 ( -3.646 30.148 21.748) 37.352 4.423 ( -3.717 17.780 -22.850) 29.191 4.735 ( -2.251 59.732 6.360) 60.112 5.749 ( 2.849 32.129 -10.195) 33.828 6.913 ( 2.984 9.901 18.935) 21.574 7.317 ( -0.117 -10.657 1.111) 10.715 9.074 ( 3.341 -14.703 -3.805) 15.550 15.682 ( -1.682 17.165 3.583) 17.616 18.009 ( -0.100 -7.950 -6.373) 10.189 19.012 ( 0.226 -21.285 5.427) 21.967 20.427 ( -1.726 1.324 -21.231) 21.342 ======================= Grid point 872 (379/1062) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -5.099 0.000 22.619) 23.187 2.013 ( 11.607 -0.000 24.165) 26.808 3.367 ( 4.930 -0.000 38.468) 38.782 3.708 ( 18.912 -0.000 -30.839) 36.176 4.437 ( 5.220 -0.000 -7.533) 9.165 7.441 ( 9.030 -0.000 8.560) 12.442 7.801 ( -10.885 0.000 -6.372) 12.613 9.970 ( 18.070 -0.000 -11.464) 21.400 14.907 ( 0.823 -0.000 -0.716) 1.090 18.109 ( -3.563 0.000 -2.071) 4.122 18.394 ( 1.137 -0.000 2.116) 2.402 20.314 ( -6.593 0.000 7.907) 10.295 ======================= Grid point 873 (380/1062) ======================= q-point: ( 0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 0.344 -29.323 19.987) 35.488 2.354 ( 3.283 -27.780 20.664) 34.778 3.495 ( -2.951 0.148 7.814) 8.353 3.841 ( 30.612 -4.599 -4.487) 31.279 4.611 ( 4.685 -17.513 -8.151) 19.877 7.479 ( -1.151 6.443 -0.966) 6.616 7.649 ( 1.266 3.394 1.473) 3.911 9.962 ( 16.690 9.716 -6.876) 20.500 15.042 ( 0.133 -13.276 -0.259) 13.279 18.028 ( -2.658 4.165 -2.817) 5.687 18.637 ( -0.759 -21.431 -1.328) 21.485 20.190 ( -6.254 11.736 6.249) 14.694 ======================= Grid point 874 (381/1062) ======================= q-point: ( 0.25 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 0.291 -13.136 18.846) 22.974 3.210 ( 0.401 -27.663 11.263) 29.871 3.577 ( 0.797 -26.625 -6.512) 27.421 4.266 ( 27.779 -16.767 6.843) 33.161 5.022 ( 3.586 -26.888 -7.806) 28.227 7.251 ( -5.105 9.078 -5.195) 11.638 7.719 ( 7.101 -1.945 5.141) 8.980 9.839 ( 15.253 14.669 -2.638) 21.326 15.343 ( -0.668 -18.816 0.880) 18.848 17.902 ( -1.721 5.965 -3.436) 7.096 19.015 ( -2.568 -20.156 -3.373) 20.598 19.861 ( -5.869 20.719 2.471) 21.676 ======================= Grid point 875 (382/1062) ======================= q-point: ( 0.30 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -3.268 -12.936 6.482) 14.834 3.376 ( -3.444 -10.478 -2.862) 11.395 4.312 ( 22.183 -22.515 12.535) 34.002 5.033 ( 10.389 -48.532 2.895) 49.716 5.536 ( 3.224 -29.429 -7.335) 30.500 7.081 ( -3.684 2.518 -4.636) 6.434 7.849 ( 5.338 -4.573 4.065) 8.120 9.640 ( 14.059 18.873 -0.711) 23.545 15.696 ( -0.684 -19.239 1.555) 19.314 17.764 ( -0.736 5.980 -3.485) 6.960 19.189 ( -2.487 9.121 6.647) 11.557 19.457 ( -6.077 6.925 -9.965) 13.572 ======================= Grid point 876 (383/1062) ======================= q-point: ( 0.35 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -7.051 -6.686 -9.498) 13.588 3.724 ( -1.344 -28.687 3.431) 28.923 4.833 ( 27.097 -8.196 16.453) 32.744 5.999 ( 0.414 -31.581 4.187) 31.860 6.074 ( 8.276 -41.734 -11.344) 44.033 7.107 ( -4.488 -13.455 -2.637) 14.427 8.005 ( 2.783 -7.435 2.563) 8.342 9.362 ( 13.000 22.911 -0.005) 26.343 16.027 ( -0.254 -15.819 1.725) 15.915 17.653 ( 0.171 3.942 -3.165) 5.059 18.713 ( -3.218 31.711 3.809) 32.100 19.441 ( -4.459 -3.764 -7.611) 9.591 ======================= Grid point 877 (384/1062) ======================= q-point: ( 0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -8.332 -7.672 -13.027) 17.263 4.361 ( 0.131 -38.742 2.682) 38.834 5.215 ( 24.614 -3.108 17.370) 30.285 6.313 ( 5.054 -7.713 -5.751) 10.867 6.794 ( 2.672 -29.375 -1.426) 29.531 7.579 ( -3.680 -39.832 -2.928) 40.109 8.199 ( 0.318 -12.624 1.971) 12.781 9.012 ( 11.813 25.811 0.479) 28.390 16.239 ( -0.425 -4.631 2.169) 5.132 17.602 ( 0.843 0.269 -2.934) 3.064 18.166 ( -2.047 24.437 0.988) 24.543 19.374 ( -3.682 4.483 -4.359) 7.256 ======================= Grid point 878 (385/1062) ======================= q-point: ( 0.45 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -8.241 -10.708 -11.940) 18.032 5.125 ( 1.519 -41.536 1.682) 41.597 5.497 ( 20.003 -0.902 15.947) 25.598 6.379 ( 5.281 0.258 -5.444) 7.589 7.266 ( 0.819 -22.160 1.150) 22.205 8.102 ( -3.006 -17.124 -7.668) 19.002 8.559 ( 8.210 6.608 6.542) 12.405 8.716 ( 2.005 -18.065 -1.566) 18.243 16.121 ( -1.880 18.636 1.980) 18.835 17.628 ( 1.224 -3.503 -2.752) 4.620 17.905 ( 0.209 2.448 0.484) 2.504 19.189 ( -2.960 10.898 -2.049) 11.477 ======================= Grid point 879 (386/1062) ======================= q-point: ( 0.50 0.15 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( -7.436 -13.271 -9.454) 17.911 5.589 ( 13.101 2.308 9.977) 16.629 6.001 ( 3.641 -40.360 4.130) 40.734 6.368 ( 5.143 2.398 -4.418) 7.191 7.615 ( 3.082 -11.902 2.900) 12.632 8.128 ( 0.947 12.579 0.218) 12.616 8.352 ( 1.398 0.145 -3.741) 3.997 9.409 ( 0.525 -38.642 0.254) 38.647 15.614 ( -2.654 32.614 0.570) 32.727 17.716 ( 1.336 -5.748 -1.956) 6.216 18.024 ( 1.295 -11.593 1.043) 11.711 18.934 ( -2.213 13.372 -0.235) 13.556 ======================= Grid point 880 (387/1062) ======================= q-point: ( 0.55 0.15 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( -6.103 -14.021 -6.553) 16.637 5.592 ( 9.180 9.955 5.330) 14.553 6.322 ( 3.189 3.447 -2.169) 5.173 6.783 ( 3.763 -37.411 2.970) 37.717 7.647 ( 11.299 17.208 7.065) 21.765 8.009 ( -7.612 -5.030 2.331) 9.417 8.411 ( -0.946 -6.880 -7.437) 10.176 10.043 ( 1.013 -29.388 -0.143) 29.405 14.986 ( -2.479 32.283 -0.242) 32.379 17.805 ( 0.932 -2.597 -2.059) 3.443 18.274 ( 1.007 -12.509 1.462) 12.635 18.715 ( -1.010 7.498 1.296) 7.676 ======================= Grid point 881 (388/1062) ======================= q-point: (-0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( -4.128 -11.174 -3.473) 12.408 5.436 ( 5.112 14.087 1.366) 15.048 6.267 ( 2.112 3.483 -1.720) 4.421 7.404 ( 3.710 -23.854 4.098) 24.486 7.437 ( 6.530 14.250 6.351) 16.913 8.040 ( -8.469 -2.331 0.947) 8.835 8.503 ( 1.002 -6.042 -5.126) 7.987 10.474 ( 1.022 -16.606 -0.444) 16.643 14.455 ( -1.977 22.466 0.179) 22.554 17.763 ( -0.069 6.533 -0.580) 6.559 18.460 ( 0.191 -7.232 -2.261) 7.580 18.727 ( 0.926 -7.381 3.311) 8.143 ======================= Grid point 882 (389/1062) ======================= q-point: (-0.35 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( -1.348 -1.933 -0.005) 2.356 5.219 ( 1.701 11.464 0.660) 11.609 6.219 ( 1.139 2.346 -1.365) 2.943 7.297 ( -0.426 5.474 0.078) 5.491 7.712 ( 3.471 -4.570 3.304) 6.622 7.955 ( -6.809 5.733 0.394) 8.910 8.581 ( 1.926 -2.330 -1.091) 3.214 10.643 ( 0.761 -1.213 -1.077) 1.792 14.190 ( -1.378 4.736 2.132) 5.374 17.615 ( -0.362 8.148 1.322) 8.263 18.539 ( -0.307 -2.764 -3.268) 4.291 18.951 ( 1.939 -13.600 0.201) 13.739 ======================= Grid point 883 (390/1062) ======================= q-point: (-0.30 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( 1.606 12.341 4.285) 13.162 5.098 ( -1.190 2.091 0.964) 2.592 6.184 ( 0.699 1.999 -1.037) 2.358 7.210 ( -8.193 -1.208 -10.477) 13.354 7.632 ( -0.204 16.284 -5.626) 17.230 7.783 ( 0.876 8.956 10.759) 14.026 8.581 ( 1.583 4.694 1.916) 5.312 10.514 ( 0.447 15.004 -2.059) 15.152 14.295 ( -0.874 -14.918 5.142) 15.804 17.509 ( -0.079 3.797 2.128) 4.353 18.510 ( -0.758 4.304 -2.080) 4.840 19.234 ( 2.515 -16.590 -5.613) 17.694 ======================= Grid point 884 (391/1062) ======================= q-point: (-0.25 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 3.703 21.558 9.141) 23.707 5.102 ( -3.342 -2.679 -0.313) 4.295 6.118 ( 0.774 7.182 -0.663) 7.254 7.019 ( -7.687 13.276 -13.499) 20.435 7.257 ( -4.784 11.141 -11.506) 16.715 7.729 ( 4.006 4.982 13.880) 15.281 8.447 ( 1.035 12.277 3.154) 12.718 10.095 ( 0.244 29.401 -2.696) 29.525 14.726 ( -0.687 -28.038 7.798) 29.111 17.497 ( 0.282 -1.283 1.727) 2.170 18.357 ( -0.835 10.439 -1.753) 10.618 19.533 ( 2.674 -17.888 -10.329) 20.828 ======================= Grid point 885 (392/1062) ======================= q-point: (-0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 5.697 23.473 13.955) 27.895 5.073 ( -5.902 3.170 -3.795) 7.700 5.818 ( 1.183 27.018 -2.700) 27.178 6.663 ( -1.314 8.939 -10.725) 14.024 7.018 ( -6.393 8.553 -5.902) 12.200 7.816 ( 1.614 -6.609 5.881) 8.992 8.191 ( 1.103 17.943 4.284) 18.481 9.443 ( 0.171 40.312 -2.288) 40.377 15.316 ( -0.881 -31.139 9.055) 32.441 17.568 ( 0.570 -5.427 0.569) 5.486 18.125 ( -0.586 12.354 -2.145) 12.553 19.822 ( 2.416 -17.480 -13.415) 22.166 ======================= Grid point 886 (393/1062) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 8.362 21.846 18.282) 29.688 4.733 ( -5.606 30.099 -2.179) 30.694 5.308 ( -1.116 19.307 -12.348) 22.946 6.534 ( -0.171 4.562 -6.313) 7.790 6.796 ( -1.215 9.601 0.345) 9.684 7.808 ( -1.600 19.242 5.685) 20.128 8.076 ( 3.044 -9.740 -0.556) 10.219 8.645 ( 0.245 44.153 -0.200) 44.155 15.853 ( -1.280 -21.727 8.194) 23.256 17.700 ( 0.792 -7.280 -0.658) 7.352 17.938 ( -0.306 3.563 -1.661) 3.943 20.072 ( 1.711 -15.217 -15.454) 21.756 ======================= Grid point 887 (394/1062) ======================= q-point: (-0.10 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 11.557 19.513 21.448) 31.214 4.000 ( -2.499 42.697 4.174) 42.973 4.938 ( -4.758 12.537 -22.012) 25.774 6.307 ( -0.088 21.256 5.896) 22.058 6.665 ( 3.006 6.748 -10.993) 13.244 7.447 ( -0.724 21.539 12.746) 25.038 7.744 ( 0.085 39.436 0.236) 39.437 8.452 ( 3.602 -16.144 -2.238) 16.692 16.088 ( -1.444 -1.116 5.400) 5.700 17.765 ( 0.533 -3.167 -4.364) 5.419 18.114 ( -0.141 -20.179 3.653) 20.507 20.245 ( 0.431 -10.844 -17.349) 20.464 ======================= Grid point 888 (395/1062) ======================= q-point: (-0.05 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 14.661 18.274 22.451) 32.449 3.273 ( -1.625 37.823 12.523) 39.875 4.548 ( -3.493 13.762 -26.306) 29.894 5.756 ( -0.994 44.755 9.007) 45.663 6.296 ( 3.314 29.079 -14.536) 32.678 7.236 ( 1.224 7.856 16.205) 18.050 7.260 ( 0.864 13.368 2.638) 13.654 8.793 ( 5.861 -17.636 -3.948) 18.999 15.971 ( -1.416 12.968 3.720) 13.565 17.839 ( 0.132 -6.885 -5.995) 9.130 18.586 ( -0.453 -26.875 6.806) 27.727 20.294 ( -1.748 -4.059 -19.589) 20.081 ======================= Grid point 893 (396/1062) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -4.023 0.000 19.796) 20.201 2.344 ( 2.180 -0.000 23.375) 23.476 3.491 ( -1.726 0.000 -6.456) 6.683 4.082 ( 33.978 -0.000 10.804) 35.655 4.449 ( 5.440 -0.000 -7.566) 9.318 7.500 ( -6.795 0.000 -7.134) 9.852 7.704 ( 5.179 -0.000 2.244) 5.644 10.151 ( 16.121 -0.000 -6.510) 17.386 14.916 ( 1.019 -0.000 -0.304) 1.063 18.039 ( -3.427 0.000 -1.266) 3.653 18.430 ( 1.289 -0.000 1.442) 1.935 20.283 ( -6.284 0.000 6.526) 9.059 ======================= Grid point 894 (397/1062) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -1.404 -38.419 16.584) 41.869 2.544 ( -2.471 -17.071 17.872) 24.838 3.413 ( -2.277 1.952 -8.797) 9.294 4.426 ( 33.901 -2.820 10.759) 35.679 4.620 ( 6.429 -16.286 -5.790) 18.442 7.326 ( -7.588 6.949 -8.586) 13.401 7.767 ( 6.719 -0.550 1.965) 7.022 10.164 ( 14.994 8.756 -2.842) 17.595 15.046 ( 0.429 -12.618 0.178) 12.627 17.966 ( -2.555 4.035 -1.669) 5.060 18.620 ( -0.368 -17.189 -0.554) 17.201 20.148 ( -5.983 12.337 5.021) 14.601 ======================= Grid point 895 (398/1062) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -3.477 -8.761 11.690) 15.017 3.210 ( -2.670 -10.913 -1.594) 11.348 3.581 ( -1.475 -50.776 6.122) 51.165 4.825 ( 30.730 -9.695 5.150) 32.632 5.035 ( 7.699 -23.587 -1.397) 24.851 7.108 ( -5.154 6.234 -8.006) 11.381 7.843 ( 5.003 -1.914 1.103) 5.469 10.055 ( 13.751 14.520 0.009) 19.998 15.344 ( -0.339 -18.713 0.980) 18.742 17.851 ( -1.512 5.667 -2.062) 6.217 18.949 ( -2.442 -18.891 -2.328) 19.189 19.799 ( -5.346 22.598 2.692) 23.377 ======================= Grid point 896 (399/1062) ======================= q-point: ( 0.35 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -5.746 -4.875 -4.846) 8.959 3.333 ( -2.841 -14.187 4.499) 15.152 4.665 ( 6.486 -48.530 12.523) 50.537 5.335 ( 24.367 -23.825 -0.130) 34.080 5.549 ( 5.473 -26.521 0.078) 27.080 6.968 ( -3.627 0.852 -7.437) 8.318 7.927 ( 2.179 -3.936 0.353) 4.513 9.851 ( 12.526 19.210 1.126) 22.961 15.701 ( -0.381 -19.510 1.224) 19.552 17.728 ( -0.504 5.522 -1.997) 5.893 19.198 ( -3.033 -5.617 3.113) 7.103 19.297 ( -4.905 22.559 -4.618) 23.544 ======================= Grid point 897 (400/1062) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -6.507 -3.760 -11.030) 13.347 3.750 ( -1.638 -29.193 6.342) 29.918 5.378 ( 21.504 -12.509 16.274) 29.728 6.045 ( 4.141 -22.394 -1.563) 22.827 6.136 ( 9.465 -44.972 -3.794) 46.113 6.998 ( -4.571 -14.057 -5.316) 15.708 8.027 ( -0.986 -6.786 -0.464) 6.873 9.562 ( 11.398 23.295 1.506) 25.978 16.037 ( 0.022 -16.132 0.848) 16.154 17.634 ( 0.361 3.547 -1.660) 3.933 18.683 ( -3.381 31.848 0.871) 32.039 19.332 ( -3.542 -4.379 -2.416) 6.129 ======================= Grid point 898 (401/1062) ======================= q-point: ( 0.45 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -5.996 -6.759 -9.536) 13.137 4.393 ( -0.374 -38.654 4.312) 38.896 5.733 ( 21.372 -1.262 15.289) 26.308 6.341 ( 5.251 -7.629 -5.548) 10.797 6.826 ( 3.592 -26.877 -1.523) 27.159 7.485 ( -3.971 -40.525 -3.960) 40.911 8.183 ( -3.003 -14.475 0.047) 14.783 9.199 ( 10.206 26.354 1.949) 28.328 16.245 ( -0.195 -4.120 0.087) 4.126 17.597 ( 0.959 0.240 -1.264) 1.604 18.140 ( -1.866 22.957 0.050) 23.033 19.301 ( -2.956 4.066 -0.312) 5.036 ======================= Grid point 899 (402/1062) ======================= q-point: ( 0.50 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -4.814 -10.091 -6.229) 12.798 5.163 ( 0.643 -42.558 3.273) 42.689 5.915 ( 15.363 3.491 11.737) 19.646 6.418 ( 7.191 -0.132 -5.898) 9.301 7.280 ( -0.633 -22.375 1.433) 22.430 7.979 ( -3.418 -16.874 -6.575) 18.430 8.668 ( -0.439 -36.995 3.110) 37.128 8.791 ( 7.787 24.958 1.495) 26.187 16.097 ( -1.561 19.782 -1.351) 19.890 17.628 ( 1.234 -3.323 -1.288) 3.772 17.916 ( 0.319 0.478 1.081) 1.224 19.146 ( -2.255 10.547 1.480) 10.887 ======================= Grid point 900 (403/1062) ======================= q-point: ( 0.55 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( -3.275 -12.577 -2.797) 13.294 5.787 ( 5.172 -6.522 2.411) 8.666 6.125 ( 3.643 -27.385 6.849) 28.463 6.431 ( 9.035 2.046 -3.755) 9.995 7.632 ( -3.540 -16.373 1.919) 16.861 8.135 ( 1.498 -3.719 -1.462) 4.268 8.379 ( 3.469 20.343 0.198) 20.637 9.421 ( 0.336 -39.025 0.962) 39.038 15.568 ( -2.210 32.620 -2.342) 32.779 17.713 ( 1.150 -5.448 -2.540) 6.120 18.062 ( 1.181 -11.900 2.783) 12.278 18.919 ( -1.469 12.987 3.060) 13.423 ======================= Grid point 901 (404/1062) ======================= q-point: ( 0.60 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -1.441 -13.408 0.394) 13.491 5.719 ( 4.068 11.385 -0.779) 12.115 6.355 ( 3.390 4.027 -1.579) 5.495 6.887 ( 4.637 -35.764 4.869) 36.391 7.782 ( -0.991 4.321 0.359) 4.448 7.966 ( -1.122 9.954 6.117) 11.737 8.351 ( 1.426 -8.739 -4.302) 9.845 10.060 ( 0.916 -29.306 0.578) 29.326 14.938 ( -2.099 31.523 -2.246) 31.673 17.791 ( 0.585 -2.596 -3.319) 4.254 18.306 ( 0.707 -10.584 2.241) 10.841 18.734 ( -0.183 6.304 4.499) 7.746 ======================= Grid point 902 (405/1062) ======================= q-point: (-0.35 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( 0.806 -11.056 3.537) 11.636 5.490 ( 1.857 14.685 -1.981) 14.934 6.286 ( 2.162 4.502 -1.451) 5.201 7.447 ( 0.401 -0.592 -2.775) 2.866 7.546 ( 0.904 -5.897 3.766) 7.055 7.956 ( -5.013 -1.178 5.150) 7.283 8.508 ( 3.458 -6.808 -1.004) 7.702 10.488 ( 1.012 -16.090 0.091) 16.122 14.423 ( -1.745 21.004 -0.832) 21.093 17.754 ( -0.129 5.424 -1.116) 5.539 18.440 ( -0.021 -4.974 -1.892) 5.322 18.783 ( 1.187 -7.238 4.594) 8.655 ======================= Grid point 903 (406/1062) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( 3.548 -2.644 7.011) 8.290 5.235 ( 0.197 12.120 -0.646) 12.138 6.224 ( 1.105 2.817 -1.284) 3.287 7.165 ( -7.854 9.542 -11.115) 16.621 7.765 ( -0.968 -0.393 -2.126) 2.369 7.950 ( 1.506 2.441 10.344) 10.735 8.624 ( 2.928 -2.403 1.609) 4.115 10.646 ( 0.848 -0.347 -0.904) 1.287 14.189 ( -1.325 2.696 2.194) 3.720 17.626 ( -0.060 7.278 1.733) 7.482 18.502 ( -0.349 -2.813 -3.435) 4.454 18.978 ( 1.495 -11.111 -0.222) 11.213 ======================= Grid point 904 (407/1062) ======================= q-point: (-0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.560 ( 6.269 11.558 11.086) 17.198 5.083 ( -1.480 3.805 0.185) 4.087 6.186 ( 0.835 1.830 -0.963) 2.230 6.916 ( -11.401 2.141 -16.608) 20.258 7.545 ( -1.733 17.940 -7.912) 19.684 7.956 ( 4.494 6.667 13.071) 15.346 8.631 ( 1.791 5.107 2.880) 6.131 10.502 ( 0.638 15.799 -2.233) 15.968 14.333 ( -1.024 -16.736 6.066) 17.831 17.535 ( 0.374 3.736 2.967) 4.785 18.478 ( -0.601 3.936 -2.524) 4.714 19.205 ( 1.496 -14.403 -7.126) 16.139 ======================= Grid point 905 (408/1062) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( 8.378 21.119 15.357) 27.423 5.032 ( -4.013 0.635 -2.675) 4.864 6.131 ( 1.520 6.853 -0.138) 7.021 6.740 ( -9.122 1.927 -15.508) 18.095 7.102 ( -1.729 19.429 -11.827) 22.811 7.918 ( 4.224 6.821 12.219) 14.618 8.495 ( 1.300 12.309 3.119) 12.764 10.074 ( 0.512 29.635 -2.997) 29.791 14.792 ( -1.043 -28.887 9.144) 30.318 17.525 ( 0.705 -0.598 2.474) 2.641 18.328 ( -0.463 10.412 -2.300) 10.673 19.456 ( 1.154 -16.805 -12.241) 20.823 ======================= Grid point 906 (409/1062) ======================= q-point: (-0.15 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 10.520 22.780 19.105) 31.537 4.912 ( -7.491 5.899 -8.496) 12.770 5.823 ( 2.462 30.075 -2.425) 30.273 6.536 ( -1.578 4.400 -10.929) 11.886 6.878 ( -3.055 0.858 -6.676) 7.392 7.915 ( 2.691 1.184 6.601) 7.227 8.255 ( 2.389 16.018 3.584) 16.587 9.425 ( 0.411 39.838 -2.492) 39.918 15.391 ( -1.353 -30.813 10.479) 32.575 17.587 ( 0.863 -4.629 0.867) 4.788 18.096 ( -0.132 12.317 -2.833) 12.639 19.711 ( 0.505 -17.026 -14.945) 22.660 ======================= Grid point 907 (410/1062) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 12.891 20.818 21.749) 32.750 4.585 ( -7.303 20.395 -8.073) 23.119 5.195 ( 0.647 31.556 -10.458) 33.250 6.465 ( 0.258 0.591 -8.158) 8.183 6.810 ( 1.715 6.923 2.284) 7.489 7.840 ( -0.608 14.781 5.355) 15.733 8.146 ( 6.059 -1.875 -0.851) 6.399 8.649 ( 0.534 41.415 -0.195) 41.419 15.913 ( -1.595 -20.148 9.297) 22.247 17.704 ( 0.915 -5.693 -1.374) 5.928 17.920 ( -0.082 1.650 -1.584) 2.289 19.931 ( -0.492 -14.672 -16.319) 21.950 ======================= Grid point 908 (411/1062) ======================= q-point: (-0.05 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 14.989 18.503 22.706) 32.903 3.999 ( -2.073 35.750 3.020) 35.937 4.669 ( -3.044 17.647 -21.688) 28.126 6.341 ( 0.342 14.597 0.479) 14.609 6.634 ( 4.108 14.903 -6.779) 16.880 7.575 ( 1.828 17.416 12.906) 21.753 7.745 ( -0.101 37.182 -0.192) 37.183 8.514 ( 7.215 -14.959 -3.201) 16.913 16.119 ( -1.362 0.429 5.766) 5.940 17.730 ( 0.555 -1.951 -4.831) 5.239 18.145 ( -0.508 -22.107 3.966) 22.466 20.068 ( -1.961 -9.538 -17.483) 20.012 ======================= Grid point 914 (412/1062) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -3.647 0.000 17.187) 17.569 2.520 ( -3.739 0.000 17.034) 17.440 3.383 ( -2.300 0.000 -7.543) 7.886 4.464 ( 5.559 -0.000 -7.582) 9.402 4.759 ( 36.124 -0.000 14.539) 38.941 7.281 ( -8.396 0.000 -10.927) 13.780 7.818 ( 6.103 -0.000 0.235) 6.108 10.346 ( 13.740 -0.000 -1.719) 13.847 14.932 ( 1.077 -0.000 0.191) 1.094 17.981 ( -3.032 0.000 -0.375) 3.055 18.460 ( 1.325 -0.000 0.614) 1.460 20.239 ( -6.148 0.000 4.652) 7.710 ======================= Grid point 915 (413/1062) ======================= q-point: ( 0.30 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -2.093 -41.406 13.616) 43.638 2.609 ( -5.549 -11.679 9.523) 16.059 3.307 ( -3.692 2.106 -2.874) 5.131 4.610 ( 5.597 -14.688 -7.613) 17.465 5.128 ( 35.418 -2.469 13.767) 38.080 7.120 ( -6.819 4.437 -11.143) 13.797 7.863 ( 4.749 -0.336 -0.539) 4.791 10.368 ( 12.343 8.113 0.389) 14.776 15.057 ( 0.552 -12.047 0.657) 12.077 17.919 ( -2.202 3.811 -0.479) 4.427 18.612 ( -0.074 -14.083 -0.558) 14.094 20.096 ( -5.794 12.403 3.315) 14.085 ======================= Grid point 916 (414/1062) ======================= q-point: ( 0.35 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -5.178 -3.421 0.377) 6.218 3.174 ( -3.091 -6.820 4.748) 8.866 3.616 ( -2.870 -59.477 8.115) 60.097 4.985 ( 5.858 -24.522 -7.534) 26.314 5.524 ( 32.449 -4.786 13.384) 35.425 6.943 ( -4.506 3.719 -10.922) 12.387 7.899 ( 2.336 -1.006 -0.846) 2.680 10.257 ( 10.979 14.233 1.543) 18.042 15.350 ( -0.137 -18.434 1.128) 18.469 17.817 ( -1.159 5.339 -0.599) 5.496 18.895 ( -1.979 -16.856 -1.767) 17.063 19.741 ( -4.995 22.727 1.994) 23.355 ======================= Grid point 917 (415/1062) ======================= q-point: ( 0.40 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -4.785 -1.046 -7.915) 9.308 3.353 ( -3.529 -15.777 9.193) 18.598 4.799 ( -0.100 -61.058 8.557) 61.654 5.498 ( 7.460 -29.815 -8.393) 31.859 5.922 ( 25.872 -6.647 13.644) 29.995 6.831 ( -2.620 -0.710 -10.999) 11.329 7.931 ( -1.011 -2.512 -1.020) 2.893 10.040 ( 9.690 19.061 1.693) 21.450 15.707 ( -0.161 -19.562 0.909) 19.584 17.711 ( -0.195 5.130 -0.426) 5.152 19.126 ( -3.071 -6.524 -5.809) 9.259 19.244 ( -3.810 23.862 5.197) 24.716 ======================= Grid point 918 (416/1062) ======================= q-point: ( 0.45 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -3.647 -2.938 -6.896) 8.336 3.784 ( -2.366 -29.182 7.477) 30.217 5.742 ( 8.193 -29.311 10.307) 32.133 6.102 ( 7.100 -26.207 -5.178) 27.642 6.326 ( 13.684 -22.761 4.694) 26.969 6.880 ( -1.467 -14.414 -7.430) 16.283 7.977 ( -4.250 -5.879 -1.026) 7.327 9.733 ( 8.459 22.995 1.626) 24.555 16.043 ( 0.212 -16.046 -0.038) 16.047 17.633 ( 0.602 3.235 -0.087) 3.292 18.629 ( -2.960 30.596 -1.506) 30.775 19.281 ( -2.731 -4.053 1.693) 5.173 ======================= Grid point 919 (417/1062) ======================= q-point: ( 0.50 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -2.103 -6.449 -2.763) 7.324 4.429 ( -0.949 -38.883 5.515) 39.284 6.124 ( 12.160 0.011 8.834) 15.030 6.371 ( 6.002 -9.873 -5.808) 12.932 6.887 ( 5.579 -21.162 -0.764) 21.899 7.399 ( -2.263 -40.237 -2.298) 40.366 8.122 ( -4.818 -17.298 0.431) 17.962 9.353 ( 7.068 26.038 1.777) 27.039 16.235 ( -0.018 -2.860 -1.850) 3.407 17.609 ( 1.123 0.184 0.370) 1.197 18.112 ( -1.474 20.866 -0.418) 20.922 19.274 ( -2.129 3.814 2.849) 5.216 ======================= Grid point 920 (418/1062) ======================= q-point: ( 0.55 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -0.382 -9.559 1.382) 9.666 5.207 ( 0.131 -42.776 4.778) 43.042 6.125 ( 3.068 5.230 0.503) 6.084 6.533 ( 13.342 -0.343 -2.898) 13.658 7.263 ( -3.754 -19.973 1.469) 20.375 7.904 ( -0.075 -17.573 -1.782) 17.663 8.668 ( -1.598 -41.251 1.524) 41.310 8.917 ( 5.205 27.581 2.269) 28.160 16.050 ( -1.169 20.992 -3.986) 21.399 17.641 ( 1.224 -2.328 -0.259) 2.642 17.935 ( 0.373 -1.866 1.877) 2.673 19.145 ( -1.406 10.211 4.282) 11.162 ======================= Grid point 921 (419/1062) ======================= q-point: ( 0.60 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 1.447 -11.836 4.716) 12.823 5.827 ( 0.685 -7.670 -2.760) 8.180 6.185 ( -1.554 -23.563 3.264) 23.838 6.579 ( 11.272 1.458 -1.396) 11.451 7.563 ( -6.394 -15.969 1.823) 17.298 8.168 ( 3.507 -11.698 0.391) 12.219 8.436 ( 2.187 27.972 1.430) 28.094 9.438 ( 0.218 -39.432 1.634) 39.467 15.504 ( -1.702 32.460 -4.505) 32.815 17.705 ( 0.884 -4.260 -2.578) 5.057 18.110 ( 0.940 -12.172 3.696) 12.756 18.945 ( -0.550 12.503 5.639) 13.727 ======================= Grid point 922 (420/1062) ======================= q-point: ( 0.65 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 3.431 -12.778 7.441) 15.179 5.701 ( -1.570 9.852 -7.120) 12.257 6.393 ( 2.575 4.118 -0.655) 4.901 7.004 ( 3.409 -33.629 5.575) 34.258 7.716 ( -4.177 0.825 -0.494) 4.287 7.986 ( -3.105 15.288 1.400) 15.663 8.400 ( 5.638 -8.568 2.228) 10.496 10.082 ( 0.804 -29.255 1.210) 29.291 14.881 ( -1.682 30.598 -3.728) 30.870 17.763 ( 0.188 -2.396 -3.840) 4.531 18.338 ( 0.348 -8.426 2.861) 8.905 18.790 ( 0.715 5.464 6.418) 8.459 ======================= Grid point 923 (421/1062) ======================= q-point: (-0.30 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( 5.596 -10.919 9.970) 15.810 5.450 ( -2.290 11.787 -5.967) 13.409 6.306 ( 1.790 5.546 -0.832) 5.886 7.345 ( -5.547 20.562 -8.231) 22.833 7.571 ( -1.567 -19.593 3.297) 19.930 7.977 ( -0.443 -4.444 6.985) 8.291 8.583 ( 4.846 -5.602 2.221) 7.733 10.506 ( 0.951 -15.542 0.505) 15.579 14.386 ( -1.487 19.298 -1.555) 19.417 17.738 ( -0.224 3.535 -1.849) 3.996 18.429 ( -0.160 -2.560 0.004) 2.565 18.845 ( 1.390 -5.771 4.206) 7.275 ======================= Grid point 924 (422/1062) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( 7.685 -3.251 12.519) 15.046 5.210 ( -1.738 9.853 -2.226) 10.249 6.229 ( 0.949 3.425 -1.097) 3.719 6.896 ( -10.277 14.149 -14.298) 22.589 7.696 ( -3.234 3.049 -2.995) 5.360 8.107 ( 4.046 -1.228 10.489) 11.309 8.692 ( 3.076 -1.343 2.447) 4.154 10.652 ( 0.881 0.566 -0.834) 1.339 14.189 ( -1.271 0.387 2.258) 2.620 17.644 ( 0.204 5.649 1.669) 5.893 18.468 ( -0.456 -2.130 -2.394) 3.236 18.992 ( 1.145 -7.954 -1.317) 8.143 ======================= Grid point 925 (423/1062) ======================= q-point: (-0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( 9.259 10.305 15.289) 20.632 5.056 ( -1.924 5.560 -0.179) 5.887 6.190 ( 0.907 0.994 -1.368) 1.919 6.578 ( -10.616 2.651 -17.545) 20.678 7.444 ( -1.529 18.922 -7.865) 20.549 8.138 ( 3.844 6.127 11.151) 13.292 8.684 ( 1.705 5.660 2.328) 6.353 10.491 ( 0.793 16.580 -2.375) 16.768 14.376 ( -1.219 -18.706 6.626) 19.882 17.575 ( 0.773 3.427 3.540) 4.988 18.445 ( -0.491 3.606 -2.486) 4.407 19.148 ( 0.582 -11.372 -8.375) 14.135 ======================= Grid point 926 (424/1062) ======================= q-point: (-0.15 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.683 ( 10.986 19.518 18.701) 29.178 4.918 ( -6.046 6.042 -5.814) 10.337 6.165 ( 2.658 5.639 0.548) 6.258 6.481 ( -5.292 -5.475 -14.140) 16.060 6.975 ( -0.539 22.057 -11.394) 24.832 8.079 ( 2.853 7.877 9.965) 13.019 8.543 ( 1.695 11.847 1.987) 12.131 10.056 ( 0.758 29.846 -3.115) 30.017 14.862 ( -1.472 -29.847 9.847) 31.464 17.565 ( 1.051 0.253 3.101) 3.284 18.300 ( -0.084 10.408 -2.726) 10.759 19.343 ( -0.240 -15.257 -13.273) 20.224 ======================= Grid point 927 (425/1062) ======================= q-point: (-0.10 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( 12.913 21.355 21.467) 32.918 4.679 ( -9.352 8.191 -13.068) 18.037 5.845 ( 3.081 33.794 -2.423) 34.020 6.422 ( -0.143 0.994 -10.031) 10.081 6.819 ( 2.406 -6.170 -4.103) 7.790 8.005 ( 1.197 6.006 5.528) 8.250 8.330 ( 3.809 13.137 1.984) 13.822 9.409 ( 0.625 39.412 -2.460) 39.493 15.468 ( -1.859 -30.674 11.187) 32.704 17.611 ( 1.070 -3.428 1.007) 3.730 18.068 ( 0.319 12.307 -3.459) 12.788 19.563 ( -1.152 -16.304 -15.181) 22.307 ======================= Grid point 928 (426/1062) ======================= q-point: (-0.05 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( 13.718 19.717 21.891) 32.499 4.367 ( -6.823 12.136 -13.202) 19.186 5.132 ( 1.446 39.674 -6.892) 40.294 6.398 ( 1.349 -0.882 -8.421) 8.574 6.894 ( 5.178 5.697 3.779) 8.576 7.894 ( 1.356 10.369 5.118) 11.643 8.228 ( 6.001 4.025 -2.464) 7.635 8.659 ( 1.035 37.514 -0.154) 37.529 15.976 ( -1.848 -18.769 9.803) 21.255 17.701 ( 0.994 -3.238 -2.597) 4.268 17.907 ( 0.050 -0.755 -1.140) 1.368 19.758 ( -2.223 -13.843 -15.666) 21.024 ======================= Grid point 935 (427/1062) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -3.842 0.000 14.886) 15.374 2.554 ( -5.842 0.000 6.980) 9.102 3.300 ( -4.317 0.000 1.214) 4.484 4.479 ( 5.556 -0.000 -7.587) 9.404 5.448 ( 34.888 -0.000 13.666) 37.469 7.049 ( -6.972 0.000 -12.938) 14.696 7.892 ( 4.044 -0.000 -0.913) 4.145 10.535 ( 10.479 -0.000 1.167) 10.544 14.953 ( 0.988 -0.000 0.725) 1.226 17.938 ( -2.461 0.000 0.531) 2.518 18.482 ( 1.247 -0.000 -0.294) 1.281 20.178 ( -5.915 0.000 2.512) 6.426 ======================= Grid point 936 (428/1062) ======================= q-point: ( 0.35 0.30 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -2.986 -36.686 9.879) 38.110 2.573 ( -5.193 -14.375 2.937) 15.564 3.252 ( -5.578 1.787 6.059) 8.428 4.625 ( 5.289 -14.686 -7.233) 17.204 5.791 ( 33.022 -1.608 12.988) 35.521 6.909 ( -5.535 2.619 -13.319) 14.659 7.911 ( 2.488 0.402 -0.816) 2.649 10.545 ( 8.795 7.716 1.779) 11.835 15.074 ( 0.505 -11.553 1.111) 11.617 17.890 ( -1.700 3.505 0.672) 3.953 18.606 ( 0.122 -11.927 -0.958) 11.966 20.030 ( -5.433 12.127 1.369) 13.359 ======================= Grid point 937 (429/1062) ======================= q-point: ( 0.40 0.30 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -3.454 -0.276 -3.293) 4.781 3.190 ( -4.628 -5.859 10.110) 12.568 3.642 ( -3.300 -62.993 7.589) 63.534 5.003 ( 5.035 -25.029 -6.430) 26.328 6.136 ( 29.345 -2.487 13.468) 32.384 6.765 ( -3.255 1.723 -14.153) 14.625 7.907 ( -0.229 0.622 -0.644) 0.925 10.416 ( 7.403 13.861 1.614) 15.797 15.360 ( -0.075 -18.059 1.238) 18.102 17.803 ( -0.734 4.978 0.804) 5.096 18.854 ( -1.351 -15.016 -1.539) 15.155 19.680 ( -4.547 21.939 0.798) 22.420 ======================= Grid point 938 (430/1062) ======================= q-point: ( 0.45 0.30 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -1.293 -0.016 -3.639) 3.862 3.382 ( -4.704 -16.236 10.189) 19.737 4.852 ( -1.759 -64.143 6.618) 64.508 5.530 ( 5.917 -31.044 -6.398) 32.244 6.409 ( 15.085 1.446 11.798) 19.206 6.715 ( 7.226 -4.790 -12.582) 15.280 7.884 ( -3.906 -0.501 -0.352) 3.954 10.177 ( 6.173 18.616 1.100) 19.644 15.713 ( -0.048 -19.429 0.601) 19.439 17.714 ( 0.151 4.784 1.039) 4.898 19.031 ( -1.975 2.354 -5.623) 6.408 19.239 ( -3.444 14.656 5.260) 15.948 ======================= Grid point 939 (431/1062) ======================= q-point: ( 0.50 0.30 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 0.675 -2.875 0.565) 3.007 3.813 ( -3.211 -29.557 7.885) 30.759 5.870 ( 0.765 -40.005 5.594) 40.402 6.163 ( 7.701 -27.983 -6.643) 29.774 6.470 ( -1.704 -13.437 -2.618) 13.795 6.940 ( 15.637 -9.513 1.619) 18.374 7.886 ( -6.667 -5.381 0.420) 8.578 9.850 ( 4.932 22.420 0.804) 22.970 16.043 ( 0.300 -15.591 -0.799) 15.614 17.651 ( 0.870 2.977 1.304) 3.364 18.568 ( -2.182 28.856 -2.698) 29.064 19.273 ( -1.890 -3.733 4.128) 5.878 ======================= Grid point 940 (432/1062) ======================= q-point: ( 0.55 0.30 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 2.353 -6.205 5.361) 8.531 4.466 ( -1.552 -39.604 6.481) 40.161 6.208 ( -1.098 4.340 -6.526) 7.913 6.459 ( 7.307 -20.837 -0.030) 22.081 6.949 ( 3.544 -14.953 -3.772) 15.824 7.423 ( 4.468 -34.670 5.663) 35.412 8.053 ( -4.959 -20.514 1.755) 21.177 9.448 ( 3.444 25.566 0.859) 25.811 16.211 ( 0.095 -1.110 -3.271) 3.455 17.637 ( 1.313 0.202 1.544) 2.037 18.088 ( -1.042 18.535 -0.458) 18.570 19.286 ( -1.129 3.523 5.066) 6.273 ======================= Grid point 941 (433/1062) ======================= q-point: ( 0.60 0.30 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 3.919 -8.995 8.916) 13.258 5.257 ( -0.280 -42.917 6.039) 43.341 6.061 ( -4.479 4.085 -9.326) 11.123 6.719 ( 12.063 1.035 -2.849) 12.438 7.189 ( -6.917 -18.577 1.365) 19.870 7.961 ( 5.135 -16.753 4.851) 18.182 8.653 ( -2.007 -41.397 1.303) 41.466 8.988 ( 1.700 25.858 1.455) 25.954 15.989 ( -0.795 22.155 -5.611) 22.868 17.660 ( 1.200 -0.761 0.140) 1.427 17.962 ( 0.298 -4.165 2.636) 4.938 19.181 ( -0.351 9.837 6.311) 11.693 ======================= Grid point 942 (434/1062) ======================= q-point: ( 0.65 0.30 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 5.581 -11.238 11.277) 16.871 5.749 ( -3.780 0.740 -9.557) 10.304 6.177 ( -2.921 -31.688 4.071) 32.081 6.704 ( 6.027 1.340 -1.893) 6.458 7.500 ( -3.747 -17.096 2.617) 17.697 8.243 ( 3.791 -4.852 2.600) 6.684 8.466 ( 0.091 23.191 1.383) 23.232 9.458 ( 0.117 -39.759 2.150) 39.817 15.433 ( -1.232 32.261 -5.811) 32.803 17.693 ( 0.573 -2.625 -2.287) 3.528 18.158 ( 0.575 -12.229 3.893) 12.846 19.006 ( 0.566 12.002 7.382) 14.102 ======================= Grid point 943 (435/1062) ======================= q-point: (-0.30 -0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( 7.400 -12.423 13.041) 19.472 5.544 ( -6.630 7.408 -12.354) 15.857 6.417 ( 0.939 3.678 -0.180) 3.800 7.082 ( -0.281 -32.364 5.800) 32.881 7.681 ( 0.177 8.979 -0.325) 8.987 7.913 ( -6.061 8.494 0.142) 10.435 8.527 ( 5.686 -6.770 4.139) 9.762 10.107 ( 0.643 -29.209 1.659) 29.263 14.818 ( -1.292 29.623 -4.620) 30.009 17.726 ( -0.237 -1.864 -3.802) 4.241 18.370 ( 0.046 -7.077 3.332) 7.822 18.872 ( 1.616 5.675 7.117) 9.245 ======================= Grid point 944 (436/1062) ======================= q-point: (-0.25 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( 9.082 -10.803 14.522) 20.250 5.307 ( -6.367 6.450 -10.156) 13.612 6.323 ( 0.932 5.791 -0.198) 5.869 7.163 ( -7.261 27.943 -7.833) 29.915 7.562 ( -3.231 -15.545 3.162) 16.189 8.051 ( 1.604 -10.817 5.963) 12.455 8.682 ( 4.373 -3.914 2.786) 6.497 10.526 ( 0.817 -14.976 0.712) 15.015 14.349 ( -1.241 17.480 -1.946) 17.631 17.712 ( -0.419 1.384 -2.563) 2.942 18.436 ( -0.193 -0.416 2.190) 2.238 18.903 ( 1.636 -3.280 3.147) 4.831 ======================= Grid point 945 (437/1062) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( 9.456 -3.163 15.053) 18.056 5.140 ( -3.283 3.810 -4.139) 6.514 6.233 ( 0.679 4.647 -0.730) 4.753 6.604 ( -9.855 18.405 -13.314) 24.762 7.624 ( -2.783 4.812 -2.084) 5.936 8.250 ( 2.822 -3.149 8.209) 9.234 8.758 ( 2.630 0.046 1.721) 3.144 10.657 ( 0.847 1.446 -0.895) 1.900 14.191 ( -1.237 -1.982 2.299) 3.278 17.661 ( 0.321 3.181 1.063) 3.369 18.446 ( -0.518 -0.518 -0.436) 0.852 18.989 ( 0.962 -4.445 -2.682) 5.280 ======================= Grid point 946 (438/1062) ======================= q-point: (-0.15 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.103 ( 8.895 8.038 15.030) 19.226 5.019 ( -2.708 9.108 -0.152) 9.504 6.171 ( -0.337 -2.437 -6.693) 7.131 6.305 ( -4.854 2.099 -9.901) 11.225 7.355 ( -0.893 20.274 -6.795) 21.401 8.276 ( 1.868 5.620 8.683) 10.510 8.725 ( 1.611 6.001 0.857) 6.272 10.482 ( 0.901 17.237 -2.459) 17.435 14.418 ( -1.456 -20.625 6.721) 21.742 17.623 ( 1.052 2.684 3.701) 4.691 18.417 ( -0.427 3.595 -1.869) 4.074 19.069 ( -0.065 -7.792 -9.207) 12.062 ======================= Grid point 947 (439/1062) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.037 ( 11.364 15.544 18.645) 26.803 4.726 ( -9.284 13.302 -9.451) 18.774 6.221 ( 2.600 4.641 0.855) 5.388 6.340 ( 2.817 -11.554 -9.313) 15.105 6.874 ( 0.548 22.113 -9.941) 24.251 8.187 ( 0.411 8.715 7.511) 11.512 8.584 ( 2.200 10.739 0.293) 10.966 10.040 ( 0.965 29.974 -3.019) 30.141 14.928 ( -1.929 -30.845 9.746) 32.405 17.614 ( 1.303 1.187 3.516) 3.933 18.274 ( 0.263 10.525 -2.955) 10.935 19.205 ( -1.314 -13.454 -13.235) 18.918 ======================= Grid point 948 (440/1062) ======================= q-point: (-0.05 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.893 ( 12.016 20.923 20.690) 31.784 4.392 ( -8.877 7.131 -15.448) 19.192 5.869 ( 2.921 37.869 -2.477) 38.062 6.347 ( 1.681 -0.466 -8.523) 8.700 6.881 ( 8.160 -12.422 -0.466) 14.870 8.055 ( -0.374 7.864 3.984) 8.823 8.403 ( 4.044 10.771 -0.104) 11.505 9.399 ( 0.799 39.032 -2.181) 39.101 15.540 ( -2.340 -30.820 10.929) 32.784 17.638 ( 1.208 -1.750 0.955) 2.331 18.041 ( 0.719 12.278 -3.867) 12.893 19.397 ( -2.346 -15.478 -13.994) 20.998 ======================= Grid point 956 (441/1062) ======================= q-point: ( 0.35 0.35 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -4.496 0.000 12.947) 13.705 2.503 ( -4.451 0.000 1.627) 4.739 3.266 ( -6.445 0.000 8.544) 10.703 4.494 ( 5.426 -0.000 -7.582) 9.324 6.086 ( 31.092 -0.000 12.124) 33.373 6.824 ( -5.468 0.000 -14.245) 15.258 7.933 ( 1.926 -0.000 -0.122) 1.930 10.684 ( 6.606 -0.000 1.921) 6.880 14.976 ( 0.760 -0.000 1.253) 1.466 17.914 ( -1.806 0.000 1.409) 2.290 18.493 ( 1.071 -0.000 -1.200) 1.608 20.103 ( -5.365 0.000 0.308) 5.374 ======================= Grid point 957 (442/1062) ======================= q-point: ( 0.40 0.35 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -2.739 -16.295 4.213) 17.053 2.549 ( -3.342 -33.871 6.622) 34.674 3.231 ( -7.346 1.648 10.272) 12.736 4.639 ( 5.083 -14.805 -6.914) 17.112 6.386 ( 28.435 -1.486 11.595) 30.744 6.699 ( -4.482 1.691 -14.676) 15.437 7.930 ( 0.304 1.494 0.441) 1.587 10.668 ( 4.942 7.421 1.515) 9.043 15.093 ( 0.314 -11.105 1.501) 11.210 17.879 ( -1.142 3.145 1.724) 3.764 18.597 ( 0.243 -10.606 -1.485) 10.712 19.954 ( -4.728 11.671 -0.612) 12.607 ======================= Grid point 958 (443/1062) ======================= q-point: ( 0.45 0.35 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 0.574 0.724 0.961) 1.333 3.204 ( -6.456 -5.187 10.976) 13.750 3.656 ( -3.729 -64.926 6.984) 65.407 5.023 ( 4.749 -25.432 -5.646) 26.480 6.549 ( -3.524 3.796 -7.379) 9.015 6.704 ( 25.174 -4.785 3.599) 25.877 7.885 ( -2.620 2.760 0.791) 3.887 10.514 ( 3.759 13.439 0.648) 13.970 15.370 ( -0.135 -17.640 1.284) 17.687 17.809 ( -0.292 4.595 2.019) 5.027 18.825 ( -0.629 -13.828 -1.377) 13.910 19.615 ( -3.824 20.751 -0.632) 21.110 ======================= Grid point 959 (444/1062) ======================= q-point: ( 0.50 0.35 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 3.207 -0.001 3.777) 4.954 3.393 ( -5.960 -16.913 9.882) 20.475 4.873 ( -2.928 -65.039 5.686) 65.353 5.564 ( 5.480 -32.188 -5.207) 33.064 6.405 ( -5.047 3.217 -10.867) 12.406 7.010 ( 23.059 -4.668 6.091) 24.303 7.808 ( -6.526 1.663 1.483) 6.896 10.251 ( 2.714 18.074 -0.074) 18.277 15.716 ( -0.038 -19.166 0.330) 19.169 17.735 ( 0.501 4.470 2.227) 5.020 18.960 ( -0.863 7.572 -4.749) 8.980 19.235 ( -2.668 8.401 4.330) 9.821 ======================= Grid point 960 (445/1062) ======================= q-point: ( 0.55 0.35 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 4.813 -2.953 8.472) 10.181 3.831 ( -4.086 -30.582 7.936) 31.858 5.904 ( -2.164 -43.543 4.299) 43.808 6.187 ( 2.994 -9.807 -11.042) 15.069 6.343 ( -2.690 -32.148 -6.736) 32.956 7.256 ( 16.062 -2.021 6.001) 17.265 7.791 ( -7.028 -6.670 3.348) 10.251 9.902 ( 1.539 21.842 -0.288) 21.898 16.038 ( 0.287 -14.880 -1.318) 14.941 17.683 ( 1.132 2.789 2.309) 3.794 18.513 ( -1.362 27.334 -3.033) 27.535 19.297 ( -0.726 -3.985 5.337) 6.700 ======================= Grid point 961 (446/1062) ======================= q-point: ( 0.60 0.35 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 5.810 -5.928 12.232) 14.782 4.501 ( -2.147 -40.884 7.203) 41.569 6.043 ( -6.837 4.384 -13.878) 16.080 6.545 ( 2.949 -27.694 1.282) 27.880 6.932 ( 1.700 -11.213 -6.415) 13.030 7.596 ( 5.477 -29.987 9.837) 32.031 8.016 ( -2.120 -20.624 3.253) 20.986 9.478 ( 0.056 25.202 -0.086) 25.202 16.178 ( 0.140 0.817 -4.006) 4.091 17.676 ( 1.482 0.468 2.037) 2.562 18.071 ( -0.709 16.229 -0.233) 16.246 19.333 ( 0.184 3.143 6.474) 7.198 ======================= Grid point 962 (447/1062) ======================= q-point: (-0.35 -0.65 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 6.852 -8.657 14.328) 18.088 5.311 ( -0.585 -42.858 7.024) 43.434 5.834 ( -9.639 2.653 -14.791) 17.853 6.826 ( 5.732 5.240 -4.553) 9.002 7.108 ( -4.661 -22.818 2.445) 23.417 8.125 ( 7.080 -14.060 7.882) 17.605 8.629 ( -2.602 -40.181 1.280) 40.285 8.999 ( -1.333 23.026 0.595) 23.072 15.923 ( -0.502 23.249 -6.243) 24.078 17.679 ( 1.145 0.961 0.095) 1.498 17.992 ( 0.071 -6.012 3.075) 6.753 19.252 ( 0.989 9.463 7.572) 12.160 ======================= Grid point 963 (448/1062) ======================= q-point: (-0.30 -0.65 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 8.219 -11.164 15.432) 20.745 5.528 ( -9.331 5.360 -15.204) 18.627 6.182 ( -2.594 -36.156 5.974) 36.738 6.735 ( 0.699 -0.114 -1.457) 1.620 7.497 ( -0.097 -18.940 2.222) 19.070 8.307 ( 0.052 19.206 2.650) 19.389 8.480 ( 0.737 2.614 1.910) 3.320 9.480 ( -0.059 -40.093 2.388) 40.164 15.359 ( -0.853 32.117 -6.284) 32.737 17.680 ( 0.236 -0.833 -1.900) 2.088 18.199 ( 0.135 -12.152 3.630) 12.684 19.099 ( 1.876 11.682 8.218) 14.405 ======================= Grid point 964 (449/1062) ======================= q-point: (-0.25 -0.65 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( 9.819 -12.616 16.255) 22.799 5.272 ( -10.906 4.869 -15.881) 19.871 6.418 ( -0.601 3.133 -0.141) 3.194 7.116 ( -2.280 -31.106 6.582) 31.876 7.677 ( -1.902 30.805 -1.561) 30.903 7.840 ( -2.774 -11.565 1.928) 12.048 8.637 ( 3.926 -6.313 3.106) 8.057 10.131 ( 0.407 -29.165 1.831) 29.225 14.755 ( -0.961 28.690 -4.892) 29.120 17.685 ( -0.649 -1.059 -3.437) 3.654 18.401 ( -0.212 -6.776 3.498) 7.628 18.971 ( 2.553 7.012 6.940) 10.190 ======================= Grid point 965 (450/1062) ======================= q-point: (-0.20 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.032 ( 10.624 -10.167 16.673) 22.231 5.069 ( -9.387 -0.144 -13.903) 16.776 6.330 ( 0.011 4.883 0.091) 4.884 6.987 ( -7.413 33.793 -4.883) 34.940 7.542 ( -3.306 -12.381 3.972) 13.416 8.127 ( 1.813 -14.310 4.104) 14.997 8.760 ( 2.916 -2.934 1.526) 4.409 10.544 ( 0.614 -14.427 0.663) 14.455 14.312 ( -1.030 15.696 -1.973) 15.853 17.677 ( -0.699 -0.488 -2.966) 3.086 18.462 ( -0.180 0.813 3.874) 3.963 18.955 ( 2.020 0.100 1.897) 2.773 ======================= Grid point 966 (451/1062) ======================= q-point: (-0.15 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.280 ( 6.917 -0.607 12.666) 14.444 5.042 ( -2.818 -6.119 -5.494) 8.693 6.237 ( 0.143 9.369 0.109) 9.371 6.365 ( -6.723 17.966 -8.654) 21.044 7.574 ( -1.854 6.419 -0.680) 6.716 8.344 ( 0.929 -4.330 5.682) 7.204 8.801 ( 1.825 0.989 0.048) 2.077 10.661 ( 0.761 2.196 -1.062) 2.555 14.194 ( -1.237 -4.178 2.300) 4.928 17.671 ( 0.213 0.088 0.105) 0.253 18.445 ( -0.448 1.769 1.976) 2.690 18.972 ( 0.985 -0.791 -4.037) 4.230 ======================= Grid point 967 (452/1062) ======================= q-point: (-0.10 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.321 ( 3.886 3.584 7.345) 9.050 4.971 ( -3.558 16.180 1.038) 16.599 6.078 ( 2.473 -8.097 -8.388) 11.918 6.260 ( 1.393 0.197 -0.102) 1.410 7.291 ( -0.108 21.853 -5.057) 22.430 8.356 ( -0.580 5.257 6.149) 8.111 8.748 ( 1.413 5.856 -1.082) 6.120 10.473 ( 0.964 17.675 -2.440) 17.869 14.455 ( -1.713 -22.286 6.310) 23.225 17.674 ( 1.144 1.282 3.318) 3.737 18.399 ( -0.357 4.231 -0.609) 4.289 18.977 ( -0.364 -4.052 -9.527) 10.360 ======================= Grid point 968 (453/1062) ======================= q-point: (-0.05 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.324 ( 2.853 1.685 1.410) 3.601 4.508 ( -3.792 26.611 2.600) 27.006 6.229 ( 1.365 -1.354 -2.548) 3.192 6.423 ( 10.955 -5.313 -0.123) 12.176 6.812 ( 2.210 17.554 -7.361) 19.162 8.233 ( -2.026 9.340 5.175) 10.869 8.613 ( 2.117 9.277 -1.686) 9.664 10.029 ( 1.113 29.985 -2.704) 30.127 14.982 ( -2.354 -31.769 8.770) 33.042 17.669 ( 1.456 2.044 3.571) 4.365 18.253 ( 0.558 10.886 -2.862) 11.270 19.060 ( -1.961 -11.669 -12.040) 16.881 ======================= Grid point 977 (454/1062) ======================= q-point: ( 0.40 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -5.523 0.000 11.405) 12.672 2.484 ( -0.705 0.000 4.234) 4.292 3.245 ( -8.200 0.000 10.669) 13.456 4.505 ( 5.184 -0.000 -7.565) 9.171 6.587 ( 8.820 -0.000 -15.366) 17.717 6.659 ( 12.389 -0.000 11.033) 16.589 7.953 ( -0.120 0.000 1.604) 1.609 10.773 ( 2.893 -0.000 1.182) 3.125 14.999 ( 0.414 -0.000 1.733) 1.781 17.909 ( -1.145 0.000 2.240) 2.516 18.492 ( 0.819 -0.000 -2.022) 2.181 20.020 ( -4.401 0.000 -1.760) 4.740 ======================= Grid point 978 (455/1062) ======================= q-point: ( 0.45 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -0.970 -17.739 6.714) 18.991 2.576 ( -2.037 -32.348 8.340) 33.468 3.205 ( -8.774 1.511 10.433) 13.715 4.653 ( 4.796 -15.147 -6.685) 17.237 6.491 ( -3.094 1.080 -16.874) 17.189 6.887 ( 21.464 -1.322 11.701) 24.482 7.931 ( -1.681 2.820 2.200) 3.952 10.727 ( 1.620 7.180 0.352) 7.369 15.111 ( 0.018 -10.682 1.807) 10.833 17.886 ( -0.586 2.779 2.639) 3.876 18.586 ( 0.330 -10.101 -1.931) 10.289 19.874 ( -3.647 11.172 -2.448) 12.004 ======================= Grid point 979 (456/1062) ======================= q-point: ( 0.50 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 4.559 0.709 7.670) 8.951 3.190 ( -8.078 -5.293 9.884) 13.819 3.656 ( -4.447 -65.857 6.641) 66.340 5.044 ( 4.459 -26.032 -5.151) 26.909 6.355 ( -4.197 2.302 -15.676) 16.391 7.140 ( 19.400 -3.536 9.389) 21.841 7.843 ( -4.544 5.260 2.379) 7.346 10.548 ( 0.797 13.094 -0.600) 13.132 15.379 ( -0.283 -17.212 1.282) 17.262 17.831 ( 0.141 4.223 2.940) 5.148 18.810 ( 0.204 -13.501 -1.011) 13.541 19.551 ( -2.803 19.469 -2.117) 19.784 ======================= Grid point 980 (457/1062) ======================= q-point: ( 0.55 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 6.474 -0.375 10.555) 12.387 3.380 ( -7.171 -18.177 8.959) 21.496 4.868 ( -4.311 -64.996 5.237) 65.349 5.602 ( 5.122 -33.434 -4.509) 34.123 6.195 ( -5.561 3.160 -15.185) 16.477 7.393 ( 17.792 -2.956 6.474) 19.163 7.712 ( -8.796 3.262 3.670) 10.074 10.264 ( -0.074 17.673 -1.116) 17.708 15.717 ( -0.120 -18.835 0.142) 18.836 17.770 ( 0.837 4.202 3.011) 5.237 18.914 ( 0.052 12.031 -3.842) 12.629 19.240 ( -1.248 2.350 3.382) 4.303 ======================= Grid point 981 (458/1062) ======================= q-point: (-0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 6.940 -3.105 14.011) 15.941 3.834 ( -4.888 -32.323 7.572) 33.556 5.858 ( -8.944 -35.324 -0.363) 36.441 6.036 ( -1.992 -5.941 -11.785) 13.347 6.340 ( 5.730 -44.499 -4.520) 45.093 7.455 ( 1.439 4.332 3.421) 5.704 7.783 ( 1.629 -10.982 6.941) 13.093 9.897 ( -1.193 21.484 -0.986) 21.540 16.028 ( 0.187 -14.059 -1.532) 14.143 17.727 ( 1.349 2.730 2.816) 4.148 18.469 ( -0.683 26.208 -2.945) 26.382 19.351 ( 0.960 -4.736 5.867) 7.601 ======================= Grid point 982 (459/1062) ======================= q-point: (-0.35 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( 7.100 -5.964 15.912) 18.417 4.532 ( -2.801 -42.741 7.427) 43.472 5.755 ( -11.205 4.416 -16.372) 20.324 6.580 ( -0.304 -30.945 1.999) 31.011 6.906 ( 2.961 -5.541 -6.583) 9.100 7.710 ( -1.999 -37.764 7.966) 38.647 8.066 ( 3.297 -14.255 4.505) 15.309 9.454 ( -2.559 25.113 -0.431) 25.247 16.142 ( 0.115 2.668 -4.076) 4.873 17.719 ( 1.575 1.099 1.873) 2.683 18.061 ( -0.535 14.102 0.087) 14.113 19.413 ( 1.907 2.776 7.195) 7.944 ======================= Grid point 983 (460/1062) ======================= q-point: (-0.30 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 7.726 -9.030 16.355) 20.216 5.370 ( -0.739 -40.774 7.432) 41.452 5.499 ( -13.967 -0.317 -16.502) 21.621 6.818 ( -0.937 6.913 -3.325) 7.728 7.100 ( 0.437 -25.138 1.559) 25.190 8.295 ( 5.251 -12.076 6.283) 14.591 8.596 ( -3.410 -37.262 1.998) 37.471 8.966 ( -3.108 18.769 0.241) 19.026 15.858 ( -0.309 24.268 -6.046) 25.012 17.696 ( 1.027 2.533 -0.150) 2.738 18.020 ( -0.270 -7.221 3.074) 7.852 19.353 ( 2.629 9.216 8.035) 12.506 ======================= Grid point 984 (461/1062) ======================= q-point: (-0.25 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( 8.891 -12.124 16.195) 22.098 5.195 ( -13.370 5.872 -16.665) 22.157 6.200 ( -2.628 -34.914 6.225) 35.562 6.722 ( -0.886 -3.283 -0.017) 3.401 7.519 ( 0.329 -19.848 1.251) 19.890 8.276 ( -5.432 33.207 0.768) 33.657 8.536 ( 2.741 -9.079 2.784) 9.884 9.500 ( -0.318 -40.561 2.316) 40.628 15.290 ( -0.572 32.066 -6.001) 32.627 17.665 ( -0.106 0.929 -1.563) 1.821 18.229 ( -0.320 -12.105 3.118) 12.504 19.216 ( 3.319 11.737 8.120) 14.653 ======================= Grid point 985 (462/1062) ======================= q-point: (-0.20 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( 10.452 -13.957 16.357) 23.908 4.923 ( -13.474 3.175 -16.799) 21.768 6.398 ( -1.570 2.425 -0.387) 2.915 7.146 ( -2.060 -29.950 7.383) 30.915 7.576 ( -8.964 34.975 0.466) 36.108 7.866 ( 2.931 -14.949 0.618) 15.246 8.703 ( 1.844 -6.165 1.106) 6.530 10.152 ( 0.122 -29.131 1.681) 29.180 14.698 ( -0.697 27.869 -4.538) 28.245 17.642 ( -0.996 -0.141 -2.926) 3.094 18.428 ( -0.485 -7.243 3.287) 7.968 19.080 ( 3.550 9.130 6.139) 11.561 ======================= Grid point 986 (463/1062) ======================= q-point: (-0.15 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.350 ( 9.323 -6.348 16.132) 19.684 4.770 ( -9.810 -8.831 -16.234) 20.923 6.324 ( -0.636 3.357 -0.370) 3.437 6.848 ( -7.177 36.278 -0.032) 36.981 7.540 ( -2.262 -10.243 5.030) 11.634 8.178 ( 1.000 -15.357 1.948) 15.512 8.797 ( 1.172 -2.699 -0.580) 2.999 10.556 ( 0.381 -13.950 0.367) 13.960 14.280 ( -0.867 14.107 -1.620) 14.227 17.636 ( -0.981 -1.814 -2.927) 3.580 18.500 ( -0.254 0.730 4.608) 4.672 19.003 ( 2.601 4.247 0.756) 5.037 ======================= Grid point 987 (464/1062) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.400 ( -1.602 3.278 1.518) 3.952 4.987 ( 1.326 -13.878 -2.014) 14.085 6.219 ( -2.253 23.943 -0.418) 24.052 6.279 ( 0.999 1.929 1.142) 2.454 7.555 ( -0.819 8.006 0.872) 8.095 8.385 ( -1.001 -4.816 3.224) 5.881 8.812 ( 0.772 1.187 -2.097) 2.530 10.661 ( 0.654 2.723 -1.271) 3.075 14.196 ( -1.271 -5.970 2.260) 6.509 17.669 ( -0.085 -3.024 -0.750) 3.117 18.469 ( -0.281 3.929 4.095) 5.682 18.946 ( 1.221 2.918 -5.130) 6.027 ======================= Grid point 988 (465/1062) ======================= q-point: (-0.05 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.319 ( -4.767 2.540 -6.477) 8.433 4.961 ( -0.717 16.493 5.347) 17.353 6.124 ( 6.732 -7.875 -0.765) 10.389 6.322 ( 6.038 -5.871 3.204) 9.010 7.258 ( 0.668 23.511 -2.983) 23.709 8.376 ( -2.791 5.085 3.845) 6.959 8.746 ( 0.794 5.250 -3.238) 6.219 10.466 ( 0.993 17.848 -2.283) 18.020 14.481 ( -1.953 -23.501 5.430) 24.199 17.718 ( 1.006 -0.853 2.403) 2.741 18.397 ( -0.199 5.691 1.139) 5.807 18.882 ( -0.345 -0.591 -9.258) 9.284 ======================= Grid point 998 (466/1062) ======================= q-point: ( 0.45 0.45 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -6.856 0.000 10.293) 12.368 2.571 ( 2.802 -0.000 10.563) 10.928 3.203 ( -9.317 0.000 9.282) 13.151 4.513 ( 4.860 -0.000 -7.531) 8.963 6.399 ( -2.684 0.000 -17.242) 17.449 7.080 ( 17.138 -0.000 11.450) 20.611 7.961 ( -1.732 0.000 3.367) 3.787 10.800 ( 0.252 -0.000 -0.046) 0.256 15.020 ( -0.016 0.000 2.122) 2.123 17.920 ( -0.512 0.000 3.017) 3.060 18.480 ( 0.513 -0.000 -2.686) 2.735 19.936 ( -3.099 0.000 -3.528) 4.695 ======================= Grid point 999 (467/1062) ======================= q-point: ( 0.50 0.45 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -4.767 -41.200 8.076) 42.254 2.678 ( 2.848 -9.408 12.732) 16.085 3.150 ( -9.532 1.223 8.085) 12.559 4.663 ( 4.462 -15.640 -6.567) 17.539 6.284 ( -3.336 1.437 -16.687) 17.078 7.265 ( 13.400 -1.864 10.207) 16.947 7.923 ( -2.644 4.299 3.572) 6.184 10.732 ( -0.359 7.116 -0.672) 7.157 15.127 ( -0.341 -10.286 2.018) 10.488 17.909 ( -0.043 2.478 3.367) 4.180 18.572 ( 0.445 -10.500 -2.128) 10.723 19.797 ( -2.325 10.736 -4.003) 11.691 ======================= Grid point 1000 (468/1062) ======================= q-point: (-0.45 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 5.659 -0.216 13.032) 14.209 3.138 ( -9.042 -6.087 7.460) 13.208 3.642 ( -5.344 -65.961 6.658) 66.511 5.064 ( 4.162 -26.792 -5.021) 27.574 6.136 ( -4.753 2.884 -16.034) 16.970 7.458 ( 9.645 -4.766 8.622) 13.787 7.797 ( -3.871 8.226 2.827) 9.520 10.536 ( -0.909 13.135 -1.223) 13.223 15.385 ( -0.495 -16.809 1.261) 16.863 17.867 ( 0.564 3.918 3.477) 5.269 18.815 ( 1.251 -14.135 -0.202) 14.191 19.490 ( -1.600 18.247 -3.545) 18.656 ======================= Grid point 1001 (469/1062) ======================= q-point: (-0.40 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 6.530 -1.152 14.408) 15.861 3.338 ( -7.979 -20.081 7.183) 22.770 4.837 ( -5.975 -63.781 5.067) 64.260 5.637 ( 4.804 -34.629 -4.810) 35.290 5.960 ( -6.070 3.318 -14.834) 16.368 7.600 ( -8.421 8.286 3.384) 12.289 7.675 ( 9.380 -6.418 5.647) 12.691 10.236 ( -1.824 17.723 -1.302) 17.864 15.715 ( -0.282 -18.499 0.074) 18.501 17.816 ( 1.143 4.011 3.323) 5.333 18.888 ( 0.658 16.547 -2.982) 16.827 19.265 ( 0.948 -4.089 2.711) 4.997 ======================= Grid point 1002 (470/1062) ======================= q-point: (-0.35 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 5.976 -3.708 15.733) 17.233 3.819 ( -5.555 -34.631 6.333) 35.641 5.609 ( -13.716 -10.000 -9.466) 19.435 5.974 ( -0.139 -30.541 -2.055) 30.611 6.392 ( 6.081 -44.180 -4.571) 44.831 7.414 ( -8.167 3.641 3.934) 9.769 7.910 ( 4.529 -10.165 4.527) 12.014 9.854 ( -2.974 21.501 -0.727) 21.718 16.015 ( 0.005 -13.271 -1.435) 13.349 17.776 ( 1.495 2.868 2.827) 4.296 18.436 ( -0.209 25.453 -2.683) 25.595 19.439 ( 3.224 -5.641 6.006) 8.848 ======================= Grid point 1003 (471/1062) ======================= q-point: (-0.30 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( 5.710 -6.850 15.400) 17.796 4.544 ( -4.275 -44.773 5.852) 45.356 5.418 ( -12.794 5.261 -13.424) 19.276 6.580 ( -1.916 -30.292 2.142) 30.428 6.898 ( 3.502 -2.517 -6.251) 7.594 7.714 ( -5.016 -44.656 6.402) 45.391 8.149 ( 1.719 -11.412 2.385) 11.785 9.400 ( -3.999 25.200 0.299) 25.517 16.107 ( 0.022 4.278 -3.601) 5.592 17.758 ( 1.565 2.090 1.258) 2.898 18.055 ( -0.506 12.266 0.370) 12.282 19.527 ( 4.011 2.621 7.243) 8.684 ======================= Grid point 1004 (472/1062) ======================= q-point: (-0.25 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( 5.884 -10.573 13.672) 18.257 5.111 ( -15.557 1.832 -14.765) 21.526 5.433 ( -1.071 -42.933 8.566) 43.792 6.765 ( -2.062 4.977 -2.069) 5.771 7.124 ( 0.825 -23.744 0.606) 23.766 8.361 ( -1.626 -10.298 -0.488) 10.437 8.583 ( -2.026 -35.304 5.521) 35.790 8.919 ( -3.101 14.370 0.664) 14.716 15.801 ( -0.203 25.182 -5.207) 25.716 17.708 ( 0.832 3.861 -0.449) 3.975 18.040 ( -0.646 -7.852 2.701) 8.328 19.482 ( 4.463 9.254 7.632) 12.799 ======================= Grid point 1005 (473/1062) ======================= q-point: (-0.20 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.836 ( 5.987 -14.847 10.573) 19.185 4.841 ( -13.051 6.251 -11.434) 18.443 6.210 ( -3.217 -30.644 5.177) 31.244 6.719 ( -0.178 -8.047 1.332) 8.158 7.518 ( -2.146 -18.492 0.997) 18.643 8.177 ( -6.955 28.607 -0.258) 29.441 8.593 ( 1.437 -5.539 1.709) 5.972 9.513 ( -0.573 -41.116 1.979) 41.168 15.231 ( -0.367 32.096 -5.062) 32.495 17.647 ( -0.418 2.532 -1.330) 2.890 18.247 ( -0.745 -12.163 2.485) 12.437 19.352 ( 4.776 12.244 7.112) 14.943 ======================= Grid point 1006 (474/1062) ======================= q-point: (-0.15 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.230 ( 4.420 -19.718 3.988) 20.597 4.598 ( -8.840 6.106 -5.512) 12.075 6.364 ( -2.049 1.518 -0.947) 2.720 7.187 ( -1.996 -27.923 7.436) 28.965 7.438 ( -10.495 29.536 3.644) 31.556 7.913 ( 3.042 -11.522 -1.109) 11.968 8.714 ( -0.253 -6.040 -1.259) 6.175 10.166 ( -0.149 -29.103 1.235) 29.129 14.650 ( -0.490 27.215 -3.592) 27.455 17.600 ( -1.231 0.727 -2.374) 2.771 18.446 ( -0.797 -8.061 2.751) 8.554 19.195 ( 4.542 11.569 4.814) 13.328 ======================= Grid point 1007 (475/1062) ======================= q-point: (-0.10 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.396 ( -10.644 -0.869 -13.096) 16.899 4.685 ( 8.272 -16.566 9.537) 20.828 6.301 ( -1.133 2.494 -1.685) 3.216 6.775 ( -5.701 32.920 6.365) 34.011 7.566 ( -1.040 -8.343 5.769) 10.197 8.192 ( -0.324 -15.204 -0.224) 15.209 8.786 ( -0.482 -3.000 -2.923) 4.216 10.562 ( 0.172 -13.603 -0.104) 13.604 14.256 ( -0.754 12.873 -0.905) 12.927 17.593 ( -1.182 -2.629 -2.493) 3.811 18.537 ( -0.488 -0.518 4.273) 4.332 19.052 ( 3.325 8.801 -0.114) 9.408 ======================= Grid point 1008 (476/1062) ======================= q-point: (-0.05 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.276 ( -7.456 0.952 -9.645) 12.227 5.025 ( 2.383 -9.201 1.683) 9.652 6.204 ( 0.272 7.839 -0.340) 7.852 6.377 ( 4.863 8.727 10.192) 14.272 7.564 ( 0.108 9.410 2.220) 9.669 8.375 ( -2.783 -4.885 1.025) 5.715 8.785 ( -0.337 0.836 -4.314) 4.408 10.657 ( 0.568 2.962 -1.442) 3.343 14.196 ( -1.324 -7.159 2.196) 7.604 17.656 ( -0.426 -5.525 -1.092) 5.648 18.510 ( -0.174 4.990 5.102) 7.139 18.917 ( 1.640 6.739 -5.615) 8.924 ======================= Grid point 1019 (477/1062) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -8.442 0.000 9.652) 12.823 2.748 ( 2.087 -0.000 17.166) 17.292 3.129 ( -8.520 0.000 4.760) 9.760 4.515 ( 4.497 -0.000 -7.476) 8.724 6.196 ( -3.314 0.000 -16.031) 16.370 7.376 ( 7.905 -0.000 9.454) 12.324 7.968 ( -1.914 0.000 4.381) 4.781 10.792 ( -0.513 0.000 -0.488) 0.708 15.038 ( -0.485 0.000 2.387) 2.436 17.949 ( 0.103 -0.000 3.703) 3.704 18.458 ( 0.181 -0.000 -3.129) 3.135 19.859 ( -1.681 0.000 -4.876) 5.158 ======================= Grid point 1020 (478/1062) ======================= q-point: (-0.45 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -7.279 -47.869 7.577) 49.009 2.862 ( -1.429 -4.397 20.074) 20.599 3.067 ( -5.725 1.215 1.374) 6.012 4.668 ( 4.120 -16.172 -6.602) 17.947 6.076 ( -4.276 2.122 -14.893) 15.640 7.479 ( 2.621 -2.216 8.254) 8.939 7.924 ( -1.484 5.384 3.476) 6.578 10.717 ( -0.437 7.588 -0.357) 7.609 15.138 ( -0.727 -9.936 2.124) 10.187 17.947 ( 0.491 2.339 3.809) 4.497 18.562 ( 0.699 -12.032 -1.927) 12.205 19.728 ( -1.007 10.430 -5.169) 11.685 ======================= Grid point 1021 (479/1062) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -3.034 -4.441 18.169) 18.948 3.060 ( -3.967 -5.753 0.813) 7.035 3.618 ( -5.998 -64.759 7.250) 65.439 5.077 ( 3.804 -27.516 -5.535) 28.324 5.914 ( -5.758 3.840 -13.197) 14.902 7.566 ( -5.319 -3.101 7.857) 9.982 7.802 ( 2.004 7.358 0.395) 7.637 10.509 ( -1.200 14.084 -0.404) 14.141 15.387 ( -0.754 -16.461 1.240) 16.525 17.912 ( 0.969 3.726 3.556) 5.240 18.849 ( 2.695 -15.738 1.226) 16.014 19.435 ( -0.395 17.104 -4.854) 17.784 ======================= Grid point 1022 (480/1062) ======================= q-point: (-0.35 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 0.611 -3.488 15.880) 16.270 3.269 ( -6.403 -21.607 2.777) 22.707 4.778 ( -7.626 -60.391 5.152) 61.088 5.631 ( 1.671 -26.900 -11.586) 29.336 5.772 ( -3.225 -6.929 -4.260) 8.750 7.488 ( -10.153 7.026 4.782) 13.241 7.807 ( 3.261 -5.023 0.195) 5.992 10.192 ( -2.636 18.522 -0.239) 18.710 15.710 ( -0.520 -18.217 0.144) 18.225 17.866 ( 1.416 3.925 3.179) 5.246 18.876 ( 0.877 20.891 -2.329) 21.038 19.326 ( 3.981 -10.386 2.535) 11.408 ======================= Grid point 1023 (481/1062) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 1.613 -5.341 13.213) 14.343 3.771 ( -6.799 -36.726 3.045) 37.474 5.319 ( -12.811 -3.588 -5.982) 14.586 5.961 ( -0.774 -35.925 0.468) 35.936 6.440 ( 5.580 -44.009 -4.607) 44.600 7.315 ( -9.333 2.360 4.518) 10.635 7.961 ( -1.011 -10.022 -0.345) 10.078 9.798 ( -3.986 21.839 0.534) 22.206 16.001 ( -0.252 -12.629 -1.068) 12.677 17.825 ( 1.579 3.245 2.442) 4.358 18.412 ( 0.063 24.996 -2.353) 25.106 19.566 ( 5.957 -6.267 5.780) 10.401 ======================= Grid point 1024 (482/1062) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.408 ( 1.031 -8.618 9.444) 12.827 4.475 ( -8.934 -42.946 -0.384) 43.868 5.172 ( -7.778 2.581 -1.130) 8.273 6.568 ( -2.075 -28.004 2.166) 28.164 6.889 ( 2.573 -1.846 -6.163) 6.929 7.692 ( -4.965 -48.454 5.727) 49.043 8.137 ( -3.791 -11.683 -1.953) 12.437 9.342 ( -4.613 24.923 1.735) 25.406 16.076 ( -0.133 5.539 -2.735) 6.179 17.790 ( 1.466 3.336 0.466) 3.674 18.051 ( -0.562 10.828 0.535) 10.856 19.673 ( 6.301 2.890 6.532) 9.525 ======================= Grid point 1025 (483/1062) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.633 ( -1.015 -12.652 2.947) 13.030 4.789 ( -11.881 -1.468 -4.883) 12.929 5.499 ( -0.974 -39.389 8.957) 40.406 6.723 ( -0.906 3.419 -1.947) 4.038 7.127 ( -1.243 -22.609 0.494) 22.649 8.255 ( -7.729 -8.164 -4.177) 11.994 8.617 ( -1.252 -38.296 5.554) 38.717 8.883 ( -2.904 13.141 1.127) 13.505 15.756 ( -0.157 25.929 -3.901) 26.222 17.713 ( 0.584 4.971 -0.729) 5.058 18.050 ( -0.977 -8.065 2.109) 8.393 19.632 ( 6.266 9.693 6.310) 13.154 ======================= Grid point 1026 (484/1062) ======================= q-point: (-0.15 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( -5.792 -16.450 -7.819) 19.113 4.677 ( -2.822 4.655 6.627) 8.576 6.194 ( -3.925 -25.311 3.356) 25.832 6.743 ( 1.094 -13.097 2.039) 13.300 7.465 ( -6.370 -14.275 1.720) 15.726 8.072 ( -5.617 19.119 -0.665) 19.938 8.603 ( -1.182 -1.635 -0.355) 2.048 9.519 ( -0.739 -41.590 1.449) 41.622 15.185 ( -0.213 32.166 -3.588) 32.366 17.627 ( -0.650 3.882 -1.184) 4.110 18.253 ( -1.109 -12.299 1.806) 12.480 19.495 ( 6.061 13.139 5.253) 15.393 ======================= Grid point 1027 (485/1062) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.035 ( -11.412 -15.225 -17.988) 26.184 4.696 ( 6.010 -0.423 15.327) 16.469 6.316 ( -2.374 0.507 -1.868) 3.063 7.202 ( -5.501 -11.632 6.802) 14.554 7.350 ( -6.169 8.110 7.037) 12.384 7.934 ( 1.673 -8.666 -2.301) 9.121 8.672 ( -2.154 -6.200 -3.604) 7.488 10.171 ( -0.342 -29.070 0.576) 29.077 14.617 ( -0.335 26.766 -2.133) 26.853 17.560 ( -1.317 1.422 -1.811) 2.653 18.454 ( -1.106 -8.893 2.008) 9.184 19.309 ( 5.366 13.920 2.981) 15.214 ======================= Grid point 1028 (486/1062) ======================= q-point: (-0.05 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.084 ( -10.201 -8.717 -16.043) 20.915 4.894 ( 5.579 -7.752 9.390) 13.394 6.260 ( -1.326 2.228 -2.546) 3.634 6.798 ( -2.475 24.219 12.242) 27.250 7.612 ( -0.218 -6.860 5.771) 8.968 8.162 ( -2.036 -14.611 -2.257) 14.924 8.731 ( -1.665 -3.636 -4.934) 6.351 10.560 ( 0.040 -13.436 -0.643) 13.452 14.241 ( -0.689 12.131 0.114) 12.152 17.554 ( -1.243 -3.101 -1.777) 3.784 18.562 ( -0.793 -2.223 3.089) 3.888 19.104 ( 3.972 13.000 -0.786) 13.616 ======================= Grid point 1040 (487/1062) ======================= q-point: (-0.45 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -10.233 0.000 9.529) 13.983 2.881 ( -13.837 0.000 22.782) 26.654 3.071 ( 3.739 -0.000 -2.818) 4.682 4.513 ( 4.138 -0.000 -7.398) 8.477 5.998 ( -4.464 0.000 -12.905) 13.656 7.497 ( -1.793 0.000 6.951) 7.179 7.978 ( -2.034 0.000 3.132) 3.734 10.794 ( 0.970 -0.000 1.135) 1.493 15.050 ( -0.946 0.000 2.496) 2.669 17.993 ( 0.731 -0.000 4.198) 4.262 18.428 ( -0.154 0.000 -3.304) 3.308 19.793 ( -0.422 0.000 -5.694) 5.710 ======================= Grid point 1041 (488/1062) ======================= q-point: (-0.40 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -9.044 -49.453 7.437) 50.820 2.862 ( -18.352 -3.442 14.721) 23.778 3.109 ( 5.999 -0.792 3.431) 6.956 4.666 ( 3.761 -16.530 -6.840) 18.281 5.880 ( -5.296 2.824 -10.312) 11.932 7.514 ( -5.666 -1.526 6.191) 8.530 7.919 ( -2.684 5.001 0.208) 5.679 10.728 ( 1.209 9.227 2.054) 9.530 15.144 ( -1.105 -9.648 2.119) 9.939 17.995 ( 1.000 2.467 3.813) 4.651 18.561 ( 1.268 -15.078 -1.225) 15.181 19.669 ( 0.062 10.301 -5.808) 11.826 ======================= Grid point 1042 (489/1062) ======================= q-point: (-0.35 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( -16.480 -11.054 10.386) 22.398 3.101 ( 1.332 -7.120 2.493) 7.661 3.598 ( -5.830 -60.298 8.502) 61.173 5.073 ( 3.053 -27.381 -7.002) 28.427 5.730 ( -5.605 3.854 -5.909) 9.010 7.506 ( -9.631 0.438 6.678) 11.728 7.794 ( -2.124 3.567 -4.630) 6.218 10.499 ( -0.790 16.504 1.825) 16.624 15.385 ( -1.047 -16.197 1.241) 16.278 17.963 ( 1.353 3.634 3.196) 5.025 18.927 ( 4.734 -18.134 3.281) 19.027 19.386 ( 0.676 15.930 -6.012) 17.040 ======================= Grid point 1043 (490/1062) ======================= q-point: (-0.30 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( -13.700 -19.984 12.666) 27.340 3.223 ( -0.603 -9.774 -2.174) 10.031 4.704 ( -8.121 -54.885 6.057) 55.812 5.499 ( -2.336 -14.449 -9.405) 17.398 5.774 ( 2.044 -24.161 1.675) 24.305 7.377 ( -9.282 7.198 3.845) 12.359 7.774 ( -4.566 -6.359 -5.188) 9.392 10.152 ( -3.358 20.112 1.529) 20.447 15.702 ( -0.821 -18.026 0.358) 18.048 17.918 ( 1.681 3.962 2.695) 5.078 18.869 ( 0.803 24.122 -2.006) 24.219 19.441 ( 7.665 -15.189 2.808) 17.243 ======================= Grid point 1044 (491/1062) ======================= q-point: (-0.25 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( -5.032 -7.018 5.629) 10.308 3.647 ( -10.313 -38.101 -1.094) 39.487 5.143 ( -7.656 -3.351 3.972) 9.253 5.958 ( -1.159 -37.348 2.452) 37.446 6.478 ( 4.884 -42.968 -4.826) 43.513 7.214 ( -8.576 1.063 3.844) 9.458 7.868 ( -7.413 -11.059 -5.035) 14.234 9.740 ( -5.128 22.229 1.904) 22.892 15.988 ( -0.574 -12.198 -0.502) 12.222 17.870 ( 1.653 3.871 1.806) 4.580 18.394 ( 0.175 24.748 -1.968) 24.826 19.732 ( 8.853 -6.175 5.025) 11.906 ======================= Grid point 1045 (492/1062) ======================= q-point: (-0.20 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( -7.813 -9.677 -2.993) 12.792 4.295 ( -10.717 -38.244 -0.716) 39.723 5.166 ( -0.601 -4.573 11.268) 12.175 6.561 ( -1.585 -26.276 2.673) 26.459 6.855 ( 0.706 -1.636 -7.049) 7.271 7.670 ( -4.503 -49.664 5.322) 50.150 8.003 ( -8.266 -13.720 -5.631) 16.978 9.283 ( -5.765 24.092 2.504) 24.899 16.052 ( -0.337 6.369 -1.633) 6.584 17.813 ( 1.328 4.695 -0.275) 4.887 18.047 ( -0.630 9.879 0.572) 9.916 19.842 ( 8.434 3.736 4.955) 10.471 ======================= Grid point 1046 (493/1062) ======================= q-point: (-0.15 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( -11.397 -12.640 -11.124) 20.333 4.687 ( -3.954 -9.630 7.893) 13.064 5.571 ( -0.723 -33.065 9.259) 34.345 6.700 ( 0.803 2.159 -2.832) 3.650 7.090 ( -4.521 -21.675 0.996) 22.164 8.076 ( -9.137 -8.325 -4.584) 13.183 8.638 ( -1.694 -41.910 3.948) 42.130 8.836 ( -4.458 13.261 0.475) 13.998 15.724 ( -0.148 26.426 -2.285) 26.525 17.713 ( 0.341 5.911 -0.941) 5.996 18.049 ( -1.204 -7.991 1.435) 8.207 19.791 ( 7.740 10.542 4.080) 13.700 ======================= Grid point 1047 (494/1062) ======================= q-point: (-0.10 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( -12.952 -14.949 -16.278) 25.616 4.811 ( 3.510 -0.515 14.934) 15.350 6.150 ( -4.456 -20.636 1.171) 21.144 6.786 ( 2.074 -16.679 1.550) 16.878 7.360 ( -9.657 -10.222 3.360) 14.458 7.998 ( -3.340 9.351 -0.339) 9.935 8.547 ( -4.153 0.666 -2.718) 5.008 9.518 ( -0.781 -41.848 0.789) 41.863 15.158 ( -0.100 32.222 -1.710) 32.268 17.606 ( -0.752 4.920 -1.061) 5.089 18.247 ( -1.378 -12.441 1.124) 12.567 19.634 ( 6.959 14.265 2.648) 16.092 ======================= Grid point 1048 (495/1062) ======================= q-point: (-0.05 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.687 ( -11.303 -15.552 -16.737) 25.490 4.923 ( 4.800 -0.800 13.230) 14.096 6.255 ( -2.576 -0.737 -2.766) 3.851 7.167 ( -6.812 3.704 8.832) 11.753 7.362 ( -1.880 -14.731 6.658) 16.275 7.919 ( -0.538 -5.375 -3.111) 6.234 8.585 ( -3.344 -7.111 -5.292) 9.474 10.166 ( -0.421 -29.033 -0.189) 29.037 14.601 ( -0.235 26.550 -0.287) 26.553 17.526 ( -1.237 1.880 -1.221) 2.560 18.450 ( -1.337 -9.562 1.182) 9.727 19.415 ( 5.827 15.905 0.668) 16.952 ======================= Grid point 1061 (496/1062) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -12.175 0.000 9.992) 15.750 2.751 ( -20.197 0.000 11.592) 23.287 3.154 ( 2.353 -0.000 3.120) 3.908 4.506 ( 3.825 -0.000 -7.303) 8.244 5.826 ( -5.200 0.000 -7.008) 8.727 7.477 ( -6.705 0.000 4.333) 7.984 7.929 ( -6.241 0.000 -1.477) 6.414 10.859 ( 3.962 -0.000 4.966) 6.352 15.055 ( -1.353 0.000 2.431) 2.782 18.049 ( 1.378 -0.000 4.337) 4.551 18.393 ( -0.465 0.000 -3.184) 3.218 19.739 ( 0.466 -0.000 -5.799) 5.818 ======================= Grid point 1062 (497/1062) ======================= q-point: (-0.35 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -10.758 -49.589 7.471) 51.289 2.668 ( -19.411 -4.750 7.554) 21.364 3.189 ( -2.040 -2.850 4.823) 5.962 4.656 ( 3.372 -16.381 -7.153) 18.190 5.734 ( -5.091 2.874 -2.650) 6.419 7.449 ( -8.060 -1.080 3.755) 8.957 7.812 ( -8.322 4.315 -5.431) 10.834 10.798 ( 3.111 12.755 5.645) 14.291 15.143 ( -1.443 -9.435 2.012) 9.755 18.047 ( 1.433 2.844 3.277) 4.570 18.582 ( 2.413 -20.083 -0.123) 20.227 19.621 ( 0.722 10.387 -5.653) 11.848 ======================= Grid point 1063 (498/1062) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -17.512 -13.640 4.482) 22.645 3.063 ( -8.067 -13.656 0.408) 15.866 3.589 ( -6.503 -55.160 9.267) 56.309 5.041 ( 2.027 -25.351 -7.729) 26.580 5.650 ( -3.189 1.202 3.906) 5.184 7.414 ( -8.983 1.205 5.187) 10.443 7.632 ( -9.292 1.619 -10.931) 14.438 10.514 ( -1.294 20.532 4.037) 20.965 15.378 ( -1.351 -16.032 1.309) 16.142 18.014 ( 1.752 3.579 2.576) 4.745 19.063 ( 7.437 -20.591 5.750) 22.636 19.343 ( 1.636 14.269 -7.060) 16.004 ======================= Grid point 1064 (499/1062) ======================= q-point: (-0.25 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -14.296 -28.080 0.359) 31.511 3.125 ( -10.925 -5.913 0.172) 12.424 4.651 ( -6.995 -51.664 7.785) 52.713 5.423 ( -0.639 -18.574 -1.638) 18.657 5.838 ( 2.671 -24.088 3.875) 24.543 7.269 ( -7.558 7.571 0.496) 10.709 7.579 ( -11.199 -8.888 -8.747) 16.761 10.109 ( -5.145 22.079 2.707) 22.831 15.691 ( -1.159 -17.930 0.722) 17.982 17.969 ( 1.981 4.153 2.020) 5.025 18.862 ( 0.653 25.760 -1.883) 25.837 19.618 ( 11.540 -17.472 3.034) 21.158 ======================= Grid point 1065 (500/1062) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( -13.963 -8.485 -9.852) 19.080 3.483 ( -11.124 -38.733 4.659) 40.567 5.150 ( -2.228 -7.932 11.995) 14.552 5.975 ( -1.252 -36.654 5.289) 37.055 6.497 ( 3.805 -39.684 -5.807) 40.287 7.118 ( -7.169 -1.714 1.645) 7.552 7.654 ( -11.800 -12.712 -7.325) 18.828 9.666 ( -7.195 22.455 2.341) 23.696 15.974 ( -0.932 -11.991 0.191) 12.029 17.910 ( 1.762 4.722 1.002) 5.139 18.380 ( 0.186 24.636 -1.450) 24.679 19.931 ( 11.445 -5.023 3.487) 12.976 ======================= Grid point 1066 (501/1062) ======================= q-point: (-0.15 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -15.947 -10.247 -12.925) 22.943 4.173 ( -7.647 -40.075 4.418) 41.037 5.315 ( 2.270 -6.465 15.635) 17.071 6.569 ( -1.773 -26.154 4.167) 26.543 6.773 ( -1.057 -0.762 -9.835) 9.921 7.643 ( -5.943 -43.020 4.872) 43.701 7.808 ( -7.620 -23.204 -6.726) 25.333 9.200 ( -7.981 23.243 2.013) 24.657 16.035 ( -0.568 6.718 -0.425) 6.756 17.827 ( 1.204 6.025 -0.870) 6.205 18.042 ( -0.655 9.485 0.559) 9.524 20.022 ( 10.009 5.172 2.469) 11.534 ======================= Grid point 1067 (502/1062) ======================= q-point: (-0.10 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -15.640 -13.017 -14.943) 25.246 4.748 ( -1.253 -20.176 10.614) 22.832 5.647 ( -0.662 -23.403 8.892) 25.044 6.688 ( 2.070 0.313 -5.118) 5.530 7.009 ( -7.502 -20.604 2.572) 22.078 7.906 ( -7.433 -11.878 -3.347) 14.406 8.641 ( -2.229 -38.651 3.095) 38.839 8.746 ( -6.612 8.682 -1.342) 10.996 15.709 ( -0.172 26.589 -0.491) 26.594 17.707 ( 0.170 6.710 -1.040) 6.792 18.040 ( -1.296 -7.703 0.763) 7.849 19.944 ( 8.601 11.696 1.053) 14.556 ======================= Grid point 1068 (503/1062) ======================= q-point: (-0.05 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -13.020 -16.164 -14.704) 25.437 5.003 ( 2.996 -2.943 13.715) 14.344 6.078 ( -4.753 -17.424 -1.157) 18.098 6.829 ( 2.489 -18.318 -0.339) 18.490 7.249 ( -9.389 -10.326 5.670) 15.064 7.958 ( -2.263 4.124 0.733) 4.761 8.426 ( -6.612 0.764 -4.800) 8.207 9.510 ( -0.712 -41.853 0.060) 41.859 15.151 ( -0.043 32.213 0.432) 32.216 17.585 ( -0.698 5.626 -0.890) 5.739 18.232 ( -1.514 -12.530 0.462) 12.630 19.756 ( 7.279 15.435 -0.536) 17.074 ======================= Grid point 1082 (504/1062) ======================= q-point: (-0.35 -0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -14.195 0.000 11.124) 18.034 2.505 ( -21.512 0.000 5.357) 22.170 3.148 ( -7.486 0.000 3.271) 8.169 4.495 ( 3.586 -0.000 -7.202) 8.045 5.719 ( -4.656 0.000 0.951) 4.752 7.387 ( -7.666 0.000 0.347) 7.674 7.747 ( -11.933 0.000 -6.404) 13.543 11.009 ( 6.564 -0.000 9.015) 11.152 15.053 ( -1.664 0.000 2.187) 2.749 18.115 ( 2.006 -0.000 3.902) 4.388 18.355 ( -0.725 0.000 -2.773) 2.866 19.700 ( 0.897 -0.000 -4.867) 4.949 ======================= Grid point 1083 (505/1062) ======================= q-point: (-0.30 -0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -12.971 -45.618 6.972) 47.936 2.407 ( -20.224 -10.156 3.333) 22.875 3.122 ( -12.037 -5.300 4.703) 13.967 4.639 ( 3.140 -15.786 -7.076) 17.582 5.681 ( -3.685 1.677 5.804) 7.076 7.335 ( -8.663 -1.856 -2.115) 9.109 7.572 ( -12.707 4.535 -7.931) 15.650 10.917 ( 3.292 18.691 8.037) 20.610 15.137 ( -1.708 -9.326 1.857) 9.661 18.099 ( 1.802 3.120 2.396) 4.327 18.638 ( 4.433 -27.286 0.703) 27.653 19.587 ( 0.930 10.704 -4.155) 11.520 ======================= Grid point 1084 (506/1062) ======================= q-point: (-0.25 -0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -18.539 -16.089 -1.587) 24.598 2.873 ( -16.033 -14.042 0.262) 21.314 3.560 ( -8.947 -56.367 10.144) 57.967 5.006 ( 2.106 -23.887 -5.926) 24.701 5.694 ( -0.928 -2.280 11.202) 11.469 7.299 ( -14.236 -5.344 -12.192) 19.490 7.342 ( -7.543 6.604 -0.832) 10.060 10.518 ( -3.943 25.535 4.595) 26.243 15.368 ( -1.629 -15.968 1.527) 16.123 18.066 ( 2.220 3.553 1.903) 4.601 19.264 ( 7.527 -8.316 9.191) 14.501 19.309 ( 5.850 -2.030 -9.094) 11.002 ======================= Grid point 1085 (507/1062) ======================= q-point: (-0.20 -0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -16.102 -24.228 -13.083) 31.898 2.933 ( -17.330 -13.332 8.023) 23.290 4.626 ( -6.417 -53.117 8.756) 54.215 5.439 ( 1.437 -23.818 2.844) 24.031 5.929 ( 2.244 -19.692 7.332) 21.132 7.103 ( -9.834 3.047 -12.679) 16.333 7.328 ( -10.875 -7.290 -1.601) 13.190 10.032 ( -8.243 23.684 2.552) 25.207 15.680 ( -1.489 -17.889 1.246) 17.994 18.017 ( 2.309 4.552 1.192) 5.241 18.855 ( 0.565 26.181 -1.655) 26.239 19.853 ( 15.043 -16.995 2.449) 22.828 ======================= Grid point 1086 (508/1062) ======================= q-point: (-0.15 -0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -19.321 -11.473 -15.571) 27.339 3.378 ( -10.431 -38.769 7.426) 40.829 5.258 ( -0.386 -15.367 13.783) 20.646 6.022 ( -1.450 -33.042 9.216) 34.334 6.471 ( 1.082 -31.930 -9.314) 33.278 7.018 ( -5.281 -11.082 -2.367) 12.502 7.402 ( -11.881 -12.454 -4.579) 17.811 9.553 ( -9.878 22.396 1.704) 24.537 15.962 ( -1.276 -11.968 0.947) 12.074 17.943 ( 1.889 5.731 -0.016) 6.034 18.373 ( 0.166 24.623 -0.644) 24.632 20.146 ( 13.196 -2.719 0.949) 13.506 ======================= Grid point 1087 (509/1062) ======================= q-point: (-0.10 -0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -18.420 -11.918 -13.881) 25.962 4.115 ( -6.185 -43.525 5.369) 44.289 5.502 ( 2.377 -5.633 15.470) 16.635 6.539 ( -8.768 -23.075 1.246) 24.716 6.678 ( 3.784 -4.366 -9.225) 10.885 7.533 ( -10.182 -19.731 0.360) 22.206 7.708 ( -1.065 -48.822 -1.012) 48.844 9.069 ( -10.393 22.675 0.769) 24.956 16.026 ( -0.801 6.577 0.787) 6.672 17.834 ( 1.113 7.120 -1.358) 7.334 18.038 ( -0.604 9.730 0.631) 9.769 20.193 ( 10.676 7.035 -0.844) 12.813 ======================= Grid point 1088 (510/1062) ======================= q-point: (-0.05 -0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -15.221 -15.053 -12.239) 24.659 4.817 ( -1.731 -29.460 8.404) 30.684 5.704 ( -1.743 -12.359 6.245) 13.957 6.658 ( 1.383 -5.558 -7.287) 9.269 6.928 ( -6.597 -17.300 4.533) 19.062 7.791 ( -4.717 -16.602 -0.911) 17.283 8.579 ( -9.840 18.169 -0.187) 20.664 8.657 ( -1.130 -47.959 -0.493) 47.974 15.710 ( -0.246 26.357 1.375) 26.394 17.699 ( 0.120 7.367 -0.995) 7.435 18.024 ( -1.252 -7.240 0.132) 7.349 20.072 ( 8.649 12.963 -2.548) 15.791 ======================= Grid point 1103 (511/1062) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -16.186 0.000 13.018) 20.771 2.185 ( -23.074 0.000 0.601) 23.082 2.986 ( -17.869 0.000 5.127) 18.590 4.483 ( 3.438 -0.000 -7.113) 7.900 5.697 ( -3.939 0.000 8.034) 8.948 7.213 ( -11.119 0.000 -10.474) 15.276 7.494 ( -11.344 0.000 -3.160) 11.776 11.215 ( 7.502 -0.000 10.651) 13.027 15.044 ( -1.852 0.000 1.782) 2.570 18.182 ( 2.529 -0.000 2.697) 3.698 18.319 ( -0.908 0.000 -2.102) 2.290 19.679 ( 0.927 -0.000 -2.385) 2.559 ======================= Grid point 1104 (512/1062) ======================= q-point: (-0.25 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -20.058 -16.439 0.009) 25.934 2.151 ( -16.237 -38.750 6.133) 42.459 2.924 ( -20.693 -9.689 9.014) 24.563 4.624 ( 3.229 -15.530 -6.593) 17.178 5.715 ( -3.196 -0.681 11.584) 12.036 7.054 ( -16.253 -1.114 -16.748) 23.365 7.381 ( -6.310 3.566 0.664) 7.278 11.028 ( 0.819 27.319 7.371) 28.308 15.126 ( -1.866 -9.383 1.769) 9.728 18.149 ( 2.263 2.871 1.610) 3.994 18.734 ( 7.620 -36.502 -0.320) 37.290 19.578 ( 0.852 10.935 -0.225) 10.971 ======================= Grid point 1105 (513/1062) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -19.483 -17.184 -7.593) 27.065 2.598 ( -21.394 -13.278 4.740) 25.622 3.509 ( -10.743 -60.240 12.115) 62.378 4.998 ( 2.858 -24.477 -4.250) 25.007 5.811 ( -0.651 -5.220 15.363) 16.239 6.861 ( -18.757 -3.202 -20.650) 28.081 7.287 ( -3.225 3.420 2.344) 5.253 10.460 ( -8.618 30.127 3.078) 31.486 15.357 ( -1.834 -15.965 1.986) 16.193 18.118 ( 2.711 3.684 1.156) 4.718 19.268 ( 1.823 15.987 -6.096) 17.207 19.556 ( 16.470 -29.009 6.785) 34.041 ======================= Grid point 1106 (514/1062) ======================= q-point: (-0.15 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -19.023 -18.838 -15.687) 31.030 2.750 ( -17.760 -22.538 11.115) 30.772 4.611 ( -6.630 -56.084 9.517) 57.270 5.502 ( 2.830 -29.350 2.575) 29.599 6.039 ( 0.047 -12.114 11.317) 16.578 6.732 ( -14.538 -9.633 -20.743) 27.101 7.230 ( -4.299 0.710 2.451) 4.999 9.895 ( -11.747 24.143 1.324) 26.882 15.669 ( -1.753 -17.830 1.922) 18.018 18.062 ( 2.554 5.198 0.085) 5.792 18.851 ( 0.576 25.931 -1.038) 25.958 20.122 ( 17.484 -13.840 0.313) 22.301 ======================= Grid point 1107 (515/1062) ======================= q-point: (-0.10 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -20.143 -13.189 -13.165) 27.441 3.290 ( -9.778 -40.964 7.420) 42.764 5.375 ( -0.668 -24.203 12.434) 27.218 6.087 ( -4.771 -21.774 12.031) 25.330 6.334 ( -1.995 -27.042 -16.542) 31.763 6.928 ( -1.555 -29.078 -3.950) 29.387 7.232 ( -7.882 -6.173 1.282) 10.094 9.391 ( -12.089 21.952 0.477) 25.065 15.953 ( -1.549 -12.056 1.720) 12.276 17.967 ( 1.919 6.772 -1.356) 7.168 18.375 ( 0.185 24.697 0.595) 24.705 20.349 ( 13.615 0.448 -2.648) 13.877 ======================= Grid point 1108 (516/1062) ======================= q-point: (-0.05 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -17.178 -14.336 -9.586) 24.341 4.073 ( -5.392 -46.260 4.797) 46.819 5.656 ( 0.390 -2.532 11.145) 11.435 6.343 ( -10.280 -19.942 -6.430) 23.339 6.708 ( 5.336 -11.290 -2.905) 12.821 7.394 ( -8.049 -18.617 1.375) 20.330 7.704 ( -0.035 -51.286 0.876) 51.293 8.896 ( -11.752 22.314 -0.572) 25.226 16.025 ( -1.018 5.993 1.942) 6.382 17.836 ( 1.023 7.650 -1.856) 7.938 18.037 ( -0.463 10.766 0.929) 10.816 20.331 ( 10.231 8.993 -4.746) 14.425 ======================= Grid point 1124 (517/1062) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -17.974 0.000 15.740) 23.892 1.805 ( -24.351 0.000 -2.168) 24.447 2.713 ( -26.173 0.000 11.245) 28.486 4.469 ( 3.386 -0.000 -7.051) 7.822 5.723 ( -5.328 0.000 10.950) 12.177 6.835 ( -16.999 0.000 -18.947) 25.455 7.381 ( -3.979 0.000 2.362) 4.627 11.421 ( 7.016 -0.000 7.922) 10.582 15.029 ( -1.898 0.000 1.252) 2.274 18.241 ( 2.836 -0.000 0.746) 2.932 18.289 ( -0.991 0.000 -1.237) 1.585 19.690 ( 0.822 -0.000 2.328) 2.469 ======================= Grid point 1125 (518/1062) ======================= q-point: (-0.20 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -22.852 -8.132 -3.666) 24.531 1.977 ( -16.452 -42.026 8.826) 45.987 2.681 ( -25.465 -18.323 17.207) 35.781 4.617 ( 3.570 -16.029 -6.196) 17.552 5.767 ( -5.601 -4.676 11.616) 13.718 6.600 ( -18.025 0.992 -18.977) 26.192 7.344 ( -1.277 3.025 3.021) 4.462 11.055 ( -4.457 38.351 2.923) 38.719 15.113 ( -1.865 -9.699 1.904) 10.058 18.201 ( 2.862 2.364 0.982) 3.840 18.862 ( 11.930 -45.682 -5.440) 47.527 19.626 ( 1.558 8.950 7.684) 11.898 ======================= Grid point 1126 (519/1062) ======================= q-point: (-0.15 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -19.812 -16.425 -8.797) 27.197 2.318 ( -23.547 -15.322 10.882) 30.127 3.459 ( -11.417 -63.425 14.350) 66.022 5.010 ( 3.491 -25.612 -4.022) 26.159 5.940 ( -2.464 -10.775 15.141) 18.746 6.362 ( -18.607 -1.757 -20.861) 28.009 7.283 ( 0.049 4.378 2.264) 4.929 10.299 ( -14.106 32.249 0.245) 35.200 15.350 ( -1.924 -15.945 2.688) 16.284 18.170 ( 3.004 4.104 0.091) 5.087 19.244 ( 2.377 14.024 -5.980) 15.430 19.905 ( 20.763 -26.407 5.104) 33.977 ======================= Grid point 1127 (520/1062) ======================= q-point: (-0.10 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -19.420 -16.520 -10.820) 27.697 2.593 ( -16.324 -28.834 12.322) 35.351 4.600 ( -6.765 -58.598 10.672) 59.945 5.557 ( 2.990 -33.758 -2.070) 33.954 6.077 ( -9.685 3.018 2.840) 10.534 6.376 ( -6.071 -25.622 -8.776) 27.756 7.212 ( -0.807 3.888 1.696) 4.318 9.696 ( -14.177 22.970 -0.267) 26.994 15.662 ( -1.902 -17.684 2.680) 17.987 18.096 ( 2.526 6.048 -1.429) 6.708 18.856 ( 0.678 25.339 0.096) 25.348 20.386 ( 17.937 -8.579 -3.845) 20.251 ======================= Grid point 1128 (521/1062) ======================= q-point: (-0.05 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -17.951 -14.867 -6.433) 24.180 3.217 ( -8.476 -43.123 7.565) 44.594 5.470 ( -1.296 -32.331 11.082) 34.202 5.936 ( -13.790 -4.366 -11.875) 18.715 6.275 ( 3.897 -38.267 0.747) 38.472 6.900 ( 0.477 -35.187 -1.015) 35.205 7.167 ( -3.946 -1.443 3.699) 5.597 9.195 ( -12.602 21.118 -0.815) 24.606 15.947 ( -1.708 -12.173 2.455) 12.535 17.976 ( 1.723 7.658 -2.941) 8.382 18.391 ( 0.284 24.862 2.193) 24.961 20.509 ( 12.395 3.742 -7.089) 14.761 ======================= Grid point 1145 (522/1062) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -19.279 0.000 19.248) 27.242 1.408 ( -24.333 0.000 -0.369) 24.336 2.406 ( -31.629 0.000 20.260) 37.562 4.456 ( 3.425 -0.000 -7.030) 7.820 5.680 ( -11.316 0.000 2.886) 11.678 6.420 ( -13.894 0.000 -12.678) 18.809 7.395 ( 0.718 -0.000 6.187) 6.228 11.555 ( 5.426 -0.000 -1.850) 5.733 15.009 ( -1.800 0.000 0.655) 1.915 18.266 ( -0.961 0.000 -0.267) 0.998 18.282 ( 2.850 -0.000 -1.291) 3.129 19.760 ( 1.424 -0.000 9.802) 9.905 ======================= Grid point 1146 (523/1062) ======================= q-point: (-0.15 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -22.022 -7.301 0.120) 23.201 1.794 ( -19.409 -33.264 12.009) 40.341 2.477 ( -25.829 -31.020 25.206) 47.589 4.619 ( 4.187 -17.037 -6.290) 18.638 5.666 ( -13.693 -10.963 -6.818) 18.820 6.247 ( -10.832 4.187 -1.615) 11.724 7.397 ( 2.446 4.662 6.478) 8.348 10.917 ( -12.897 48.979 -4.899) 50.885 15.105 ( -1.655 -10.291 2.270) 10.667 18.254 ( 3.201 2.328 0.001) 3.958 18.983 ( 14.849 -47.476 -14.288) 51.755 19.800 ( 6.770 -0.389 16.864) 18.176 ======================= Grid point 1147 (524/1062) ======================= q-point: (-0.10 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -18.493 -14.485 -2.591) 23.633 2.082 ( -22.836 -19.165 16.499) 34.073 3.426 ( -11.229 -65.543 16.379) 68.485 5.020 ( 3.095 -25.459 -6.016) 26.343 5.783 ( -14.024 -18.430 -22.693) 32.424 6.148 ( -5.051 0.675 17.690) 18.410 7.330 ( 2.585 6.876 3.145) 7.991 10.033 ( -18.245 29.777 -2.456) 35.008 15.349 ( -1.900 -15.840 3.440) 16.320 18.210 ( 2.832 4.774 -1.456) 5.738 19.231 ( 2.732 12.400 -5.154) 13.703 20.272 ( 22.766 -19.535 -1.203) 30.022 ======================= Grid point 1148 (525/1062) ======================= q-point: (-0.05 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -16.803 -15.542 -1.157) 22.918 2.481 ( -13.634 -33.044 13.964) 38.377 4.602 ( -6.625 -60.314 11.944) 61.841 5.484 ( -4.475 -27.305 -16.780) 32.360 5.853 ( -5.373 -12.230 -7.550) 15.344 6.399 ( -1.151 -20.358 14.141) 24.814 7.230 ( 1.254 6.367 1.087) 6.580 9.463 ( -14.016 20.362 -1.596) 24.771 15.661 ( -1.929 -17.441 3.377) 17.869 18.110 ( 2.111 6.946 -3.221) 7.942 18.875 ( 0.812 24.548 1.612) 24.614 20.587 ( 15.529 -2.918 -9.756) 18.570 ======================= Grid point 1166 (526/1062) ======================= q-point: (-0.15 -0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -21.826 0.000 6.968) 22.911 1.251 ( -19.686 0.000 23.212) 30.436 2.130 ( -34.080 0.000 31.132) 46.159 4.444 ( 3.546 -0.000 -7.055) 7.896 5.375 ( -17.260 0.000 -17.425) 24.527 6.234 ( -7.650 0.000 6.606) 10.108 7.532 ( 5.782 -0.000 13.364) 14.561 11.498 ( -0.676 0.000 -22.739) 22.749 14.986 ( -1.567 0.000 0.060) 1.568 18.254 ( -0.814 0.000 0.702) 1.075 18.308 ( 2.727 -0.000 -2.032) 3.401 19.937 ( 4.903 -0.000 18.266) 18.913 ======================= Grid point 1167 (527/1062) ======================= q-point: (-0.10 -0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -18.663 -6.136 9.236) 21.709 1.614 ( -21.444 -25.429 18.753) 38.186 2.358 ( -23.114 -41.941 30.776) 56.925 4.624 ( 4.565 -17.367 -7.866) 19.604 5.265 ( -14.925 -12.731 -23.712) 30.775 6.206 ( -6.364 1.425 15.863) 17.151 7.548 ( 6.302 10.076 11.582) 16.595 10.548 ( -23.725 50.475 -12.388) 57.132 15.104 ( -1.323 -11.031 2.410) 11.369 18.294 ( 2.790 2.752 -1.632) 4.245 19.044 ( 13.373 -41.515 -19.759) 47.882 20.137 ( 15.832 -10.207 13.884) 23.401 ======================= Grid point 1168 (528/1062) ======================= q-point: (-0.05 -0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -15.083 -12.213 8.386) 21.142 1.933 ( -19.024 -22.799 22.097) 37.013 3.419 ( -10.387 -66.602 18.049) 69.782 4.944 ( -2.536 -20.233 -15.135) 25.394 5.402 ( -5.001 -22.387 -20.056) 30.470 6.276 ( -3.715 -4.409 22.201) 22.937 7.417 ( 3.855 11.294 4.292) 12.682 9.713 ( -18.059 22.537 -3.658) 29.111 15.354 ( -1.824 -15.727 3.884) 16.302 18.227 ( 2.122 5.491 -3.258) 6.729 19.231 ( 2.881 10.330 -4.246) 11.534 20.547 ( 18.675 -10.573 -11.232) 24.222 ======================= Grid point 1187 (529/1062) ======================= q-point: (-0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -18.550 0.000 14.459) 23.520 1.186 ( -18.756 0.000 26.856) 32.757 1.961 ( -31.386 0.000 43.478) 53.623 4.434 ( 3.738 -0.000 -7.119) 8.041 4.908 ( -14.191 0.000 -26.514) 30.073 6.246 ( -6.099 0.000 17.602) 18.629 7.847 ( 15.624 -0.000 18.906) 24.526 11.018 ( -21.439 0.000 -45.141) 49.973 14.962 ( -1.223 0.000 -0.464) 1.308 18.254 ( -0.560 0.000 1.566) 1.663 18.333 ( 2.608 -0.000 -1.654) 3.088 20.240 ( 10.531 -0.000 16.758) 19.792 ======================= Grid point 1188 (530/1062) ======================= q-point: (-0.05 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -15.585 -6.300 16.015) 23.218 1.515 ( -17.979 -22.714 27.191) 39.731 2.337 ( -19.104 -45.724 34.954) 60.642 4.570 ( -0.336 -11.354 -15.768) 19.433 4.867 ( -4.692 -19.728 -22.281) 30.127 6.305 ( -3.894 -1.197 21.957) 22.331 7.802 ( 10.335 21.996 13.173) 27.644 10.000 ( -28.795 33.627 -12.022) 45.874 15.106 ( -1.165 -11.992 1.737) 12.173 18.306 ( 1.737 3.094 -3.403) 4.916 19.031 ( 9.411 -38.521 -20.565) 44.670 20.446 ( 13.190 -7.784 -1.708) 15.411 ======================= Grid point 1208 (531/1062) ======================= q-point: (-0.05 -0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -16.453 0.000 17.993) 24.381 1.175 ( -16.378 0.000 29.127) 33.416 1.992 ( -22.520 0.000 52.257) 56.903 4.427 ( 3.990 -0.000 -7.209) 8.240 4.474 ( -7.318 0.000 -29.347) 30.246 6.376 ( -1.622 0.000 23.063) 23.120 8.327 ( 26.256 -0.000 7.482) 27.302 10.110 ( -40.034 0.000 -30.921) 50.585 14.940 ( -0.802 0.000 -0.860) 1.176 18.266 ( -0.224 0.000 2.233) 2.244 18.347 ( 1.204 -0.000 -2.377) 2.665 20.464 ( 3.623 -0.000 3.783) 5.238 ======================= Grid point 1209 (532/1062) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -1.476 0.000 21.555) 21.605 1.743 ( -11.095 0.000 24.331) 26.741 3.129 ( -10.600 0.000 36.799) 38.295 3.598 ( -0.382 0.000 -21.706) 21.709 4.262 ( 5.239 -0.000 -9.117) 10.515 6.994 ( 2.807 -0.000 17.176) 17.404 8.294 ( 2.343 -0.000 -17.280) 17.438 9.430 ( -2.952 0.000 -4.010) 4.979 14.901 ( -0.339 0.000 -1.043) 1.097 18.262 ( -1.037 0.000 -2.883) 3.063 18.341 ( 0.152 -0.000 2.594) 2.598 20.526 ( -3.087 0.000 3.361) 4.563 ======================= Grid point 1210 (533/1062) ======================= q-point: ( 0.05 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 7.404 -13.182 22.175) 26.838 2.205 ( -7.396 -37.308 23.476) 44.696 3.272 ( -4.406 -10.763 14.642) 18.698 3.560 ( -1.124 -4.666 -8.245) 9.540 4.473 ( 4.639 -21.576 -9.868) 24.175 7.109 ( 3.986 -1.245 15.233) 15.795 7.970 ( -1.801 21.789 -9.760) 23.943 9.372 ( 4.277 5.462 -3.791) 7.906 15.064 ( -0.709 -16.077 -1.196) 16.137 18.148 ( -0.595 5.605 -4.086) 6.961 18.696 ( -0.150 -27.853 -3.651) 28.091 20.410 ( -3.739 10.904 2.039) 11.706 ======================= Grid point 1211 (534/1062) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 11.976 -19.802 23.109) 32.704 2.843 ( -2.489 -19.124 28.043) 34.034 3.528 ( 2.749 -12.942 -27.157) 30.209 3.900 ( -4.600 -43.607 12.443) 45.580 4.950 ( 2.885 -30.555 -8.749) 31.914 7.238 ( 4.093 -1.572 12.159) 12.926 7.562 ( -1.370 15.564 -2.474) 15.819 9.250 ( 7.187 10.918 -3.806) 13.614 15.390 ( -1.429 -19.699 0.655) 19.761 18.002 ( -0.538 7.430 -5.042) 8.995 19.126 ( -0.192 -18.005 -3.687) 18.379 20.116 ( -3.775 16.197 -4.185) 17.150 ======================= Grid point 1212 (535/1062) ======================= q-point: ( 0.15 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 12.021 -20.730 23.101) 33.285 3.241 ( 3.021 -15.080 21.337) 26.302 3.634 ( -0.159 -12.697 -25.348) 28.351 4.907 ( -0.631 -58.715 1.610) 58.740 5.502 ( 1.110 -30.882 -6.336) 31.545 7.235 ( -0.653 4.548 -0.262) 4.602 7.497 ( 4.039 -4.057 10.211) 11.706 9.052 ( 8.980 15.608 -3.711) 18.385 15.740 ( -1.715 -18.724 2.359) 18.950 17.832 ( -0.303 7.797 -5.003) 9.269 19.203 ( -0.804 13.161 8.158) 15.505 19.824 ( -3.311 3.834 -16.719) 17.470 ======================= Grid point 1213 (536/1062) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 7.506 -18.383 17.743) 26.629 3.662 ( 9.187 -16.135 3.445) 18.884 3.809 ( -2.129 -21.536 -10.744) 24.162 5.890 ( 4.476 -40.473 -11.645) 42.353 6.006 ( -1.942 -30.308 4.897) 30.762 7.271 ( -1.490 -12.861 -0.622) 12.962 7.705 ( 4.817 -8.561 10.247) 14.195 8.792 ( 10.018 18.797 -3.964) 21.666 16.053 ( -1.673 -15.056 3.423) 15.531 17.683 ( 0.120 5.654 -4.434) 7.186 18.783 ( -1.654 30.973 7.153) 31.832 19.729 ( -2.528 -0.500 -15.202) 15.419 ======================= Grid point 1214 (537/1062) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( -3.928 -14.764 -2.291) 15.448 3.989 ( 15.904 -11.854 3.827) 20.202 4.347 ( 0.385 -35.480 2.887) 35.600 6.187 ( 2.464 -7.116 -7.639) 10.727 6.681 ( 2.522 -29.324 2.137) 29.510 7.707 ( -0.499 -32.503 -2.141) 32.577 7.968 ( 4.141 -11.525 10.046) 15.840 8.513 ( 9.190 15.502 -5.022) 18.709 16.264 ( -1.902 -5.813 5.229) 8.047 17.600 ( 0.641 1.367 -4.142) 4.409 18.236 ( -1.343 27.480 2.605) 27.636 19.600 ( -2.406 6.261 -10.528) 12.483 ======================= Grid point 1215 (538/1062) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( -10.107 -14.800 -15.553) 23.729 4.373 ( 17.834 -9.282 16.776) 26.185 5.073 ( 1.636 -41.598 0.050) 41.630 6.235 ( 2.517 -0.467 -4.301) 5.005 7.088 ( 6.425 -9.478 2.206) 11.661 8.074 ( 5.279 0.886 3.689) 6.501 8.194 ( 2.568 -8.518 -4.057) 9.778 8.667 ( 1.417 -34.634 -0.630) 34.669 16.202 ( -2.927 15.546 6.670) 17.168 17.600 ( 1.238 -2.236 -4.207) 4.922 17.900 ( -0.115 6.684 0.302) 6.692 19.369 ( -2.395 12.107 -7.200) 14.289 ======================= Grid point 1216 (539/1062) ======================= q-point: ( 0.35 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.659 ( -11.474 -15.441 -17.768) 26.188 4.737 ( 14.707 -7.491 17.745) 24.235 5.862 ( 2.633 -42.389 -0.756) 42.477 6.229 ( 2.369 1.186 -1.836) 3.224 7.111 ( 13.202 15.431 3.882) 20.676 8.110 ( -0.936 -6.954 0.919) 7.076 8.382 ( 1.168 -9.926 -3.965) 10.752 9.371 ( 1.048 -37.565 -0.612) 37.585 15.741 ( -3.389 32.316 4.567) 32.813 17.657 ( 1.692 -4.412 -1.565) 4.978 17.972 ( 0.674 -11.203 -0.504) 11.235 19.073 ( -2.334 14.509 -4.666) 15.418 ======================= Grid point 1217 (540/1062) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( -11.003 -14.190 -16.006) 24.055 5.021 ( 9.340 -4.935 12.053) 16.026 6.206 ( 2.594 1.733 -1.846) 3.625 6.627 ( 3.792 -35.691 2.681) 35.992 6.900 ( 14.032 17.892 7.268) 23.871 8.269 ( -3.894 -9.998 0.783) 10.759 8.518 ( -0.292 -7.023 -5.609) 8.993 9.994 ( 1.173 -29.453 -0.838) 29.488 15.111 ( -2.951 33.730 2.257) 33.934 17.748 ( 1.878 -3.407 -0.928) 3.999 18.223 ( 0.540 -14.102 0.812) 14.136 18.798 ( -1.894 10.567 -2.671) 11.062 ======================= Grid point 1218 (541/1062) ======================= q-point: ( 0.45 0.00 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.837 ( -9.492 -9.163 -13.449) 18.840 5.146 ( 4.016 1.295 4.290) 6.018 6.188 ( 2.039 1.272 -0.832) 2.543 6.778 ( 14.187 8.736 14.416) 22.032 7.274 ( 1.601 -27.313 2.627) 27.485 8.371 ( -5.041 -3.671 0.422) 6.250 8.584 ( -1.111 -4.239 -7.467) 8.658 10.433 ( 0.935 -17.639 -0.964) 17.690 14.550 ( -2.189 24.849 1.344) 24.981 17.754 ( 0.824 4.118 -0.711) 4.260 18.459 ( 0.078 -10.192 0.283) 10.197 18.693 ( -0.073 -1.976 -0.595) 2.065 ======================= Grid point 1219 (542/1062) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.793 ( -7.359 1.174 -11.615) 13.800 5.123 ( 1.068 2.974 2.596) 4.089 6.183 ( 0.768 0.013 -1.341) 1.546 6.917 ( 8.866 -5.254 15.849) 18.905 7.652 ( 0.361 -11.183 2.608) 11.489 8.300 ( -5.753 7.228 -1.133) 9.308 8.591 ( -0.787 -1.287 -7.470) 7.621 10.623 ( 0.514 -2.791 -1.359) 3.147 14.237 ( -1.373 7.624 2.047) 8.012 17.636 ( -0.720 7.236 0.628) 7.299 18.579 ( -0.348 -3.807 -2.428) 4.528 18.842 ( 2.316 -11.470 0.321) 11.706 ======================= Grid point 1220 (543/1062) ======================= q-point: (-0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( -5.714 12.215 -9.436) 16.459 5.135 ( -0.780 -2.561 4.948) 5.626 6.180 ( -0.311 0.021 -1.828) 1.854 7.200 ( 2.601 -11.730 12.739) 17.511 7.699 ( -1.197 6.475 -0.836) 6.638 8.016 ( -6.380 15.896 -2.437) 17.301 8.542 ( -0.139 3.401 -5.075) 6.110 10.520 ( 0.066 13.489 -2.009) 13.638 14.290 ( -0.656 -12.414 3.977) 13.052 17.528 ( -1.327 3.605 1.417) 4.095 18.569 ( -0.945 3.494 -1.612) 3.962 19.106 ( 4.259 -14.961 -3.731) 15.996 ======================= Grid point 1221 (544/1062) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( -5.560 17.489 -6.005) 19.310 5.233 ( -2.154 -5.512 6.494) 8.786 6.139 ( -1.561 3.814 -2.253) 4.697 7.217 ( -0.693 23.582 -4.817) 24.079 7.567 ( -2.712 3.354 12.585) 13.303 7.753 ( -7.353 -2.607 -6.608) 10.224 8.407 ( -0.356 9.380 -2.561) 9.730 10.122 ( -0.352 28.549 -2.330) 28.646 14.681 ( -0.131 -26.793 5.975) 27.452 17.504 ( -1.119 -1.329 1.050) 2.030 18.426 ( -1.340 10.061 -1.297) 10.232 19.405 ( 5.615 -16.185 -7.595) 18.740 ======================= Grid point 1222 (545/1062) ======================= q-point: (-0.35 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -6.303 18.352 -1.844) 19.492 5.308 ( -3.557 1.406 6.632) 7.656 5.912 ( -4.397 18.148 -4.312) 19.164 6.736 ( 1.794 18.176 -8.041) 19.956 7.313 ( -6.113 18.290 5.004) 19.923 7.965 ( -5.257 -14.585 1.408) 15.567 8.188 ( -3.697 8.739 -2.159) 9.732 9.473 ( -0.674 40.435 -1.757) 40.478 15.260 ( 0.093 -31.572 7.103) 32.361 17.562 ( -0.425 -5.158 -0.044) 5.175 18.192 ( -1.355 12.684 -1.659) 12.863 19.702 ( 6.533 -15.676 -10.454) 19.943 ======================= Grid point 1223 (546/1062) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -6.987 17.518 2.889) 19.080 4.942 ( -4.377 38.589 4.078) 39.050 5.622 ( -7.666 1.490 -7.568) 10.875 6.521 ( 3.282 8.553 -4.967) 10.421 6.934 ( -4.920 19.009 2.233) 19.762 7.811 ( -1.014 19.634 4.901) 20.262 8.332 ( -10.897 -19.876 -3.676) 22.963 8.655 ( -0.901 45.450 0.324) 45.460 15.823 ( -0.198 -24.068 6.746) 24.996 17.677 ( 0.458 -7.137 -0.970) 7.217 17.984 ( -0.954 5.725 -1.602) 6.021 19.971 ( 7.262 -13.521 -12.697) 19.919 ======================= Grid point 1224 (547/1062) ======================= q-point: (-0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -6.887 16.429 8.344) 19.672 4.132 ( -5.403 44.347 5.429) 45.003 5.478 ( -10.987 3.538 -16.086) 19.799 6.276 ( -0.561 22.219 7.727) 23.531 6.630 ( 2.324 12.464 -8.550) 15.292 7.453 ( -2.362 20.680 8.112) 22.340 7.752 ( -1.595 44.563 3.119) 44.700 8.663 ( -10.747 -21.653 -2.977) 24.356 16.107 ( -0.999 -3.323 4.802) 5.924 17.770 ( 0.921 -4.250 -3.887) 5.833 18.081 ( 0.113 -16.889 2.557) 17.082 20.180 ( 7.934 -9.771 -14.940) 19.535 ======================= Grid point 1225 (548/1062) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -5.841 15.271 14.466) 21.831 3.369 ( -7.424 36.977 11.933) 39.558 5.135 ( -12.489 13.084 -24.152) 30.174 5.764 ( -3.200 39.357 11.351) 41.086 6.241 ( 4.024 30.196 -10.948) 32.371 7.063 ( 3.445 20.899 7.468) 22.459 7.282 ( -4.888 8.133 9.634) 13.522 8.947 ( -10.521 -19.960 -3.466) 22.828 16.013 ( -1.500 12.348 3.669) 12.968 17.862 ( 1.272 -7.336 -6.010) 9.568 18.520 ( 0.637 -25.841 5.950) 26.525 20.301 ( 8.399 -4.687 -17.692) 20.137 ======================= Grid point 1226 (549/1062) ======================= q-point: (-0.15 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -5.032 13.662 19.901) 24.657 2.811 ( -10.125 25.002 21.784) 34.672 4.631 ( -10.482 17.766 -27.386) 34.285 4.866 ( -5.954 57.659 11.301) 59.056 5.634 ( 3.980 32.535 -9.974) 34.262 6.888 ( 1.071 8.914 16.053) 18.393 7.299 ( -0.068 -7.426 3.269) 8.114 9.187 ( -10.099 -16.828 -3.937) 20.017 15.738 ( -1.577 17.152 3.372) 17.551 17.986 ( 1.361 -8.033 -6.615) 10.495 18.993 ( 1.110 -19.518 5.378) 20.276 20.315 ( 7.700 -0.170 -19.677) 21.131 ======================= Grid point 1227 (550/1062) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -6.455 13.147 21.768) 26.237 2.487 ( -11.103 17.259 30.817) 37.025 3.799 ( -6.861 54.245 14.197) 56.490 4.141 ( -9.039 14.389 -25.461) 30.611 5.029 ( 4.235 31.343 -11.220) 33.559 6.861 ( 0.031 4.090 19.318) 19.746 7.564 ( 3.209 -19.362 0.320) 19.629 9.360 ( -9.875 -12.684 -4.664) 16.738 15.416 ( -1.386 17.901 1.606) 18.026 18.104 ( 1.111 -6.901 -6.231) 9.364 19.157 ( 2.883 7.847 -4.155) 9.335 20.308 ( 3.435 -5.132 -12.017) 13.510 ======================= Grid point 1228 (551/1062) ======================= q-point: (-0.05 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -7.465 10.770 21.488) 25.168 2.108 ( -9.905 32.252 25.728) 42.429 3.149 ( -11.317 16.990 33.476) 39.209 3.777 ( -4.237 6.185 -25.851) 26.916 4.497 ( 4.735 22.974 -10.784) 25.817 6.907 ( 1.157 1.502 18.934) 19.028 8.027 ( 5.330 -26.173 -7.016) 27.617 9.444 ( -9.139 -6.955 -5.266) 12.635 15.088 ( -0.886 16.190 -1.293) 16.266 18.190 ( 0.499 -4.852 -4.815) 6.854 18.733 ( 1.487 30.822 -6.136) 31.462 20.442 ( -1.080 -8.824 -0.103) 8.890 ======================= Grid point 1230 (552/1062) ======================= q-point: ( 0.05 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 15.198 -0.000 22.158) 26.869 1.809 ( -9.018 0.000 22.918) 24.629 3.222 ( 1.985 -0.000 -5.501) 5.848 3.540 ( -3.281 0.000 17.180) 17.490 4.260 ( 5.589 -0.000 -9.197) 10.761 7.200 ( 5.507 -0.000 12.505) 13.664 8.100 ( -6.013 0.000 -14.827) 16.000 9.465 ( 10.325 -0.000 -4.714) 11.350 14.891 ( 0.137 -0.000 -0.782) 0.794 18.210 ( -2.488 0.000 -2.060) 3.230 18.368 ( 0.514 -0.000 2.157) 2.217 20.502 ( -4.579 0.000 4.568) 6.468 ======================= Grid point 1231 (553/1062) ======================= q-point: ( 0.10 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 16.696 -11.982 23.380) 31.128 2.318 ( -4.512 -41.738 20.687) 46.801 3.241 ( 7.835 -5.921 -22.447) 24.501 3.619 ( -4.423 -1.854 24.876) 25.334 4.458 ( 4.638 -20.200 -8.833) 22.529 7.307 ( 6.028 -0.845 9.867) 11.594 7.818 ( -5.593 15.378 -8.919) 18.636 9.469 ( 12.197 6.752 -4.233) 14.569 15.046 ( -0.373 -15.467 -0.726) 15.488 18.097 ( -1.561 6.010 -3.002) 6.897 18.663 ( -0.783 -24.439 -1.723) 24.512 20.370 ( -4.674 12.355 3.500) 13.665 ======================= Grid point 1232 (554/1062) ======================= q-point: ( 0.15 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 12.188 -17.381 24.231) 32.214 3.096 ( 6.042 -23.880 20.570) 32.092 3.345 ( 3.820 -10.290 -22.859) 25.358 3.954 ( -0.840 -36.489 8.712) 37.524 4.919 ( 2.555 -29.679 -6.748) 30.544 7.356 ( 0.213 6.689 1.130) 6.787 7.546 ( 1.969 3.827 2.521) 4.988 9.376 ( 12.654 12.171 -2.876) 17.791 15.376 ( -1.252 -20.103 0.759) 20.157 17.948 ( -1.130 7.416 -3.738) 8.382 19.080 ( -1.534 -20.872 -3.008) 21.144 20.029 ( -4.482 21.008 -0.607) 21.490 ======================= Grid point 1233 (555/1062) ======================= q-point: ( 0.20 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 3.459 -16.940 17.458) 24.570 3.428 ( 4.836 -12.053 -23.001) 26.415 3.575 ( 13.173 -11.919 22.882) 28.969 4.911 ( 1.442 -58.196 -1.978) 58.247 5.469 ( 0.637 -30.798 -3.418) 30.994 7.190 ( -2.923 4.133 -2.684) 5.730 7.659 ( 5.991 -5.567 6.475) 10.431 9.198 ( 12.989 16.945 -2.063) 21.450 15.735 ( -1.598 -19.244 2.134) 19.427 17.785 ( -0.602 7.416 -3.598) 8.265 19.261 ( -1.784 8.277 8.202) 11.788 19.621 ( -4.403 8.765 -13.378) 16.589 ======================= Grid point 1234 (556/1062) ======================= q-point: ( 0.25 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -4.831 -10.741 -5.719) 13.093 3.726 ( 3.718 -25.155 -3.032) 25.609 4.033 ( 19.984 -12.877 17.798) 29.697 5.853 ( 5.430 -34.707 -11.837) 37.070 6.033 ( -1.695 -37.256 6.092) 37.789 7.224 ( -2.895 -13.856 -2.070) 14.306 7.863 ( 5.496 -8.641 5.436) 11.594 8.943 ( 12.892 20.828 -1.862) 24.565 16.057 ( -1.513 -15.683 2.798) 16.002 17.649 ( 0.030 5.189 -3.082) 6.035 18.807 ( -2.574 32.866 4.815) 33.317 19.563 ( -3.368 -2.823 -9.936) 10.865 ======================= Grid point 1235 (557/1062) ======================= q-point: ( 0.30 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( -8.241 -10.290 -15.574) 20.405 4.306 ( 7.509 -30.835 3.844) 31.968 4.504 ( 16.289 -15.013 16.063) 27.363 6.172 ( 3.516 -8.081 -5.574) 10.428 6.729 ( 1.873 -30.745 0.661) 30.809 7.666 ( -1.829 -34.364 -2.782) 34.525 8.115 ( 4.330 -12.754 5.725) 14.636 8.636 ( 11.512 21.099 -2.525) 24.167 16.276 ( -1.780 -6.355 3.466) 7.454 17.577 ( 0.661 1.272 -2.763) 3.113 18.228 ( -1.810 27.482 1.034) 27.561 19.481 ( -3.087 5.231 -5.560) 8.234 ======================= Grid point 1236 (558/1062) ======================= q-point: ( 0.35 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( -9.496 -12.643 -16.654) 22.965 4.828 ( 18.893 -8.206 16.698) 26.516 5.113 ( 2.734 -39.539 2.349) 39.703 6.247 ( 3.171 -0.882 -2.902) 4.388 7.187 ( 4.455 -16.497 0.614) 17.099 8.143 ( 0.675 -16.846 -4.819) 17.535 8.254 ( 8.748 16.527 3.840) 19.090 8.682 ( 1.194 -34.127 -0.591) 34.153 16.201 ( -3.003 16.153 2.990) 16.699 17.587 ( 1.253 -2.789 -2.696) 4.076 17.902 ( -0.022 5.610 0.395) 5.624 19.281 ( -2.839 11.567 -2.749) 12.223 ======================= Grid point 1237 (559/1062) ======================= q-point: ( 0.40 0.05 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( -9.707 -14.725 -15.135) 23.240 5.126 ( 15.286 -2.056 14.931) 21.467 5.903 ( 3.055 -42.111 0.423) 42.224 6.256 ( 2.409 0.503 -0.683) 2.554 7.354 ( 12.291 7.871 4.282) 15.210 8.112 ( 0.210 0.260 1.070) 1.121 8.343 ( -0.305 -9.210 -5.539) 10.752 9.385 ( 1.012 -37.491 0.085) 37.504 15.713 ( -3.455 32.413 0.822) 32.607 17.665 ( 1.721 -5.395 -2.347) 6.130 17.990 ( 0.908 -11.265 1.500) 11.401 19.011 ( -2.561 14.153 -0.518) 14.392 ======================= Grid point 1238 (560/1062) ======================= q-point: ( 0.45 0.05 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( -9.102 -14.710 -12.621) 21.413 5.274 ( 10.293 3.119 8.922) 13.974 6.227 ( 2.736 1.361 -2.483) 3.938 6.698 ( 2.228 -37.825 3.924) 38.093 7.221 ( 15.365 17.947 10.078) 25.686 8.208 ( -4.564 -8.870 0.295) 9.979 8.443 ( -1.469 -6.136 -7.261) 9.619 10.008 ( 1.171 -29.139 -0.146) 29.163 15.073 ( -2.957 33.008 -0.359) 33.142 17.759 ( 1.819 -3.577 -2.816) 4.903 18.247 ( 0.724 -13.443 2.104) 13.626 18.762 ( -1.896 9.737 1.394) 10.017 ======================= Grid point 1239 (561/1062) ======================= q-point: ( 0.50 0.05 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.591 ( -7.511 -10.461 -9.778) 16.170 5.258 ( 5.527 7.708 3.239) 10.023 6.205 ( 1.786 1.659 -1.577) 2.903 7.123 ( 12.451 9.812 13.796) 21.015 7.332 ( 1.937 -26.166 3.658) 26.492 8.285 ( -6.442 -2.771 0.290) 7.018 8.491 ( -0.730 -4.628 -8.327) 9.554 10.441 ( 0.988 -17.016 -0.483) 17.052 14.522 ( -2.186 23.514 0.020) 23.615 17.755 ( 0.632 4.362 -1.301) 4.596 18.452 ( 0.177 -7.781 -1.988) 8.033 18.711 ( 0.120 -4.302 3.833) 5.763 ======================= Grid point 1240 (562/1062) ======================= q-point: (-0.45 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.608 ( -4.833 -0.043 -6.737) 8.292 5.163 ( 1.457 5.224 1.841) 5.727 6.184 ( 0.955 1.013 -1.397) 1.972 7.180 ( 6.996 -0.438 12.180) 14.053 7.671 ( -0.061 -8.256 0.946) 8.310 8.186 ( -7.270 7.785 -1.042) 10.703 8.529 ( 1.085 -2.592 -5.490) 6.167 10.620 ( 0.615 -1.943 -1.219) 2.375 14.235 ( -1.378 5.855 2.060) 6.358 17.633 ( -0.711 7.403 1.274) 7.545 18.543 ( -0.059 -3.977 -4.130) 5.734 18.886 ( 2.071 -10.747 1.278) 11.019 ======================= Grid point 1241 (563/1062) ======================= q-point: (-0.40 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.442 ( -2.359 12.331 -2.968) 12.901 5.147 ( -1.898 -2.492 2.604) 4.073 6.166 ( 0.305 1.135 -1.294) 1.748 7.329 ( 0.522 -6.450 5.546) 8.522 7.642 ( -1.948 9.295 -5.014) 10.739 7.898 ( -6.411 15.583 1.138) 16.888 8.526 ( 1.857 3.248 -1.361) 3.981 10.502 ( 0.186 14.246 -2.221) 14.419 14.322 ( -0.663 -14.024 5.124) 14.945 17.527 ( -1.038 3.891 2.318) 4.646 18.535 ( -0.832 3.247 -2.493) 4.178 19.128 ( 3.852 -14.135 -5.206) 15.548 ======================= Grid point 1242 (564/1062) ======================= q-point: (-0.35 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( -1.457 19.032 1.572) 19.153 5.222 ( -4.187 -5.877 2.452) 7.621 6.109 ( -0.352 5.990 -1.187) 6.117 7.138 ( -1.480 26.544 -8.803) 28.005 7.522 ( -10.650 -0.892 -11.242) 15.512 7.672 ( -0.107 2.015 13.868) 14.014 8.411 ( 1.377 10.655 1.081) 10.798 10.093 ( -0.203 28.808 -2.747) 28.940 14.743 ( -0.183 -27.627 7.787) 28.704 17.503 ( -0.685 -0.888 1.744) 2.073 18.391 ( -1.272 10.155 -1.858) 10.402 19.404 ( 4.966 -16.067 -10.167) 19.651 ======================= Grid point 1243 (565/1062) ======================= q-point: (-0.30 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -1.352 20.460 6.506) 21.512 5.264 ( -6.298 0.220 0.741) 6.345 5.825 ( -1.970 24.589 -3.395) 24.901 6.670 ( 0.561 14.038 -9.803) 17.131 7.241 ( -7.102 15.635 -0.305) 17.175 7.876 ( -5.532 -16.399 1.760) 17.396 8.176 ( 0.216 16.513 2.926) 16.772 9.445 ( -0.442 39.970 -2.184) 40.032 15.337 ( -0.105 -31.317 9.135) 32.622 17.559 ( -0.031 -4.904 0.284) 4.912 18.154 ( -1.210 12.622 -2.231) 12.875 19.686 ( 5.529 -16.057 -13.179) 21.496 ======================= Grid point 1244 (566/1062) ======================= q-point: (-0.25 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -0.944 19.466 11.733) 22.748 4.900 ( -5.033 37.516 2.187) 37.915 5.412 ( -6.500 7.630 -12.289) 15.858 6.510 ( 1.928 4.317 -6.476) 8.018 6.886 ( -4.136 18.254 2.422) 18.873 7.852 ( -0.686 20.245 6.189) 21.181 8.150 ( -7.783 -17.678 -2.951) 19.540 8.646 ( -0.438 44.299 -0.093) 44.301 15.889 ( -0.581 -22.353 8.485) 23.917 17.676 ( 0.683 -6.860 -1.146) 6.989 17.955 ( -0.743 4.173 -1.762) 4.590 19.941 ( 5.770 -14.104 -15.205) 21.527 ======================= Grid point 1245 (567/1062) ======================= q-point: (-0.20 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.224 17.864 17.003) 24.663 4.108 ( -4.361 43.071 5.591) 43.651 5.143 ( -9.559 9.231 -20.321) 24.280 6.338 ( -0.887 19.096 6.943) 20.338 6.574 ( 2.162 13.084 -10.069) 16.651 7.509 ( -1.766 19.640 10.153) 22.179 7.756 ( -1.381 41.396 2.463) 41.492 8.495 ( -6.588 -19.271 -3.268) 20.626 16.138 ( -1.331 -1.414 5.733) 6.053 17.743 ( 0.771 -3.213 -4.532) 5.609 18.113 ( 0.271 -19.833 3.414) 20.127 20.135 ( 5.712 -10.221 -17.231) 20.833 ======================= Grid point 1246 (568/1062) ======================= q-point: (-0.15 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 1.780 16.622 21.438) 27.185 3.388 ( -5.354 35.286 13.092) 38.015 4.729 ( -9.481 15.362 -25.571) 31.301 5.819 ( -2.517 42.000 9.733) 43.187 6.185 ( 3.412 27.783 -13.290) 30.986 7.181 ( 3.143 16.958 5.993) 18.259 7.312 ( -3.918 8.819 11.823) 15.261 8.783 ( -5.640 -18.693 -4.069) 19.945 16.025 ( -1.639 12.830 3.954) 13.525 17.821 ( 0.882 -7.067 -6.230) 9.462 18.589 ( 0.441 -26.745 6.978) 27.644 20.229 ( 5.062 -4.723 -19.826) 21.000 ======================= Grid point 1247 (569/1062) ======================= q-point: (-0.10 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 2.624 16.862 23.369) 28.937 2.894 ( -6.707 22.676 23.523) 33.355 4.236 ( -6.689 16.923 -27.808) 33.232 4.883 ( -4.011 58.695 8.544) 59.450 5.597 ( 3.136 32.163 -9.821) 33.775 7.051 ( 1.645 6.993 14.234) 15.944 7.331 ( 0.062 -7.534 3.383) 8.259 9.038 ( -3.792 -15.202 -4.190) 16.219 15.743 ( -1.670 17.506 3.081) 17.853 17.939 ( 0.720 -8.169 -6.626) 10.543 19.064 ( 0.709 -18.008 6.522) 19.166 20.205 ( 2.858 -0.916 -20.708) 20.924 ======================= Grid point 1248 (570/1062) ======================= q-point: (-0.05 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 3.070 18.197 22.711) 29.263 2.640 ( -6.911 17.327 30.887) 36.083 3.761 ( -0.797 25.877 -21.340) 33.550 3.875 ( -7.542 38.136 8.170) 39.724 4.989 ( 3.532 31.215 -10.190) 33.025 7.049 ( 2.154 3.331 16.904) 17.364 7.590 ( 0.941 -19.392 -1.872) 19.505 9.235 ( -0.923 -10.434 -4.000) 11.213 15.406 ( -1.468 18.889 0.952) 18.970 18.057 ( 0.238 -7.256 -5.934) 9.376 19.153 ( 1.428 13.071 -4.029) 13.752 20.220 ( -1.473 -10.355 -8.775) 13.653 ======================= Grid point 1251 (571/1062) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -7.236 0.000 20.959) 22.173 2.000 ( 20.629 -0.000 24.277) 31.858 3.161 ( 11.699 -0.000 -26.617) 29.075 3.733 ( -3.434 0.000 31.890) 32.075 4.263 ( 5.926 -0.000 -9.226) 10.966 7.389 ( 6.852 -0.000 6.465) 9.420 7.863 ( -8.225 0.000 -11.164) 13.867 9.624 ( 15.360 -0.000 -4.796) 16.091 14.891 ( 0.561 -0.000 -0.391) 0.684 18.150 ( -3.347 0.000 -1.021) 3.500 18.396 ( 0.836 -0.000 1.494) 1.712 20.470 ( -5.154 0.000 4.833) 7.066 ======================= Grid point 1252 (572/1062) ======================= q-point: ( 0.15 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 6.242 -17.575 23.981) 30.380 2.486 ( 4.426 -36.522 19.915) 41.833 3.159 ( 13.955 -3.285 -29.564) 32.856 3.832 ( 2.015 1.737 24.855) 24.997 4.454 ( 4.686 -19.184 -7.266) 21.043 7.452 ( 3.570 1.962 0.817) 4.154 7.660 ( -4.050 7.864 -4.727) 10.029 9.656 ( 15.819 7.467 -2.850) 17.723 15.039 ( -0.001 -14.672 -0.076) 14.672 18.045 ( -2.248 6.008 -1.726) 6.643 18.639 ( -0.823 -21.070 -0.714) 21.098 20.329 ( -5.114 13.142 3.780) 14.600 ======================= Grid point 1253 (573/1062) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 1.753 -11.558 20.203) 23.341 3.211 ( 8.067 -6.703 -21.634) 24.043 3.426 ( 8.608 -40.066 19.982) 45.592 4.072 ( 9.641 -21.796 5.428) 24.444 4.906 ( 2.589 -28.751 -4.225) 29.175 7.278 ( -5.178 9.491 -5.474) 12.118 7.653 ( 6.157 -2.591 2.725) 7.214 9.580 ( 15.474 13.227 -0.799) 20.372 15.367 ( -1.003 -20.068 1.117) 20.124 17.899 ( -1.485 7.221 -2.200) 7.693 19.025 ( -2.328 -21.192 -2.276) 21.441 19.962 ( -4.729 23.607 1.330) 24.113 ======================= Grid point 1254 (574/1062) ======================= q-point: ( 0.25 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( -3.949 -7.274 -3.812) 9.113 3.370 ( 2.218 -14.497 -0.500) 14.674 4.088 ( 24.879 -12.773 20.066) 34.421 4.921 ( 4.214 -56.644 -4.894) 57.011 5.460 ( 0.829 -30.882 -0.688) 30.901 7.099 ( -4.384 2.252 -4.653) 6.778 7.790 ( 5.799 -5.833 1.609) 8.381 9.409 ( 14.943 18.252 0.234) 23.590 15.731 ( -1.401 -19.504 1.965) 19.652 17.748 ( -0.735 6.972 -1.972) 7.283 19.294 ( -2.856 -4.220 5.342) 7.383 19.446 ( -4.524 21.680 -7.827) 23.489 ======================= Grid point 1255 (575/1062) ======================= q-point: ( 0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( -6.142 -6.022 -15.174) 17.443 3.777 ( 0.569 -26.769 5.501) 27.335 4.580 ( 26.746 -9.494 17.983) 33.599 5.843 ( 6.062 -33.760 -9.087) 35.483 6.064 ( -0.859 -38.910 4.910) 39.228 7.141 ( -4.216 -15.217 -3.966) 16.280 7.967 ( 4.204 -8.736 0.438) 9.705 9.152 ( 14.222 22.529 0.771) 26.654 16.058 ( -1.277 -15.968 1.983) 16.141 17.627 ( 0.026 4.745 -1.497) 4.976 18.789 ( -3.250 33.615 1.008) 33.787 19.445 ( -3.624 -4.145 -3.397) 6.469 ======================= Grid point 1256 (576/1062) ======================= q-point: ( 0.35 0.10 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -7.202 -8.515 -15.518) 19.110 4.384 ( 1.370 -36.009 3.566) 36.211 5.007 ( 23.852 -6.322 17.553) 30.282 6.189 ( 4.087 -8.334 -3.697) 9.991 6.754 ( 1.570 -31.008 -0.750) 31.057 7.598 ( -3.068 -36.024 -3.612) 36.334 8.194 ( 2.089 -14.810 0.487) 14.964 8.825 ( 13.112 25.013 1.338) 28.273 16.273 ( -1.553 -5.903 1.287) 6.238 17.570 ( 0.689 1.085 -1.042) 1.655 18.201 ( -1.973 26.246 -0.391) 26.323 19.402 ( -3.326 4.681 -0.735) 5.789 ======================= Grid point 1257 (577/1062) ======================= q-point: ( 0.40 0.10 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -7.310 -11.611 -13.174) 19.021 5.113 ( 3.688 -37.314 3.521) 37.661 5.346 ( 18.361 -6.247 14.721) 24.348 6.272 ( 3.141 -0.954 -2.535) 4.147 7.242 ( 2.788 -21.555 -0.479) 21.740 8.072 ( -2.157 -16.794 -6.435) 18.113 8.459 ( 11.074 22.038 5.033) 25.172 8.693 ( 0.663 -34.982 -0.284) 34.989 16.165 ( -2.793 17.370 -0.791) 17.611 17.589 ( 1.193 -2.734 -0.974) 3.137 17.908 ( 0.174 3.472 0.740) 3.555 19.230 ( -2.913 11.164 1.279) 11.608 ======================= Grid point 1258 (578/1062) ======================= q-point: ( 0.45 0.10 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -6.811 -13.982 -10.149) 18.572 5.478 ( 13.839 2.329 10.381) 17.456 5.973 ( 4.605 -40.175 2.436) 40.512 6.285 ( 1.867 -0.415 -0.452) 1.965 7.553 ( 8.302 -4.988 3.148) 10.184 8.134 ( 0.120 6.738 1.640) 6.936 8.287 ( 0.973 -3.218 -5.303) 6.279 9.403 ( 0.864 -37.605 0.753) 37.623 15.652 ( -3.189 32.216 -2.445) 32.465 17.667 ( 1.638 -5.196 -2.725) 6.092 18.027 ( 1.075 -11.732 3.084) 12.178 18.984 ( -2.477 13.781 3.094) 14.340 ======================= Grid point 1259 (579/1062) ======================= q-point: ( 0.50 0.10 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( -5.793 -14.393 -7.023) 17.031 5.496 ( 9.382 8.941 4.851) 13.838 6.246 ( 3.107 1.633 -2.852) 4.523 6.780 ( 2.452 -37.241 5.941) 37.791 7.539 ( 12.927 15.545 9.453) 22.318 8.135 ( -5.583 -6.868 1.060) 8.914 8.346 ( -1.240 -5.870 -8.073) 10.058 10.027 ( 1.129 -28.861 0.510) 28.887 15.015 ( -2.744 31.910 -2.497) 32.124 17.754 ( 1.634 -3.593 -4.001) 5.620 18.283 ( 0.757 -11.757 2.891) 12.131 18.764 ( -1.599 8.611 4.695) 9.938 ======================= Grid point 1260 (580/1062) ======================= q-point: ( 0.55 0.10 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( -4.001 -10.976 -3.772) 12.276 5.367 ( 5.308 12.041 1.169) 13.211 6.217 ( 1.945 2.173 -1.826) 3.441 7.391 ( 3.859 -4.899 3.305) 7.058 7.407 ( 6.373 -7.106 9.892) 13.746 8.179 ( -7.667 -1.525 1.206) 7.909 8.424 ( 1.554 -6.483 -6.520) 9.324 10.454 ( 1.051 -16.321 -0.013) 16.355 14.484 ( -2.078 21.718 -1.007) 21.841 17.749 ( 0.484 3.798 -1.829) 4.243 18.436 ( 0.138 -4.966 -1.624) 5.227 18.759 ( 0.362 -5.405 5.194) 7.505 ======================= Grid point 1261 (581/1062) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( -1.187 -1.343 -0.076) 1.794 5.200 ( 1.554 8.177 0.767) 8.358 6.187 ( 1.099 1.534 -1.392) 2.345 7.305 ( -0.413 3.732 0.123) 3.757 7.696 ( 2.350 -3.989 2.523) 5.273 8.073 ( -6.790 7.499 1.724) 10.262 8.528 ( 3.089 -4.152 -1.716) 5.452 10.620 ( 0.744 -0.931 -1.046) 1.586 14.233 ( -1.363 3.541 2.122) 4.347 17.637 ( -0.560 6.971 1.664) 7.189 18.505 ( 0.066 -3.675 -3.999) 5.431 18.925 ( 1.763 -9.194 0.576) 9.380 ======================= Grid point 1262 (582/1062) ======================= q-point: (-0.35 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.442 ( 1.680 11.872 4.376) 12.764 5.133 ( -1.939 -0.429 1.078) 2.259 6.162 ( 0.606 1.536 -1.006) 1.934 7.240 ( -8.676 -2.183 -10.182) 13.554 7.576 ( -0.370 17.486 -6.422) 18.632 7.892 ( -0.983 9.230 10.824) 14.259 8.564 ( 2.699 3.364 1.341) 4.517 10.485 ( 0.345 15.164 -2.325) 15.346 14.364 ( -0.721 -16.086 6.047) 17.200 17.539 ( -0.618 3.995 3.064) 5.073 18.498 ( -0.700 3.096 -2.800) 4.233 19.126 ( 3.156 -12.594 -6.837) 14.673 ======================= Grid point 1263 (583/1062) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 3.217 19.903 9.254) 22.183 5.161 ( -4.589 -3.772 -0.512) 5.962 6.102 ( 0.375 6.925 -0.459) 6.950 6.997 ( -5.059 22.433 -11.586) 25.750 7.238 ( -9.161 1.624 -13.847) 16.683 7.819 ( 2.019 5.649 13.768) 15.019 8.455 ( 1.674 11.253 2.549) 11.659 10.065 ( 0.001 29.133 -2.995) 29.287 14.819 ( -0.363 -28.709 9.204) 30.151 17.516 ( -0.175 -0.287 2.393) 2.416 18.352 ( -1.101 10.307 -2.273) 10.612 19.368 ( 3.915 -15.557 -12.237) 20.176 ======================= Grid point 1264 (584/1062) ======================= q-point: (-0.25 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 4.137 21.670 14.116) 26.191 5.136 ( -7.416 1.825 -4.695) 8.965 5.784 ( -0.157 29.402 -2.264) 29.489 6.573 ( -0.639 10.040 -10.604) 14.617 7.078 ( -9.052 5.017 -6.262) 12.096 7.867 ( -0.534 -5.371 6.002) 8.072 8.218 ( 0.718 16.865 3.797) 17.302 9.419 ( -0.165 39.460 -2.442) 39.536 15.426 ( -0.474 -31.088 10.765) 32.902 17.566 ( 0.387 -4.327 0.540) 4.378 18.113 ( -0.961 12.547 -2.773) 12.886 19.628 ( 4.083 -16.175 -14.992) 22.429 ======================= Grid point 1265 (585/1062) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 5.394 20.410 18.686) 28.193 4.812 ( -7.076 29.397 -2.027) 30.305 5.214 ( -3.036 20.277 -12.735) 24.136 6.459 ( 0.550 1.171 -8.305) 8.405 6.847 ( -3.626 13.806 2.294) 14.457 7.894 ( -1.642 18.013 6.040) 19.069 8.054 ( -1.625 -10.745 -1.395) 10.956 8.640 ( -0.032 42.669 -0.384) 42.671 15.963 ( -1.065 -20.410 9.893) 22.707 17.675 ( 0.875 -5.688 -1.789) 6.026 17.929 ( -0.508 1.826 -1.560) 2.455 19.867 ( 3.860 -14.273 -16.529) 22.177 ======================= Grid point 1266 (586/1062) ======================= q-point: (-0.15 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 7.093 18.631 22.406) 29.991 4.097 ( -3.826 39.777 5.268) 40.307 4.811 ( -7.231 13.979 -22.224) 27.232 6.360 ( -0.803 10.820 -0.498) 10.862 6.530 ( 1.922 20.106 -4.647) 20.725 7.583 ( -0.948 17.672 10.037) 20.346 7.757 ( -1.301 37.580 2.351) 37.676 8.404 ( -1.065 -15.772 -3.482) 16.187 16.172 ( -1.611 0.624 6.392) 6.621 17.709 ( 0.672 -2.370 -5.009) 5.582 18.152 ( 0.176 -22.465 4.041) 22.827 20.037 ( 3.200 -9.894 -18.090) 20.866 ======================= Grid point 1267 (587/1062) ======================= q-point: (-0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 8.766 18.075 24.349) 31.566 3.445 ( -3.536 32.019 13.635) 34.980 4.363 ( -6.398 16.275 -26.287) 31.572 5.867 ( -1.446 44.837 7.152) 45.427 6.104 ( 2.398 24.690 -13.069) 28.038 7.259 ( 2.058 13.484 1.656) 13.740 7.394 ( -1.548 9.856 15.018) 18.030 8.702 ( 0.365 -17.730 -4.520) 18.300 16.036 ( -1.724 13.476 4.004) 14.163 17.774 ( 0.549 -6.636 -6.032) 8.985 18.662 ( -0.041 -27.818 7.715) 28.868 20.093 ( 1.813 -3.610 -20.160) 20.561 ======================= Grid point 1268 (588/1062) ======================= q-point: (-0.05 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 9.873 19.841 23.869) 32.571 3.038 ( -3.322 19.094 23.667) 30.590 3.904 ( -2.737 15.274 -27.483) 31.561 4.899 ( -2.423 58.868 5.336) 59.159 5.549 ( 1.993 31.415 -8.666) 32.649 7.192 ( 2.279 1.649 7.520) 8.029 7.375 ( 0.388 -2.929 7.036) 7.631 8.994 ( 3.141 -14.857 -4.267) 15.774 15.744 ( -1.732 18.082 2.692) 18.363 17.886 ( 0.148 -8.068 -6.051) 10.087 19.136 ( 0.049 -16.013 7.482) 17.675 20.029 ( -0.947 -1.680 -19.412) 19.507 ======================= Grid point 1272 (589/1062) ======================= q-point: ( 0.15 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -5.905 0.000 18.756) 19.664 2.502 ( 10.061 -0.000 26.201) 28.066 3.120 ( 17.841 -0.000 -29.060) 34.100 4.027 ( 6.316 -0.000 27.473) 28.189 4.271 ( 6.213 -0.000 -9.210) 11.110 7.487 ( 0.365 -0.000 -5.058) 5.072 7.678 ( -2.544 0.000 -3.210) 4.096 9.845 ( 17.084 -0.000 -2.153) 17.219 14.901 ( 0.892 -0.000 0.093) 0.897 18.090 ( -3.710 0.000 0.012) 3.710 18.422 ( 1.081 -0.000 0.671) 1.272 20.430 ( -5.598 0.000 4.154) 6.971 ======================= Grid point 1273 (590/1062) ======================= q-point: ( 0.20 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -3.448 -36.572 17.546) 40.710 2.731 ( -0.864 -13.736 13.431) 19.231 3.168 ( 16.992 -2.833 -16.944) 24.163 4.166 ( 16.813 2.577 14.336) 22.245 4.477 ( 5.489 -18.311 -2.573) 19.288 7.354 ( -7.244 6.780 -9.261) 13.572 7.682 ( 5.490 -0.324 0.762) 5.552 9.899 ( 16.771 7.757 -0.038) 18.478 15.044 ( 0.301 -13.882 0.604) 13.898 17.997 ( -2.579 5.683 -0.413) 6.254 18.623 ( -0.638 -18.066 -0.494) 18.084 20.279 ( -5.533 13.348 3.121) 14.782 ======================= Grid point 1274 (591/1062) ======================= q-point: ( 0.25 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -3.432 -3.910 -2.001) 5.574 3.210 ( 2.964 -8.998 2.854) 9.894 3.658 ( 1.825 -54.457 10.787) 55.545 4.416 ( 27.015 -7.384 4.420) 28.353 4.932 ( 4.486 -26.854 0.043) 27.226 7.122 ( -6.656 6.794 -7.662) 12.213 7.758 ( 5.939 -2.822 -0.673) 6.609 9.830 ( 15.807 13.966 1.454) 21.143 15.365 ( -0.762 -19.682 1.518) 19.755 17.862 ( -1.590 6.865 -0.592) 7.071 18.967 ( -2.579 -19.785 -1.771) 20.030 19.903 ( -5.003 24.135 1.878) 24.719 ======================= Grid point 1275 (592/1062) ======================= q-point: ( 0.30 0.15 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -4.158 -2.356 -14.158) 14.942 3.435 ( -0.790 -14.321 9.555) 17.234 4.650 ( 18.600 -25.301 20.345) 37.417 4.976 ( 13.431 -44.338 -8.254) 47.057 5.492 ( 3.172 -29.843 2.375) 30.105 6.968 ( -5.408 0.355 -7.004) 8.856 7.867 ( 4.429 -5.327 -2.018) 7.215 9.654 ( 14.662 19.084 1.998) 24.149 15.729 ( -1.165 -19.470 1.759) 19.584 17.726 ( -0.708 6.504 -0.294) 6.549 19.232 ( -3.746 -9.704 -6.366) 12.195 19.374 ( -4.147 27.425 5.603) 28.297 ======================= Grid point 1276 (593/1062) ======================= q-point: ( 0.35 0.15 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -4.850 -4.440 -14.499) 15.920 3.837 ( -0.474 -26.132 6.923) 27.037 5.163 ( 26.468 -7.828 16.245) 32.028 5.870 ( 6.390 -34.663 -5.957) 35.747 6.105 ( 1.259 -37.007 4.073) 37.252 7.018 ( -5.384 -16.971 -6.232) 18.864 8.003 ( 2.102 -8.180 -2.832) 8.908 9.386 ( 13.508 23.209 2.357) 26.957 16.055 ( -0.996 -15.828 1.066) 15.895 17.622 ( 0.109 4.323 0.109) 4.326 18.730 ( -3.365 32.245 -2.382) 32.507 19.385 ( -3.705 -3.768 2.223) 5.733 ======================= Grid point 1277 (594/1062) ======================= q-point: ( 0.40 0.15 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -4.681 -7.824 -11.054) 14.329 4.437 ( 0.780 -36.157 4.442) 36.437 5.532 ( 23.205 -3.127 14.844) 27.723 6.222 ( 3.837 -7.235 -2.973) 8.713 6.772 ( 2.263 -30.383 -1.220) 30.492 7.506 ( -3.911 -37.657 -4.097) 38.081 8.200 ( -0.057 -15.960 -1.953) 16.079 9.048 ( 12.228 25.896 3.022) 28.797 16.253 ( -1.244 -4.511 -0.849) 4.756 17.579 ( 0.747 0.802 0.605) 1.252 18.163 ( -1.802 23.978 -1.178) 24.074 19.362 ( -3.278 4.429 3.089) 6.317 ======================= Grid point 1278 (595/1062) ======================= q-point: ( 0.45 0.15 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -3.894 -10.884 -6.934) 13.480 5.181 ( 1.852 -40.740 3.619) 40.942 5.769 ( 18.008 1.224 11.952) 21.649 6.290 ( 2.888 -1.069 -3.624) 4.755 7.275 ( 2.100 -23.797 -0.203) 23.890 7.969 ( -3.149 -16.500 -5.749) 17.755 8.672 ( 10.204 25.782 4.149) 28.037 8.698 ( -0.109 -37.690 0.617) 37.695 16.103 ( -2.348 18.871 -3.788) 19.390 17.604 ( 1.093 -2.034 0.201) 2.318 17.923 ( 0.420 0.702 1.405) 1.626 19.213 ( -2.712 10.800 4.445) 11.990 ======================= Grid point 1279 (596/1062) ======================= q-point: ( 0.50 0.15 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -2.799 -13.058 -3.224) 13.738 5.712 ( 7.563 -0.459 2.596) 8.009 6.112 ( 8.064 -32.738 6.314) 34.303 6.306 ( 2.004 -0.812 -1.118) 2.434 7.660 ( 2.434 -15.193 1.722) 15.483 8.118 ( -1.357 -4.747 -1.307) 5.107 8.314 ( 5.071 18.420 0.100) 19.106 9.425 ( 0.676 -37.904 1.376) 37.935 15.572 ( -2.697 31.875 -4.781) 32.345 17.666 ( 1.469 -4.250 -2.667) 5.228 18.078 ( 1.133 -12.210 3.919) 12.874 18.990 ( -2.128 13.349 5.841) 14.725 ======================= Grid point 1280 (597/1062) ======================= q-point: ( 0.55 0.15 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( -1.408 -13.626 0.059) 13.699 5.635 ( 5.506 11.134 -0.978) 12.460 6.277 ( 4.029 2.951 -2.120) 5.425 6.887 ( 3.203 -36.423 7.369) 37.298 7.764 ( 5.647 12.867 4.514) 14.759 8.068 ( -4.609 -1.480 3.193) 5.799 8.276 ( 1.536 -7.494 -5.592) 9.476 10.052 ( 1.074 -28.653 1.095) 28.694 14.944 ( -2.390 30.652 -3.988) 31.003 17.737 ( 1.329 -3.298 -4.370) 5.634 18.323 ( 0.637 -9.727 3.317) 10.297 18.798 ( -1.048 7.554 6.717) 10.163 ======================= Grid point 1281 (598/1062) ======================= q-point: (-0.40 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( 0.515 -10.977 3.308) 11.476 5.431 ( 3.055 13.202 -2.056) 13.706 6.234 ( 2.360 3.188 -1.525) 4.250 7.421 ( 0.016 -1.151 -1.827) 2.160 7.566 ( 2.701 -4.940 6.018) 8.241 8.090 ( -6.122 -0.940 3.891) 7.315 8.430 ( 4.504 -7.884 -1.873) 9.271 10.473 ( 1.099 -15.597 0.388) 15.640 14.440 ( -1.898 19.666 -1.684) 19.829 17.736 ( 0.345 2.669 -2.347) 3.571 18.430 ( 0.042 -2.439 0.142) 2.443 18.814 ( 0.602 -5.001 4.713) 6.898 ======================= Grid point 1282 (599/1062) ======================= q-point: (-0.35 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( 3.173 -2.405 6.919) 7.983 5.220 ( 0.784 9.686 -0.659) 9.741 6.192 ( 1.207 2.087 -1.303) 2.740 7.178 ( -7.606 8.755 -10.709) 15.786 7.750 ( 0.872 1.777 -0.682) 2.093 8.050 ( -1.575 3.572 9.154) 9.951 8.583 ( 3.975 -4.341 1.051) 5.979 10.623 ( 0.851 0.172 -0.909) 1.257 14.233 ( -1.331 0.893 2.211) 2.731 17.646 ( -0.315 5.857 1.650) 6.093 18.473 ( 0.029 -2.665 -2.740) 3.823 18.949 ( 1.450 -7.106 -0.859) 7.303 ======================= Grid point 1283 (600/1062) ======================= q-point: (-0.30 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( 5.901 11.040 11.067) 16.708 5.110 ( -1.734 2.105 0.178) 2.733 6.164 ( 0.714 1.493 -1.003) 1.935 6.940 ( -12.327 1.598 -16.290) 20.490 7.491 ( -1.505 21.038 -7.982) 22.552 8.031 ( 2.710 6.189 13.261) 14.883 8.623 ( 2.518 3.970 2.083) 5.142 10.470 ( 0.501 16.145 -2.364) 16.325 14.412 ( -0.838 -18.410 6.640) 19.589 17.565 ( -0.123 3.824 3.547) 5.218 18.462 ( -0.601 3.215 -2.549) 4.146 19.097 ( 2.302 -10.515 -8.336) 13.615 ======================= Grid point 1284 (601/1062) ======================= q-point: (-0.25 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( 7.611 19.948 15.424) 26.339 5.073 ( -4.657 0.264 -2.928) 5.507 6.110 ( 0.962 6.858 -0.068) 6.926 6.747 ( -10.442 5.911 -14.316) 18.679 7.018 ( -3.270 16.094 -12.615) 20.708 7.983 ( 3.026 7.555 12.333) 14.776 8.502 ( 1.352 11.608 2.294) 11.909 10.038 ( 0.237 29.469 -3.075) 29.630 14.902 ( -0.685 -29.972 10.036) 31.614 17.542 ( 0.347 0.446 2.914) 2.968 18.314 ( -0.863 10.590 -2.532) 10.923 19.298 ( 2.618 -14.736 -13.496) 20.153 ======================= Grid point 1285 (602/1062) ======================= q-point: (-0.20 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 8.890 21.836 19.439) 30.557 4.948 ( -8.313 5.653 -9.543) 13.861 5.773 ( 1.113 32.535 -1.698) 32.598 6.457 ( -1.520 5.861 -10.231) 11.888 6.882 ( -6.675 -3.787 -7.404) 10.664 7.946 ( 1.986 2.772 7.111) 7.886 8.263 ( 0.934 16.214 2.947) 16.506 9.395 ( 0.136 38.955 -2.497) 39.035 15.521 ( -1.009 -30.984 11.738) 33.148 17.581 ( 0.770 -3.356 0.625) 3.500 18.072 ( -0.641 12.461 -3.232) 12.889 19.534 ( 2.408 -16.047 -15.564) 22.484 ======================= Grid point 1286 (603/1062) ======================= q-point: (-0.15 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 10.326 20.406 22.604) 32.155 4.624 ( -9.308 17.814 -10.714) 22.776 5.097 ( 0.161 34.691 -7.656) 35.526 6.381 ( -0.016 -0.117 -8.647) 8.648 6.827 ( -1.258 7.492 2.173) 7.902 7.914 ( -2.020 11.970 5.111) 13.172 8.066 ( 3.358 0.155 -0.476) 3.395 8.638 ( 0.354 40.801 -0.538) 40.806 16.039 ( -1.606 -18.471 10.726) 21.420 17.668 ( 0.996 -3.507 -2.963) 4.697 17.911 ( -0.298 -1.304 -0.951) 1.641 19.755 ( 1.826 -14.038 -16.367) 21.640 ======================= Grid point 1287 (604/1062) ======================= q-point: (-0.10 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 11.802 18.737 24.392) 32.944 4.072 ( -4.280 31.560 1.159) 31.870 4.518 ( -4.131 21.021 -19.470) 28.949 6.308 ( 0.184 5.846 -8.026) 9.931 6.553 ( 2.055 25.298 1.972) 25.458 7.666 ( 1.054 16.276 7.121) 17.797 7.764 ( -1.542 33.273 4.408) 33.599 8.392 ( 3.752 -13.028 -4.089) 14.161 16.207 ( -1.812 2.655 6.636) 7.374 17.671 ( 0.629 -1.802 -5.198) 5.537 18.191 ( -0.184 -24.694 4.216) 25.052 19.901 ( 0.813 -8.936 -17.246) 19.441 ======================= Grid point 1288 (605/1062) ======================= q-point: (-0.05 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 12.729 18.992 24.234) 33.317 3.531 ( -1.046 26.705 12.442) 29.479 4.042 ( -3.654 16.711 -24.995) 30.288 5.903 ( 0.962 47.879 0.484) 47.892 6.026 ( 0.576 21.931 -7.387) 23.149 7.283 ( 0.077 12.435 0.394) 12.441 7.536 ( 2.135 9.276 13.624) 16.620 8.708 ( 5.850 -17.637 -4.684) 19.163 16.046 ( -1.742 14.259 3.826) 14.865 17.726 ( 0.294 -6.144 -5.431) 8.205 18.730 ( -0.765 -29.191 7.922) 30.257 19.916 ( -0.806 -1.767 -18.606) 18.707 ======================= Grid point 1293 (606/1062) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -5.081 0.000 16.560) 17.322 2.701 ( -2.904 0.000 5.361) 6.097 3.222 ( 14.541 -0.000 -4.753) 15.298 4.284 ( 6.414 -0.000 -9.158) 11.181 4.468 ( 22.309 -0.000 19.075) 29.352 7.304 ( -8.822 0.000 -11.492) 14.488 7.725 ( 5.532 -0.000 0.324) 5.541 10.105 ( 16.544 -0.000 1.221) 16.589 14.920 ( 1.098 -0.000 0.626) 1.264 18.036 ( -3.659 0.000 0.940) 3.778 18.442 ( 1.225 -0.000 -0.237) 1.248 20.372 ( -6.059 0.000 2.767) 6.661 ======================= Grid point 1294 (607/1062) ======================= q-point: ( 0.25 0.20 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -3.720 -36.333 12.396) 38.569 2.709 ( -2.860 -10.495 -5.427) 12.156 3.315 ( 4.890 -1.066 7.030) 8.630 4.419 ( 9.090 -12.576 -7.732) 17.337 4.773 ( 26.941 -4.138 14.181) 30.725 7.132 ( -8.646 4.755 -10.744) 14.588 7.772 ( 5.701 -0.478 -0.795) 5.776 10.164 ( 15.361 7.986 2.517) 17.495 15.059 ( 0.474 -13.145 1.211) 13.209 17.958 ( -2.563 5.133 0.815) 5.795 18.609 ( -0.407 -15.547 -0.777) 15.572 20.213 ( -5.932 13.091 1.791) 14.484 ======================= Grid point 1295 (608/1062) ======================= q-point: ( 0.30 0.20 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -2.701 -0.084 -12.299) 12.592 3.306 ( -1.781 -8.360 13.537) 16.010 3.731 ( -1.476 -57.285 6.415) 57.662 4.779 ( 13.248 -19.235 -4.518) 23.789 5.183 ( 25.199 -11.942 11.008) 29.980 6.933 ( -7.114 4.253 -9.639) 12.713 7.826 ( 4.792 -1.905 -2.402) 5.689 10.084 ( 13.861 14.424 2.798) 20.199 15.371 ( -0.583 -19.071 1.791) 19.163 17.839 ( -1.474 6.384 0.923) 6.616 18.912 ( -2.417 -17.732 -1.520) 17.960 19.838 ( -5.295 23.288 1.407) 23.924 ======================= Grid point 1296 (609/1062) ======================= q-point: ( 0.35 0.20 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -2.503 -0.813 -13.255) 13.513 3.506 ( -2.440 -13.323 10.742) 17.287 4.885 ( 0.231 -60.478 7.625) 60.957 5.242 ( 17.466 -19.648 -2.733) 26.431 5.685 ( 18.190 -18.569 9.646) 27.726 6.800 ( -6.076 -1.054 -9.676) 11.474 7.895 ( 2.697 -3.996 -3.535) 5.978 9.888 ( 12.372 19.354 2.541) 23.110 15.728 ( -0.926 -19.192 1.460) 19.270 17.721 ( -0.545 6.038 1.237) 6.188 19.111 ( -3.207 0.075 -6.902) 7.611 19.369 ( -4.592 17.361 6.943) 19.253 ======================= Grid point 1297 (610/1062) ======================= q-point: ( 0.40 0.20 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -1.884 -4.142 -9.167) 10.234 3.891 ( -1.125 -25.882 7.192) 26.886 5.653 ( 18.206 -12.275 9.943) 24.104 5.925 ( 5.851 -37.275 -3.175) 37.864 6.216 ( 8.592 -25.868 6.656) 28.059 6.861 ( -5.661 -19.735 -8.416) 22.189 7.987 ( 0.037 -7.169 -3.757) 8.094 9.602 ( 10.972 23.103 2.475) 25.695 16.047 ( -0.702 -15.299 0.171) 15.316 17.632 ( 0.277 3.937 1.491) 4.220 18.649 ( -2.947 29.899 -3.890) 30.295 19.364 ( -3.686 -3.000 5.345) 7.152 ======================= Grid point 1298 (611/1062) ======================= q-point: ( 0.45 0.20 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -0.808 -7.537 -3.646) 8.411 4.492 ( 0.364 -36.569 5.288) 36.951 5.978 ( 18.364 -1.915 9.603) 20.812 6.238 ( 2.628 -5.189 -4.997) 7.668 6.815 ( 4.152 -27.983 0.341) 28.291 7.414 ( -2.991 -38.996 -2.569) 39.195 8.166 ( -1.591 -17.575 -1.937) 17.752 9.247 ( 9.457 25.721 2.775) 27.545 16.220 ( -0.891 -2.486 -2.536) 3.661 17.603 ( 0.853 0.573 1.775) 2.051 18.126 ( -1.414 21.134 -1.242) 21.218 19.355 ( -2.981 4.139 5.602) 7.577 ======================= Grid point 1299 (612/1062) ======================= q-point: ( 0.50 0.20 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 0.432 -10.094 1.043) 10.157 5.244 ( 1.427 -40.859 4.483) 41.129 6.067 ( 7.379 4.465 3.215) 9.204 6.324 ( 8.449 -1.984 -3.030) 9.192 7.300 ( 0.440 -23.155 0.669) 23.169 7.892 ( -0.966 -16.439 -2.225) 16.617 8.697 ( -0.541 -37.285 0.610) 37.294 8.847 ( 7.275 24.538 3.572) 25.842 16.026 ( -1.788 20.405 -5.625) 21.241 17.624 ( 1.010 -0.862 0.621) 1.466 17.948 ( 0.611 -2.162 2.189) 3.137 19.227 ( -2.258 10.374 6.591) 12.497 ======================= Grid point 1300 (613/1062) ======================= q-point: ( 0.55 0.20 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 1.753 -11.959 4.513) 12.902 5.770 ( 1.897 -2.984 -4.639) 5.833 6.257 ( -1.023 -29.145 6.910) 29.970 6.383 ( 11.551 0.194 -1.107) 11.605 7.661 ( -3.557 -16.641 1.083) 17.052 8.116 ( 2.751 -9.993 -0.394) 10.372 8.405 ( 4.186 26.256 2.262) 26.684 9.450 ( 0.516 -38.313 1.917) 38.364 15.482 ( -2.120 31.563 -6.098) 32.217 17.664 ( 1.232 -2.993 -2.321) 3.983 18.133 ( 1.052 -12.436 4.074) 13.129 19.025 ( -1.515 12.858 7.576) 15.001 ======================= Grid point 1301 (614/1062) ======================= q-point: ( 0.60 0.20 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 3.245 -12.704 7.298) 15.006 5.639 ( 0.141 9.561 -7.510) 12.158 6.330 ( 4.315 4.801 -0.812) 6.506 7.012 ( 3.541 -35.225 7.652) 36.220 7.777 ( -3.839 8.155 -0.805) 9.050 8.044 ( -2.649 6.189 0.821) 6.782 8.326 ( 6.472 -7.724 2.526) 10.389 10.081 ( 1.003 -28.509 1.552) 28.568 14.868 ( -1.985 29.416 -4.799) 29.871 17.714 ( 0.913 -2.664 -4.139) 5.006 18.364 ( 0.434 -8.136 3.559) 8.891 18.854 ( -0.314 7.105 7.407) 10.269 ======================= Grid point 1302 (615/1062) ======================= q-point: (-0.35 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( 5.052 -10.761 9.935) 15.493 5.412 ( -0.666 10.743 -6.216) 12.429 6.263 ( 2.612 4.764 -0.770) 5.488 7.344 ( -4.142 17.517 -7.020) 19.320 7.624 ( -0.534 -15.693 4.008) 16.206 8.069 ( -2.739 -3.660 5.840) 7.416 8.518 ( 5.973 -6.534 2.020) 9.080 10.495 ( 1.092 -14.865 0.645) 14.919 14.395 ( -1.684 17.538 -1.995) 17.731 17.716 ( 0.152 1.326 -2.746) 3.053 18.441 ( -0.044 -0.386 2.179) 2.213 18.864 ( 0.861 -3.462 3.413) 4.937 ======================= Grid point 1303 (616/1062) ======================= q-point: (-0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.750 ( 7.141 -3.180 12.598) 14.826 5.206 ( -0.842 8.218 -2.502) 8.632 6.200 ( 1.246 3.105 -1.080) 3.516 6.916 ( -10.126 14.344 -14.001) 22.456 7.710 ( -2.349 6.511 -3.072) 7.573 8.165 ( 2.298 -1.049 11.132) 11.415 8.660 ( 3.782 -3.005 1.801) 5.156 10.629 ( 0.895 1.284 -0.860) 1.786 14.233 ( -1.294 -1.855 2.296) 3.223 17.657 ( -0.058 4.028 1.195) 4.202 18.456 ( -0.098 -0.973 -0.722) 1.215 18.953 ( 1.182 -4.606 -2.551) 5.397 ======================= Grid point 1304 (617/1062) ======================= q-point: (-0.25 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( 8.983 9.839 15.371) 20.341 5.083 ( -1.690 4.447 -0.169) 4.760 6.163 ( 0.543 0.989 -1.688) 2.031 6.584 ( -12.148 3.372 -17.268) 21.381 7.392 ( -1.603 22.474 -7.462) 23.735 8.197 ( 3.100 5.638 11.692) 13.345 8.675 ( 1.907 4.808 1.374) 5.352 10.456 ( 0.631 17.064 -2.351) 17.237 14.461 ( -1.021 -20.762 6.800) 21.871 17.601 ( 0.378 3.263 3.645) 4.907 18.433 ( -0.554 3.744 -1.739) 4.165 19.043 ( 1.439 -8.074 -9.451) 12.513 ======================= Grid point 1305 (618/1062) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 10.446 18.869 18.809) 28.617 4.954 ( -5.817 6.437 -5.782) 10.426 6.132 ( 1.887 5.594 0.213) 5.907 6.456 ( -8.811 -4.281 -13.497) 16.677 6.877 ( -1.099 22.778 -10.873) 25.264 8.136 ( 2.716 8.631 10.280) 13.695 8.537 ( 1.060 11.649 1.009) 11.741 10.015 ( 0.489 29.747 -2.967) 29.899 14.983 ( -1.142 -31.301 10.089) 32.906 17.580 ( 0.832 1.266 3.201) 3.542 18.279 ( -0.588 11.073 -2.601) 11.390 19.199 ( 1.266 -13.735 -13.674) 19.422 ======================= Grid point 1306 (619/1062) ======================= q-point: (-0.15 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( 11.801 21.051 22.000) 32.656 4.696 ( -9.824 9.495 -14.099) 19.633 5.784 ( 2.072 35.488 -1.491) 35.580 6.343 ( -1.387 1.738 -8.703) 8.982 6.760 ( -0.963 -9.784 -5.159) 11.103 8.040 ( 1.634 7.357 6.086) 9.687 8.304 ( 1.787 14.639 1.369) 14.811 9.377 ( 0.440 38.497 -2.317) 38.569 15.611 ( -1.669 -31.097 11.752) 33.285 17.601 ( 1.089 -1.895 0.471) 2.236 18.034 ( -0.286 12.315 -3.465) 12.796 19.416 ( 0.746 -15.733 -14.681) 21.532 ======================= Grid point 1307 (620/1062) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 12.573 19.874 23.468) 33.223 4.344 ( -9.078 12.527 -16.841) 22.869 5.059 ( 1.146 40.456 -3.597) 40.632 6.305 ( 0.359 -0.393 -7.749) 7.767 6.861 ( 2.880 3.607 2.649) 5.322 7.937 ( -0.635 8.779 4.465) 9.870 8.124 ( 4.749 5.696 -1.388) 7.544 8.641 ( 0.785 38.698 -0.566) 38.710 16.111 ( -2.142 -16.825 10.657) 20.031 17.650 ( 1.079 -0.961 -4.211) 4.452 17.902 ( -0.170 -4.400 -0.236) 4.410 19.623 ( -0.028 -13.491 -14.601) 19.880 ======================= Grid point 1308 (621/1062) ======================= q-point: (-0.05 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 11.685 18.293 22.109) 30.984 3.963 ( -2.416 16.334 -10.767) 19.712 4.359 ( -0.780 32.941 -6.030) 33.498 6.237 ( 1.263 6.046 -8.995) 10.911 6.615 ( 2.650 27.234 2.984) 27.525 7.719 ( 1.281 27.666 -0.995) 27.713 7.825 ( 0.634 17.580 11.246) 20.879 8.435 ( 6.998 -12.677 -4.944) 15.301 16.239 ( -1.913 4.477 6.294) 7.957 17.633 ( 0.626 -1.496 -4.952) 5.211 18.222 ( -0.738 -26.438 3.753) 26.713 19.747 ( -1.114 -7.612 -14.643) 16.541 ======================= Grid point 1314 (622/1062) ======================= q-point: ( 0.25 0.25 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -4.757 0.000 14.554) 15.312 2.622 ( -2.518 0.000 -8.948) 9.296 3.391 ( 1.402 -0.000 12.160) 12.240 4.299 ( 6.501 -0.000 -9.083) 11.170 5.053 ( 32.351 -0.000 12.789) 34.787 7.050 ( -9.200 0.000 -12.060) 15.169 7.811 ( 5.234 -0.000 -0.244) 5.240 10.368 ( 13.811 -0.000 3.652) 14.285 14.946 ( 1.157 -0.000 1.165) 1.641 17.995 ( -3.268 0.000 1.732) 3.699 18.455 ( 1.260 -0.000 -1.150) 1.706 20.292 ( -6.386 0.000 0.910) 6.451 ======================= Grid point 1315 (623/1062) ======================= q-point: ( 0.30 0.25 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -2.205 -6.143 -6.136) 8.958 2.656 ( -3.050 -39.980 6.860) 40.679 3.424 ( -2.965 1.641 13.184) 13.613 4.457 ( 6.211 -15.687 -7.475) 18.453 5.383 ( 33.954 -2.116 10.790) 35.690 6.894 ( -8.259 3.023 -11.468) 14.453 7.844 ( 4.700 0.293 -0.939) 4.802 10.410 ( 11.940 8.199 3.816) 14.978 15.080 ( 0.504 -12.432 1.684) 12.555 17.933 ( -2.261 4.457 1.879) 5.340 18.595 ( -0.193 -13.560 -1.286) 13.622 20.128 ( -6.118 12.518 0.045) 13.933 ======================= Grid point 1316 (624/1062) ======================= q-point: ( 0.35 0.25 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -0.418 1.206 -10.914) 10.988 3.391 ( -4.473 -5.978 14.540) 16.344 3.756 ( -1.915 -59.487 5.240) 59.748 4.858 ( 5.568 -25.126 -4.634) 26.149 5.764 ( 32.525 -5.727 10.442) 34.637 6.725 ( -6.963 2.782 -10.934) 13.258 7.867 ( 3.387 -0.296 -2.332) 4.123 10.301 ( 10.264 14.591 2.906) 18.074 15.380 ( -0.478 -18.339 1.870) 18.440 17.833 ( -1.196 5.831 2.196) 6.345 18.864 ( -1.973 -15.819 -1.371) 16.001 19.763 ( -5.398 21.728 0.257) 22.390 ======================= Grid point 1317 (625/1062) ======================= q-point: ( 0.40 0.25 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 1.025 -0.663 -7.322) 7.423 3.558 ( -3.631 -13.034 10.411) 17.072 4.935 ( -0.374 -63.370 4.502) 63.530 5.376 ( 6.341 -27.530 -2.809) 28.390 6.179 ( 27.605 -7.307 12.416) 31.138 6.599 ( -6.366 -1.691 -12.446) 14.082 7.890 ( 0.907 -2.064 -3.172) 3.892 10.076 ( 8.801 19.162 1.975) 21.179 15.727 ( -0.709 -18.762 1.079) 18.806 17.732 ( -0.283 5.598 2.435) 6.111 19.009 ( -2.315 5.137 -5.667) 7.992 19.356 ( -4.780 11.320 5.858) 13.613 ======================= Grid point 1318 (626/1062) ======================= q-point: ( 0.45 0.25 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 2.432 -4.366 -0.966) 5.090 3.936 ( -1.878 -26.272 7.437) 27.369 5.888 ( 6.194 -24.258 3.253) 25.247 5.978 ( 5.121 -37.544 -4.281) 38.132 6.458 ( 5.244 -8.054 4.535) 10.627 6.753 ( 6.609 -23.511 -2.724) 24.573 7.941 ( -1.739 -6.130 -2.788) 6.955 9.765 ( 7.421 22.575 1.600) 23.817 16.037 ( -0.425 -14.502 -0.587) 14.520 17.657 ( 0.515 3.620 2.448) 4.400 18.571 ( -2.284 27.787 -3.966) 28.161 19.365 ( -3.355 -3.026 6.465) 7.888 ======================= Grid point 1319 (627/1062) ======================= q-point: ( 0.50 0.25 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 3.579 -7.173 4.960) 9.427 4.547 ( -0.179 -37.403 6.126) 37.902 6.157 ( -1.279 2.412 -7.020) 7.533 6.301 ( 12.304 -11.813 0.544) 17.066 6.887 ( 2.978 -23.134 0.188) 23.326 7.409 ( 3.068 -37.006 3.974) 37.345 8.120 ( -2.527 -19.488 -0.778) 19.666 9.388 ( 5.875 25.260 1.671) 25.988 16.180 ( -0.533 -0.224 -3.585) 3.631 17.637 ( 1.006 0.605 2.266) 2.552 18.098 ( -0.989 18.120 -0.806) 18.165 19.372 ( -2.374 3.627 6.933) 8.177 ======================= Grid point 1320 (628/1062) ======================= q-point: ( 0.55 0.25 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 4.605 -9.168 8.890) 13.575 5.309 ( 1.133 -40.195 4.948) 40.514 6.040 ( -4.243 1.639 -8.068) 9.262 6.501 ( 12.931 0.134 -0.948) 12.967 7.282 ( -3.638 -21.020 0.455) 21.338 7.926 ( 4.633 -15.647 3.803) 16.756 8.692 ( -1.216 -38.556 1.172) 38.593 8.961 ( 3.941 24.116 2.104) 24.527 15.945 ( -1.229 21.851 -6.377) 22.795 17.645 ( 0.968 0.412 0.555) 1.189 17.981 ( 0.649 -4.578 2.753) 5.381 19.265 ( -1.513 9.862 7.741) 12.628 ======================= Grid point 1321 (629/1062) ======================= q-point: ( 0.60 0.25 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 5.737 -10.947 11.332) 16.768 5.694 ( -2.238 1.353 -10.946) 11.254 6.274 ( -3.089 -29.454 6.156) 30.248 6.556 ( 10.188 -3.780 -1.215) 10.934 7.598 ( -5.243 -16.281 1.634) 17.182 8.191 ( 5.442 -6.074 1.799) 8.351 8.472 ( 1.568 24.162 2.270) 24.319 9.477 ( 0.378 -38.741 2.289) 38.811 15.394 ( -1.573 31.382 -6.504) 32.087 17.661 ( 0.932 -1.641 -1.860) 2.650 18.185 ( 0.824 -12.415 3.767) 13.000 19.084 ( -0.624 12.383 8.283) 14.911 ======================= Grid point 1322 (630/1062) ======================= q-point: ( 0.65 0.25 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( 7.077 -12.010 13.170) 19.178 5.507 ( -4.618 6.986 -12.740) 15.246 6.385 ( 2.967 5.356 -0.203) 6.127 7.127 ( 2.082 -34.414 6.799) 35.141 7.704 ( -3.334 12.068 -0.739) 12.541 7.992 ( -3.892 4.675 -0.427) 6.098 8.472 ( 6.632 -5.936 4.616) 10.026 10.111 ( 0.880 -28.401 1.792) 28.471 14.794 ( -1.596 28.313 -4.959) 28.788 17.688 ( 0.410 -1.784 -3.568) 4.010 18.402 ( 0.209 -7.373 3.600) 8.207 18.924 ( 0.553 7.531 7.057) 10.336 ======================= Grid point 1323 (631/1062) ======================= q-point: (-0.30 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 8.523 -10.541 14.808) 20.076 5.291 ( -4.808 5.905 -10.630) 13.076 6.297 ( 2.149 5.782 -0.050) 6.169 7.190 ( -5.967 27.523 -7.558) 29.159 7.635 ( -2.125 -13.767 3.066) 14.263 8.103 ( -0.398 -10.258 5.913) 11.847 8.632 ( 5.304 -4.313 2.721) 7.358 10.518 ( 0.994 -14.149 0.686) 14.200 14.352 ( -1.463 15.491 -1.941) 15.680 17.690 ( -0.129 0.078 -2.873) 2.877 18.468 ( -0.086 0.874 3.850) 3.949 18.904 ( 1.186 -1.015 1.806) 2.387 ======================= Grid point 1324 (632/1062) ======================= q-point: (-0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.016 ( 9.299 -3.251 15.554) 18.412 5.143 ( -2.864 2.631 -4.947) 6.293 6.211 ( 1.207 5.155 -0.569) 5.325 6.627 ( -9.831 19.787 -13.115) 25.694 7.644 ( -2.499 8.675 -2.265) 9.308 8.298 ( 2.094 -3.648 9.138) 10.060 8.727 ( 3.002 -1.040 1.018) 3.336 10.634 ( 0.858 2.301 -0.921) 2.623 14.235 ( -1.268 -4.449 2.342) 5.185 17.666 ( 0.106 1.624 0.442) 1.686 18.458 ( -0.219 1.179 1.674) 2.059 18.939 ( 1.021 -1.830 -4.212) 4.704 ======================= Grid point 1325 (633/1062) ======================= q-point: (-0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( 9.037 7.967 15.306) 19.479 5.054 ( -1.881 7.368 0.001) 7.604 6.120 ( -2.540 -0.436 -8.038) 8.441 6.295 ( -5.690 3.479 -8.949) 11.161 7.307 ( -1.071 23.758 -5.945) 24.514 8.336 ( 1.927 5.161 9.325) 10.830 8.706 ( 1.339 5.572 -0.188) 5.734 10.445 ( 0.729 17.796 -2.268) 17.954 14.506 ( -1.270 -22.878 6.452) 23.804 17.643 ( 0.807 2.200 3.256) 4.011 18.414 ( -0.543 4.817 -0.401) 4.864 18.967 ( 0.708 -5.503 -9.979) 11.418 ======================= Grid point 1326 (634/1062) ======================= q-point: (-0.15 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.048 ( 10.724 15.231 18.268) 26.090 4.774 ( -8.341 14.988 -8.972) 19.358 6.179 ( 3.907 2.329 0.793) 4.617 6.252 ( -3.297 -9.159 -8.960) 13.230 6.777 ( 0.041 24.514 -8.695) 26.011 8.252 ( 1.067 9.322 7.855) 12.237 8.555 ( 1.224 11.116 -0.732) 11.207 9.998 ( 0.736 29.902 -2.657) 30.029 15.052 ( -1.690 -32.533 9.230) 33.859 17.627 ( 1.249 2.076 3.111) 3.943 18.248 ( -0.302 11.806 -2.397) 12.051 19.085 ( 0.039 -12.720 -12.590) 17.897 ======================= Grid point 1327 (635/1062) ======================= q-point: (-0.10 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( 12.466 19.988 22.098) 32.299 4.384 ( -10.708 10.906 -17.482) 23.222 5.806 ( 2.512 38.790 -1.483) 38.900 6.260 ( -0.002 -0.784 -6.394) 6.442 6.763 ( 5.451 -14.703 -1.556) 15.757 8.100 ( -0.189 10.048 4.082) 10.847 8.346 ( 2.896 12.339 -0.325) 12.678 9.366 ( 0.724 38.104 -1.898) 38.159 15.685 ( -2.371 -31.450 10.540) 33.254 17.622 ( 1.349 0.092 0.037) 1.352 18.000 ( 0.069 12.025 -3.225) 12.450 19.288 ( -0.680 -15.320 -12.339) 19.683 ======================= Grid point 1328 (636/1062) ======================= q-point: (-0.05 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( 4.117 20.029 11.808) 23.612 4.104 ( 1.434 8.434 -8.654) 12.169 5.056 ( 1.402 41.722 -1.478) 41.772 6.253 ( 1.406 -0.087 -6.122) 6.282 6.961 ( 6.143 4.231 2.961) 8.025 7.983 ( 1.745 4.423 3.950) 6.182 8.175 ( 4.142 8.665 -2.927) 10.040 8.652 ( 1.221 36.433 -0.571) 36.458 16.169 ( -2.610 -15.776 9.350) 18.524 17.624 ( 1.164 1.035 -4.771) 5.019 17.900 ( -0.134 -6.336 0.185) 6.340 19.487 ( -1.469 -12.789 -11.386) 17.186 ======================= Grid point 1335 (637/1062) ======================= q-point: ( 0.30 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -4.894 0.000 12.865) 13.764 2.504 ( -0.380 0.000 -9.490) 9.497 3.489 ( -5.373 0.000 15.679) 16.574 4.315 ( 6.458 -0.000 -8.998) 11.076 5.675 ( 33.907 -0.000 8.138) 34.870 6.803 ( -7.967 0.000 -11.385) 13.896 7.884 ( 4.165 -0.000 0.386) 4.183 10.590 ( 9.432 -0.000 4.516) 10.457 14.976 ( 1.061 -0.000 1.663) 1.973 17.968 ( -2.637 0.000 2.405) 3.570 18.459 ( 1.188 -0.000 -1.985) 2.313 20.191 ( -6.350 0.000 -1.129) 6.450 ======================= Grid point 1336 (638/1062) ======================= q-point: ( 0.35 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 1.167 0.058 -6.930) 7.028 2.687 ( -3.709 -46.043 9.607) 47.180 3.475 ( -6.640 2.887 13.976) 15.740 4.481 ( 5.604 -16.420 -6.947) 18.689 5.986 ( 32.156 -2.493 5.310) 32.687 6.674 ( -6.370 2.389 -9.234) 11.470 7.903 ( 3.411 1.367 0.024) 3.675 10.597 ( 7.364 8.282 3.693) 11.681 15.105 ( 0.406 -11.707 2.003) 11.884 17.924 ( -1.771 3.763 2.740) 4.980 18.579 ( -0.009 -12.164 -1.793) 12.296 20.026 ( -5.885 11.796 -1.819) 13.307 ======================= Grid point 1337 (639/1062) ======================= q-point: ( 0.40 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 3.672 1.399 -4.620) 6.065 3.437 ( -6.474 -4.211 13.525) 15.575 3.773 ( -2.294 -61.697 5.414) 61.977 4.894 ( 4.530 -26.219 -4.156) 26.930 6.309 ( 24.652 -6.528 -2.168) 25.594 6.549 ( -0.807 4.059 -1.531) 4.413 7.890 ( 1.749 1.713 -1.119) 2.692 10.451 ( 5.983 14.437 2.003) 15.756 15.390 ( -0.434 -17.570 1.779) 17.665 17.843 ( -0.816 5.277 3.107) 6.178 18.827 ( -1.339 -14.502 -1.117) 14.606 19.676 ( -5.115 19.954 -1.234) 20.636 ======================= Grid point 1338 (640/1062) ======================= q-point: ( 0.45 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 5.587 -1.171 0.906) 5.780 3.588 ( -4.947 -13.504 10.167) 17.612 4.964 ( -1.169 -64.107 4.335) 64.264 5.433 ( 4.803 -29.899 -2.776) 30.409 6.371 ( -6.496 -0.999 -14.636) 16.044 6.710 ( 25.618 -4.428 11.020) 28.237 7.867 ( -1.025 0.034 -1.573) 1.878 10.195 ( 4.879 18.647 0.765) 19.290 15.726 ( -0.524 -18.272 0.681) 18.292 17.756 ( 0.047 5.201 3.164) 6.088 18.933 ( -1.372 8.834 -4.344) 9.939 19.332 ( -4.391 6.033 4.380) 8.652 ======================= Grid point 1339 (641/1062) ======================= q-point: ( 0.50 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 6.612 -4.587 7.520) 11.014 3.971 ( -2.900 -27.299 7.769) 28.531 5.963 ( 0.092 -34.297 3.211) 34.448 6.006 ( 6.126 -23.363 -8.961) 25.761 6.356 ( -7.555 -23.031 -7.185) 25.281 7.054 ( 18.726 -10.119 8.628) 22.967 7.887 ( -2.979 -5.650 -0.456) 6.403 9.861 ( 3.740 21.877 0.349) 22.197 16.024 ( -0.179 -13.589 -1.124) 13.636 17.693 ( 0.800 3.412 2.873) 4.531 18.506 ( -1.616 26.181 -3.386) 26.449 19.380 ( -2.524 -3.906 6.490) 7.984 ======================= Grid point 1340 (642/1062) ======================= q-point: ( 0.55 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 6.960 -6.621 12.250) 15.568 4.600 ( -0.874 -38.733 6.877) 39.348 5.997 ( -5.468 2.742 -14.088) 15.359 6.464 ( 8.097 -17.300 0.261) 19.103 6.884 ( -1.085 -21.247 -2.871) 21.467 7.578 ( 8.386 -30.573 9.564) 33.113 8.080 ( -2.441 -20.255 0.850) 20.420 9.461 ( 2.333 24.791 0.426) 24.905 16.138 ( -0.200 1.959 -4.001) 4.459 17.675 ( 1.177 1.031 2.100) 2.619 18.081 ( -0.674 15.203 -0.155) 15.218 19.410 ( -1.365 2.928 7.342) 8.022 ======================= Grid point 1341 (643/1062) ======================= q-point: ( 0.60 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 7.368 -8.404 14.599) 18.386 5.371 ( 1.028 -37.629 4.511) 37.913 5.839 ( -8.714 -2.513 -12.198) 15.201 6.659 ( 9.591 1.748 -3.161) 10.249 7.212 ( -5.477 -21.185 0.932) 21.902 8.083 ( 7.708 -13.192 7.201) 16.891 8.682 ( -1.901 -38.980 1.774) 39.066 9.010 ( 0.730 22.697 0.658) 22.718 15.870 ( -0.743 23.166 -6.279) 24.013 17.664 ( 0.937 1.519 0.308) 1.811 18.017 ( 0.493 -6.267 2.892) 6.919 19.324 ( -0.424 9.327 7.985) 12.285 ======================= Grid point 1342 (644/1062) ======================= q-point: ( 0.65 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( 8.173 -10.475 15.736) 20.595 5.499 ( -6.572 4.804 -15.522) 17.527 6.289 ( -2.950 -32.166 6.918) 33.033 6.661 ( 5.706 -5.153 -2.579) 8.110 7.549 ( -3.187 -17.424 2.300) 17.862 8.297 ( 4.615 8.137 2.824) 9.772 8.497 ( -0.420 13.206 1.753) 13.329 9.503 ( 0.184 -39.195 2.383) 39.268 15.313 ( -1.112 31.356 -6.155) 31.973 17.657 ( 0.572 -0.283 -1.423) 1.559 18.228 ( 0.477 -12.291 3.198) 12.709 19.160 ( 0.538 12.048 8.029) 14.488 ======================= Grid point 1343 (645/1062) ======================= q-point: (-0.30 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 9.340 -11.970 16.620) 22.511 5.266 ( -8.623 4.951 -16.104) 18.926 6.414 ( 0.986 4.880 -0.169) 4.981 7.198 ( -0.412 -33.515 5.835) 34.022 7.672 ( -0.332 21.713 -0.443) 21.720 7.925 ( -4.643 -1.723 0.974) 5.047 8.599 ( 4.790 -5.710 3.223) 8.120 10.140 ( 0.666 -28.317 1.732) 28.378 14.727 ( -1.252 27.399 -4.515) 27.797 17.660 ( -0.137 -0.806 -2.864) 2.978 18.437 ( -0.019 -7.400 3.362) 8.128 19.002 ( 1.530 8.742 6.012) 10.719 ======================= Grid point 1344 (646/1062) ======================= q-point: (-0.25 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.038 ( 10.286 -10.179 17.337) 22.583 5.068 ( -8.458 0.483 -14.506) 16.799 6.323 ( 1.003 5.270 0.153) 5.367 7.038 ( -5.499 34.505 -4.977) 35.293 7.625 ( -2.637 -9.941 3.133) 10.752 8.155 ( 0.370 -15.282 4.737) 16.004 8.723 ( 3.620 -2.853 1.372) 4.809 10.538 ( 0.797 -13.502 0.473) 13.534 14.314 ( -1.255 13.675 -1.531) 13.818 17.659 ( -0.485 -0.921 -2.660) 2.857 18.508 ( -0.124 1.068 4.772) 4.892 18.935 ( 1.642 2.228 0.238) 2.778 ======================= Grid point 1345 (647/1062) ======================= q-point: (-0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.298 ( 7.706 -0.770 13.945) 15.951 5.030 ( -3.716 -7.383 -7.114) 10.905 6.230 ( 1.251 9.551 0.773) 9.664 6.387 ( -7.164 22.185 -8.941) 24.969 7.596 ( -1.762 10.117 -0.778) 10.299 8.393 ( 0.630 -5.462 6.513) 8.523 8.768 ( 1.991 0.659 -0.637) 2.192 10.638 ( 0.757 3.103 -1.065) 3.367 14.238 ( -1.263 -6.628 2.330) 7.138 17.668 ( 0.098 -0.992 -0.290) 1.038 18.480 ( -0.269 3.317 3.905) 5.131 18.908 ( 1.024 1.092 -5.611) 5.808 ======================= Grid point 1346 (648/1062) ======================= q-point: (-0.15 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.336 ( 3.800 4.827 7.566) 9.746 5.026 ( -2.205 12.484 0.904) 12.709 5.982 ( -0.329 -2.878 -7.791) 8.312 6.239 ( 0.722 1.275 -0.729) 1.637 7.250 ( -0.289 25.027 -3.853) 25.324 8.426 ( -0.158 4.599 6.696) 8.125 8.714 ( 1.025 5.948 -2.089) 6.387 10.437 ( 0.801 18.236 -2.087) 18.372 14.541 ( -1.561 -24.499 5.598) 25.179 17.685 ( 1.081 0.613 2.378) 2.684 18.410 ( -0.512 6.482 1.272) 6.625 18.881 ( 0.201 -3.100 -9.746) 10.229 ======================= Grid point 1347 (649/1062) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.302 ( 2.155 3.991 1.844) 4.896 4.586 ( -3.544 27.080 1.407) 27.347 6.180 ( 0.927 -6.751 -3.776) 7.791 6.285 ( 8.203 -2.557 2.522) 8.954 6.718 ( 1.343 22.970 -5.796) 23.728 8.311 ( -1.332 10.016 5.095) 11.316 8.563 ( 1.599 9.822 -2.379) 10.232 9.989 ( 0.951 29.896 -2.159) 29.989 15.101 ( -2.245 -33.464 7.467) 34.360 17.675 ( 1.578 2.740 2.446) 3.998 18.226 ( -0.013 12.758 -1.785) 12.883 18.970 ( -0.929 -11.852 -10.221) 15.678 ======================= Grid point 1348 (650/1062) ======================= q-point: (-0.05 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( -11.867 17.561 -16.537) 26.883 4.342 ( 13.701 10.520 18.192) 25.086 5.832 ( 2.546 41.386 -1.371) 41.487 6.224 ( 1.516 -1.495 -3.888) 4.433 6.893 ( 10.696 -17.270 1.803) 20.394 8.115 ( -1.236 10.150 2.070) 10.433 8.380 ( 2.665 10.679 -2.089) 11.203 9.364 ( 0.944 37.786 -1.299) 37.820 15.731 ( -2.993 -31.932 8.038) 33.064 17.642 ( 1.556 2.398 -0.675) 2.937 17.977 ( 0.393 11.577 -2.243) 11.799 19.169 ( -1.721 -14.896 -8.819) 17.396 ======================= Grid point 1356 (651/1062) ======================= q-point: ( 0.35 0.35 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -5.440 0.000 11.575) 12.790 2.460 ( 3.588 -0.000 -4.197) 5.522 3.524 ( -8.947 0.000 15.645) 18.022 4.330 ( 6.290 -0.000 -8.910) 10.906 6.197 ( 25.359 -0.000 -4.411) 25.739 6.636 ( -0.645 0.000 -1.407) 1.547 7.948 ( 2.836 -0.000 1.648) 3.280 10.738 ( 4.508 -0.000 3.865) 5.938 15.009 ( 0.819 -0.000 2.078) 2.234 17.958 ( -1.885 0.000 2.995) 3.539 18.454 ( 1.024 -0.000 -2.666) 2.856 20.077 ( -5.795 0.000 -3.018) 6.534 ======================= Grid point 1357 (652/1062) ======================= q-point: ( 0.40 0.35 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 5.390 0.042 -0.592) 5.422 2.714 ( -4.121 -46.119 9.013) 47.172 3.482 ( -9.132 2.952 13.698) 16.726 4.502 ( 5.249 -16.948 -6.776) 18.992 6.295 ( 7.259 -1.757 -17.285) 18.829 6.698 ( 15.704 1.260 10.922) 19.170 7.951 ( 1.818 2.596 1.508) 3.509 10.705 ( 2.826 8.136 2.459) 8.956 15.130 ( 0.207 -10.972 2.178) 11.188 17.929 ( -1.186 3.167 3.369) 4.773 18.561 ( 0.151 -11.453 -2.118) 11.649 19.914 ( -5.143 11.095 -3.482) 12.715 ======================= Grid point 1358 (653/1062) ======================= q-point: ( 0.45 0.35 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 8.026 1.026 2.687) 8.526 3.444 ( -8.454 -4.117 12.715) 15.814 3.785 ( -3.032 -62.870 5.956) 63.225 4.923 ( 4.210 -26.949 -4.163) 27.592 6.241 ( -2.634 -0.609 -18.199) 18.399 6.910 ( 22.477 -1.191 11.557) 25.302 7.900 ( -0.298 3.899 0.596) 3.955 10.525 ( 2.098 14.010 0.588) 14.178 15.399 ( -0.436 -16.830 1.599) 16.912 17.865 ( -0.378 4.795 3.574) 5.992 18.804 ( -0.549 -14.017 -0.578) 14.039 19.583 ( -4.379 18.321 -2.751) 19.037 ======================= Grid point 1359 (654/1062) ======================= q-point: ( 0.50 0.35 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 9.160 -1.974 8.072) 12.368 3.594 ( -6.647 -14.554 10.231) 18.991 4.979 ( -2.414 -64.433 4.734) 64.651 5.478 ( 4.526 -31.378 -3.162) 31.860 6.126 ( -6.012 0.168 -16.415) 17.482 7.167 ( 20.759 -2.406 8.784) 22.669 7.830 ( -3.217 1.611 0.686) 3.663 10.245 ( 1.510 18.006 -0.509) 18.076 15.723 ( -0.379 -17.799 0.351) 17.806 17.791 ( 0.419 4.860 3.368) 5.928 18.884 ( -0.512 12.383 -3.040) 12.761 19.306 ( -3.300 0.511 2.934) 4.445 ======================= Grid point 1360 (655/1062) ======================= q-point: ( 0.55 0.35 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 8.902 -4.689 13.500) 16.837 3.990 ( -4.233 -28.984 7.983) 30.360 5.912 ( -1.976 -2.976 -16.439) 16.823 5.991 ( -3.011 -37.672 4.417) 38.049 6.237 ( 0.916 -41.942 -4.094) 42.151 7.377 ( 12.303 -3.900 5.819) 14.157 7.855 ( -1.999 -7.020 3.191) 7.966 9.892 ( 0.685 21.247 -0.673) 21.269 16.011 ( 0.023 -12.699 -1.390) 12.775 17.735 ( 1.097 3.349 2.764) 4.479 18.457 ( -1.074 25.035 -2.598) 25.192 19.410 ( -1.090 -5.262 5.984) 8.042 ======================= Grid point 1361 (656/1062) ======================= q-point: ( 0.60 0.35 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 8.136 -6.190 16.273) 19.218 4.647 ( -1.807 -40.749 7.372) 41.450 5.739 ( -8.371 3.833 -16.988) 19.322 6.568 ( 4.593 -23.253 1.059) 23.726 6.829 ( -0.999 -16.215 -4.288) 16.802 7.774 ( 4.058 -32.634 8.120) 33.873 8.077 ( 0.505 -16.207 3.081) 16.505 9.473 ( -0.501 24.555 -0.372) 24.563 16.100 ( 0.085 3.875 -3.874) 5.480 17.711 ( 1.328 1.824 1.462) 2.689 18.073 ( -0.537 12.595 0.460) 12.615 19.468 ( 0.105 2.219 7.037) 7.380 ======================= Grid point 1362 (657/1062) ======================= q-point: (-0.35 -0.65 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 7.959 -8.305 16.821) 20.378 5.406 ( -0.366 -17.939 -3.050) 18.201 5.574 ( -10.784 -22.958 -6.246) 26.122 6.737 ( 5.025 4.460 -4.492) 8.082 7.151 ( -3.585 -23.820 1.986) 24.170 8.265 ( 6.528 -11.137 6.233) 14.335 8.668 ( -2.478 -38.445 2.817) 38.627 9.002 ( -1.636 20.749 -0.384) 20.817 15.806 ( -0.355 24.334 -5.549) 24.961 17.680 ( 0.874 2.426 0.013) 2.579 18.049 ( 0.173 -7.268 2.616) 7.726 19.401 ( 1.017 8.894 7.409) 11.620 ======================= Grid point 1363 (658/1062) ======================= q-point: (-0.30 -0.65 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 8.480 -11.093 16.557) 21.658 5.214 ( -10.105 6.157 -16.591) 20.378 6.308 ( -2.979 -31.196 6.725) 32.052 6.696 ( 2.449 -7.774 -2.599) 8.555 7.540 ( -0.892 -18.910 2.200) 19.059 8.349 ( -1.739 31.231 1.684) 31.325 8.519 ( 1.892 -6.985 1.877) 7.476 9.526 ( -0.108 -39.734 2.157) 39.793 15.245 ( -0.747 31.455 -5.187) 31.889 17.651 ( 0.169 1.035 -1.093) 1.515 18.259 ( 0.066 -12.212 2.499) 12.465 19.249 ( 1.912 11.973 6.922) 13.962 ======================= Grid point 1364 (659/1062) ======================= q-point: (-0.25 -0.65 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( 9.563 -13.353 16.532) 23.304 4.952 ( -11.258 4.307 -16.520) 20.450 6.413 ( -0.741 4.123 -0.428) 4.211 7.235 ( -1.190 -31.942 5.482) 32.431 7.660 ( -1.803 34.609 -0.288) 34.658 7.879 ( -2.691 -13.494 2.102) 13.919 8.677 ( 2.620 -5.680 0.966) 6.330 10.163 ( 0.366 -28.261 1.339) 28.295 14.672 ( -0.957 26.699 -3.520) 26.947 17.631 ( -0.668 0.121 -2.155) 2.259 18.464 ( -0.267 -7.941 2.827) 8.433 19.084 ( 2.596 10.433 4.501) 11.656 ======================= Grid point 1365 (660/1062) ======================= q-point: (-0.20 -0.65 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.365 ( 10.109 -8.622 17.570) 22.028 4.767 ( -10.689 -4.973 -17.178) 20.834 6.327 ( -0.332 3.890 -0.503) 3.936 6.935 ( -4.299 38.382 -0.510) 38.625 7.619 ( -2.096 -7.797 3.807) 8.926 8.195 ( 0.007 -17.439 2.852) 17.670 8.767 ( 1.680 -2.227 -0.857) 2.918 10.551 ( 0.538 -13.000 0.032) 13.011 14.285 ( -1.068 12.240 -0.794) 12.312 17.626 ( -0.862 -1.676 -2.140) 2.852 18.550 ( -0.253 0.138 4.712) 4.721 18.962 ( 2.291 6.106 -0.998) 6.597 ======================= Grid point 1366 (661/1062) ======================= q-point: (-0.15 0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.442 ( -1.471 4.561 1.769) 5.108 4.948 ( 0.979 -17.002 -2.115) 17.161 6.245 ( -3.294 22.761 -3.226) 23.223 6.278 ( 2.293 10.079 3.795) 11.012 7.577 ( -0.804 11.232 0.860) 11.293 8.438 ( -1.129 -6.496 3.842) 7.631 8.775 ( 0.865 1.517 -2.702) 3.217 10.638 ( 0.630 3.582 -1.236) 3.841 14.239 ( -1.282 -8.154 2.264) 8.559 17.663 ( -0.080 -3.378 -0.672) 3.445 18.520 ( -0.283 4.809 5.307) 7.168 18.868 ( 1.247 4.105 -6.452) 7.749 ======================= Grid point 1367 (662/1062) ======================= q-point: (-0.10 0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.332 ( -4.919 3.847 -6.160) 8.772 5.017 ( -0.924 13.429 3.289) 13.857 6.021 ( 7.187 -4.895 2.453) 9.035 6.273 ( 3.711 -1.380 1.821) 4.358 7.227 ( 0.488 26.173 -1.512) 26.221 8.456 ( -2.368 4.233 3.994) 6.283 8.699 ( 0.642 5.658 -3.948) 6.929 10.431 ( 0.853 18.334 -1.797) 18.442 14.561 ( -1.846 -25.418 4.334) 25.851 17.719 ( 1.147 -1.282 1.213) 2.105 18.422 ( -0.392 8.526 2.702) 8.953 18.795 ( -0.061 -1.168 -8.500) 8.580 ======================= Grid point 1368 (663/1062) ======================= q-point: (-0.05 0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( -10.780 11.385 -16.312) 22.626 4.761 ( 7.761 15.096 14.594) 22.385 6.184 ( 2.276 -3.261 -1.822) 4.374 6.477 ( 10.542 7.082 5.016) 13.655 6.723 ( 4.663 9.987 -1.312) 11.100 8.310 ( -3.074 10.389 2.475) 11.114 8.556 ( 1.087 8.270 -3.902) 9.209 9.987 ( 1.103 29.730 -1.528) 29.790 15.121 ( -2.698 -33.897 5.013) 34.372 17.719 ( 1.795 3.164 1.044) 3.785 18.216 ( 0.274 13.697 -0.658) 13.716 18.870 ( -1.576 -11.181 -6.764) 13.163 ======================= Grid point 1377 (664/1062) ======================= q-point: ( 0.40 0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -6.340 0.000 10.738) 12.470 2.544 ( 8.034 -0.000 2.454) 8.400 3.507 ( -11.636 0.000 15.032) 19.009 4.343 ( 6.017 -0.000 -8.819) 10.677 6.226 ( 1.662 -0.000 -19.481) 19.552 6.902 ( 19.313 -0.000 11.724) 22.593 8.003 ( 1.192 -0.000 3.225) 3.438 10.804 ( 0.410 -0.000 2.220) 2.258 15.040 ( 0.453 -0.000 2.371) 2.414 17.965 ( -1.115 0.000 3.506) 3.679 18.441 ( 0.787 -0.000 -3.128) 3.225 19.959 ( -4.737 0.000 -4.456) 6.504 ======================= Grid point 1378 (665/1062) ======================= q-point: ( 0.45 0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 6.296 -6.622 5.525) 10.678 2.736 ( -2.281 -39.689 8.087) 40.568 3.450 ( -11.565 2.172 13.856) 18.179 4.517 ( 4.940 -17.412 -6.864) 19.357 6.137 ( -0.894 0.174 -19.079) 19.101 7.108 ( 18.924 -0.612 10.625) 21.711 7.986 ( -0.125 4.004 3.213) 5.135 10.736 ( -0.384 7.820 0.809) 7.871 15.152 ( -0.070 -10.271 2.236) 10.512 17.949 ( -0.577 2.776 3.714) 4.672 18.545 ( 0.319 -11.562 -2.137) 11.762 19.804 ( -3.979 10.554 -4.684) 12.213 ======================= Grid point 1379 (666/1062) ======================= q-point: ( 0.50 0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 10.399 0.143 7.126) 12.607 3.413 ( -10.784 -5.429 12.780) 17.581 3.790 ( -3.990 -62.907 6.738) 63.393 4.946 ( 3.958 -27.675 -4.583) 28.330 6.024 ( -2.978 1.084 -17.974) 18.252 7.320 ( 17.271 -2.080 8.770) 19.481 7.890 ( -2.729 6.261 2.319) 7.213 10.535 ( -0.377 13.564 -0.624) 13.584 15.406 ( -0.485 -16.183 1.412) 16.251 17.896 ( 0.088 4.433 3.559) 5.686 18.801 ( 0.447 -14.500 0.350) 14.511 19.491 ( -3.297 17.079 -4.058) 17.861 ======================= Grid point 1380 (667/1062) ======================= q-point: ( 0.55 0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 10.150 -3.199 11.432) 15.619 3.571 ( -8.832 -15.915 10.547) 21.036 4.977 ( -4.078 -64.267 5.526) 64.633 5.510 ( 3.926 -31.885 -4.739) 32.473 5.888 ( -4.511 1.002 -15.883) 16.542 7.505 ( 13.814 0.946 4.811) 14.658 7.783 ( -4.978 0.655 3.533) 6.139 10.241 ( -0.593 17.567 -1.195) 17.617 15.720 ( -0.290 -17.403 0.158) 17.406 17.831 ( 0.808 4.590 3.075) 5.584 18.859 ( 0.128 16.410 -1.852) 16.514 19.290 ( -1.413 -5.585 1.799) 6.035 ======================= Grid point 1381 (668/1062) ======================= q-point: (-0.40 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 8.323 -4.893 15.352) 18.135 3.985 ( -5.928 -31.324 7.715) 32.800 5.663 ( -8.200 2.408 -15.794) 17.958 5.988 ( -2.203 -41.818 3.280) 42.004 6.261 ( 5.200 -42.240 -3.505) 42.703 7.508 ( 0.249 0.338 1.978) 2.022 7.905 ( 2.499 -9.726 5.500) 11.450 9.878 ( -1.235 20.937 -0.899) 20.993 15.999 ( 0.163 -11.944 -1.372) 12.024 17.777 ( 1.373 3.461 2.211) 4.331 18.423 ( -0.710 24.276 -1.814) 24.354 19.461 ( 0.963 -6.646 5.199) 8.493 ======================= Grid point 1382 (669/1062) ======================= q-point: (-0.35 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 6.545 -6.359 15.859) 18.297 4.674 ( -3.757 -43.434 6.743) 44.114 5.443 ( -8.984 5.636 -15.217) 18.549 6.623 ( 0.183 -29.876 2.460) 29.978 6.786 ( 1.947 -7.759 -5.681) 9.811 7.838 ( -2.761 -39.262 5.224) 39.704 8.145 ( 2.521 -11.349 3.437) 12.123 9.447 ( -2.141 24.655 -0.198) 24.749 16.069 ( 0.299 5.432 -3.312) 6.369 17.743 ( 1.424 2.826 0.608) 3.222 18.071 ( -0.569 10.509 0.861) 10.559 19.546 ( 2.014 1.730 6.115) 6.666 ======================= Grid point 1383 (670/1062) ======================= q-point: (-0.30 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.549 ( 5.728 -9.306 14.054) 17.802 5.179 ( -11.342 5.856 -14.254) 19.135 5.532 ( -1.410 -46.583 7.601) 47.220 6.737 ( 0.966 5.485 -4.702) 7.289 7.140 ( -0.793 -25.131 2.343) 25.252 8.369 ( 1.173 -10.425 1.449) 10.590 8.667 ( -1.963 -38.107 4.853) 38.465 8.964 ( -2.391 19.463 -0.424) 19.613 15.756 ( -0.071 25.327 -4.351) 25.698 17.691 ( 0.748 3.216 -0.296) 3.315 18.070 ( -0.234 -7.771 2.052) 8.041 19.493 ( 2.732 8.712 6.062) 10.960 ======================= Grid point 1384 (671/1062) ======================= q-point: (-0.25 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 5.108 -13.342 10.615) 17.798 4.912 ( -10.102 7.251 -10.868) 16.515 6.316 ( -3.621 -26.833 5.518) 27.633 6.704 ( 1.635 -12.692 -1.946) 12.944 7.552 ( -0.499 -19.526 2.058) 19.641 8.286 ( -6.601 31.124 0.193) 31.817 8.576 ( 2.577 -5.657 1.317) 6.354 9.539 ( -0.444 -40.312 1.658) 40.348 15.194 ( -0.461 31.623 -3.719) 31.844 17.642 ( -0.239 2.262 -0.893) 2.444 18.277 ( -0.350 -12.250 1.747) 12.378 19.347 ( 3.387 12.215 5.077) 13.655 ======================= Grid point 1385 (672/1062) ======================= q-point: (-0.20 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.211 ( 2.771 -18.175 3.302) 18.680 4.673 ( -6.724 7.235 -4.036) 10.669 6.385 ( -1.902 3.304 -0.949) 3.929 7.269 ( -0.844 -30.974 4.954) 31.379 7.603 ( -6.089 36.920 2.200) 37.484 7.880 ( 0.441 -16.396 0.945) 16.429 8.698 ( 0.449 -5.440 -1.556) 5.676 10.176 ( 0.041 -28.239 0.668) 28.247 14.632 ( -0.704 26.220 -2.056) 26.310 17.599 ( -1.114 0.876 -1.493) 2.059 18.481 ( -0.549 -8.658 2.052) 8.914 19.166 ( 3.691 12.240 2.630) 13.052 ======================= Grid point 1386 (673/1062) ======================= q-point: (-0.15 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.422 ( -11.655 -4.799 -17.230) 21.348 4.673 ( 8.736 -10.470 14.814) 20.135 6.303 ( -1.344 3.251 -1.766) 3.936 6.899 ( -2.924 36.570 5.006) 37.027 7.633 ( -1.052 -6.627 4.378) 8.012 8.206 ( -0.940 -17.756 0.840) 17.801 8.758 ( -0.149 -2.218 -3.362) 4.031 10.555 ( 0.283 -12.717 -0.549) 12.732 14.267 ( -0.909 11.321 0.216) 11.359 17.593 ( -1.187 -2.264 -1.395) 2.912 18.584 ( -0.521 -1.503 3.599) 3.935 18.991 ( 3.101 10.099 -1.718) 10.703 ======================= Grid point 1387 (674/1062) ======================= q-point: (-0.10 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.298 ( -8.378 1.057 -10.981) 13.853 5.007 ( 3.222 -11.087 3.645) 12.107 6.197 ( -0.557 8.663 -1.448) 8.800 6.403 ( 5.245 16.470 10.623) 20.288 7.586 ( 0.041 12.016 2.293) 12.232 8.432 ( -2.731 -6.831 1.477) 7.504 8.744 ( -0.305 1.495 -4.885) 5.118 10.634 ( 0.525 3.678 -1.369) 3.960 14.240 ( -1.315 -8.856 2.171) 9.213 17.654 ( -0.344 -5.245 -0.567) 5.287 18.565 ( -0.391 5.039 4.968) 7.088 18.831 ( 1.724 7.315 -6.027) 9.634 ======================= Grid point 1388 (675/1062) ======================= q-point: (-0.05 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.116 ( -9.310 6.784 -13.310) 17.602 5.060 ( 1.602 6.414 4.470) 7.980 6.145 ( 4.007 -1.799 1.366) 4.600 6.445 ( 11.815 -6.601 10.367) 17.048 7.236 ( 1.121 27.038 0.758) 27.072 8.432 ( -3.934 4.050 1.708) 5.899 8.657 ( -0.239 4.866 -5.746) 7.534 10.430 ( 0.893 18.110 -1.413) 18.187 14.564 ( -2.071 -25.528 2.844) 25.770 17.742 ( 1.028 -3.017 0.109) 3.190 18.444 ( -0.165 10.260 2.725) 10.617 18.726 ( -0.133 0.244 -5.642) 5.649 ======================= Grid point 1398 (676/1062) ======================= q-point: ( 0.45 0.45 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -7.535 0.000 10.387) 12.832 2.736 ( 10.611 -0.000 5.962) 12.171 3.446 ( -14.339 0.000 15.433) 21.066 4.352 ( 5.675 -0.000 -8.727) 10.410 6.047 ( -0.357 0.000 -18.885) 18.888 7.281 ( 15.215 -0.000 9.166) 17.763 8.045 ( -0.666 0.000 5.008) 5.052 10.804 ( -1.490 0.000 0.577) 1.598 15.066 ( 0.001 -0.000 2.510) 2.510 17.989 ( -0.386 0.000 3.873) 3.892 18.421 ( 0.501 -0.000 -3.321) 3.358 19.849 ( -3.362 0.000 -5.250) 6.234 ======================= Grid point 1399 (677/1062) ======================= q-point: ( 0.50 0.45 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -5.053 -39.896 8.774) 41.160 2.858 ( 8.640 -6.643 5.209) 12.080 3.388 ( -14.076 0.615 16.195) 21.466 4.526 ( 4.636 -17.738 -7.141) 19.675 5.947 ( -0.868 1.138 -17.965) 18.022 7.436 ( 11.644 -1.540 7.434) 13.900 8.007 ( -2.071 5.684 4.827) 7.739 10.723 ( -1.128 7.671 -0.207) 7.756 15.169 ( -0.403 -9.673 2.194) 9.926 17.980 ( 0.015 2.670 3.685) 4.550 18.533 ( 0.570 -12.672 -1.790) 12.810 19.706 ( -2.618 10.263 -5.248) 11.820 ======================= Grid point 1400 (678/1062) ======================= q-point: (-0.45 -0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 9.227 -1.809 5.705) 10.998 3.351 ( -13.250 -7.643 14.447) 21.040 3.790 ( -4.967 -61.514 8.174) 62.253 4.958 ( 3.564 -28.162 -5.541) 28.922 5.823 ( -1.933 2.375 -16.151) 16.439 7.594 ( 8.800 -3.743 5.387) 10.977 7.859 ( -4.659 9.241 3.404) 10.895 10.516 ( -0.785 13.656 -0.815) 13.703 15.410 ( -0.593 -15.686 1.273) 15.749 17.933 ( 0.558 4.200 3.094) 5.246 18.827 ( 1.790 -16.073 1.605) 16.251 19.406 ( -2.088 16.434 -4.974) 17.297 ======================= Grid point 1401 (679/1062) ======================= q-point: (-0.40 -0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( 7.869 -5.673 9.098) 13.300 3.517 ( -11.421 -16.752 11.620) 23.369 4.954 ( -6.287 -62.597 6.747) 63.272 5.483 ( 1.244 -23.591 -11.120) 26.111 5.731 ( 0.446 -7.820 -8.151) 11.304 7.631 ( -1.823 10.296 0.637) 10.475 7.785 ( 0.760 -7.677 4.797) 9.084 10.215 ( -1.214 17.766 -0.785) 17.825 15.717 ( -0.279 -17.136 0.141) 17.139 17.872 ( 1.195 4.405 2.401) 5.158 18.850 ( 0.390 20.799 -1.012) 20.827 19.302 ( 1.369 -11.845 1.189) 11.983 ======================= Grid point 1402 (680/1062) ======================= q-point: (-0.35 -0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( 4.457 -5.536 11.966) 13.917 3.943 ( -8.306 -33.754 6.560) 35.374 5.406 ( -8.043 2.638 -10.184) 13.242 5.985 ( -1.498 -41.772 2.214) 41.858 6.313 ( 5.388 -40.709 -3.478) 41.211 7.472 ( -6.002 0.225 2.035) 6.341 7.975 ( 0.308 -10.203 2.151) 10.432 9.846 ( -2.049 21.086 -0.101) 21.185 15.990 ( 0.213 -11.400 -1.085) 11.453 17.818 ( 1.610 3.758 1.364) 4.310 18.400 ( -0.514 23.835 -1.124) 23.867 19.540 ( 3.545 -7.627 4.159) 9.383 ======================= Grid point 1403 (681/1062) ======================= q-point: (-0.30 -0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( 1.646 -7.321 9.491) 12.099 4.626 ( -8.829 -42.590 2.343) 43.559 5.235 ( -3.837 4.058 -4.498) 7.171 6.621 ( -2.414 -29.005 1.466) 29.142 6.783 ( 3.503 -6.153 -4.931) 8.628 7.823 ( -4.529 -42.692 4.739) 43.192 8.171 ( -1.922 -11.205 -0.314) 11.373 9.412 ( -2.736 24.751 0.911) 24.918 16.048 ( 0.412 6.580 -2.423) 7.024 17.767 ( 1.451 3.844 -0.239) 4.116 18.070 ( -0.694 9.110 0.986) 9.190 19.644 ( 4.218 1.681 4.571) 6.443 ======================= Grid point 1404 (682/1062) ======================= q-point: (-0.25 -0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( -1.006 -10.808 3.300) 11.345 4.913 ( -9.671 1.489 -4.092) 10.606 5.592 ( -0.285 -41.795 7.594) 42.480 6.694 ( -0.288 4.123 -4.896) 6.407 7.156 ( -0.397 -24.368 2.501) 24.499 8.323 ( -5.485 -9.029 -2.925) 10.962 8.690 ( -1.467 -42.152 4.740) 42.443 8.930 ( -1.984 20.901 0.678) 21.006 15.723 ( 0.120 26.093 -2.811) 26.244 17.697 ( 0.567 3.977 -0.600) 4.062 18.079 ( -0.631 -7.963 1.344) 8.100 19.598 ( 4.551 8.894 3.982) 10.755 ======================= Grid point 1405 (683/1062) ======================= q-point: (-0.20 -0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.883 ( -5.393 -14.409 -6.749) 16.801 4.782 ( -2.211 6.046 6.401) 9.079 6.295 ( -4.619 -20.997 3.563) 21.792 6.717 ( 2.267 -18.504 -1.584) 18.710 7.554 ( -2.343 -18.660 2.586) 18.984 8.170 ( -7.471 23.843 -0.528) 24.992 8.606 ( 0.350 0.118 -0.400) 0.544 9.543 ( -0.723 -40.779 0.984) 40.797 15.162 ( -0.234 31.788 -1.865) 31.844 17.627 ( -0.589 3.336 -0.788) 3.478 18.281 ( -0.728 -12.383 0.989) 12.444 19.448 ( 4.809 12.750 2.599) 13.873 ======================= Grid point 1406 (684/1062) ======================= q-point: (-0.15 -0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( -10.584 -14.407 -16.915) 24.611 4.765 ( 5.018 2.040 15.524) 16.442 6.337 ( -2.633 2.410 -1.764) 3.981 7.295 ( -1.181 -28.318 3.312) 28.535 7.532 ( -7.302 28.278 5.931) 29.802 7.897 ( 1.102 -12.479 -0.372) 12.533 8.663 ( -1.555 -5.191 -4.047) 6.763 10.177 ( -0.227 -28.247 -0.157) 28.248 14.612 ( -0.487 25.973 -0.231) 25.979 17.568 ( -1.412 1.382 -0.876) 2.161 18.485 ( -0.846 -9.286 1.151) 9.396 19.246 ( 4.693 13.853 0.425) 14.633 ======================= Grid point 1407 (685/1062) ======================= q-point: (-0.10 -0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.084 ( -10.600 -9.138 -16.879) 21.926 4.913 ( 5.586 -5.145 12.010) 14.210 6.258 ( -1.651 3.015 -2.567) 4.290 6.938 ( -1.127 29.298 9.999) 30.978 7.665 ( -0.219 -5.935 4.266) 7.312 8.181 ( -2.241 -17.100 -0.851) 17.267 8.702 ( -1.494 -2.616 -5.635) 6.390 10.549 ( 0.099 -12.699 -1.146) 12.751 14.261 ( -0.784 11.020 1.418) 11.138 17.564 ( -1.399 -2.764 -0.507) 3.139 18.599 ( -0.814 -2.937 1.755) 3.517 19.027 ( 3.852 13.219 -2.104) 13.929 ======================= Grid point 1408 (686/1062) ======================= q-point: (-0.05 -0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.041 ( -8.793 -1.386 -13.617) 16.268 5.077 ( 1.516 -4.274 3.295) 5.606 6.186 ( 0.426 2.421 -1.254) 2.760 6.633 ( 8.111 11.590 15.227) 20.784 7.617 ( 0.510 12.203 3.084) 12.597 8.384 ( -4.155 -6.909 -0.238) 8.065 8.677 ( -1.132 1.127 -6.797) 6.982 10.629 ( 0.480 3.396 -1.416) 3.710 14.239 ( -1.350 -8.667 2.089) 9.016 17.643 ( -0.585 -6.521 -0.064) 6.548 18.591 ( -0.542 4.117 1.669) 4.475 18.817 ( 2.256 10.377 -3.102) 11.063 ======================= Grid point 1419 (687/1062) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -8.961 0.000 10.542) 13.836 2.943 ( 9.115 -0.000 2.062) 9.345 3.364 ( -16.420 0.000 19.764) 25.695 4.356 ( 5.304 -0.000 -8.633) 10.132 5.875 ( 0.169 -0.000 -17.145) 17.145 7.521 ( 6.410 -0.000 5.513) 8.454 8.073 ( -2.780 0.000 6.176) 6.773 10.789 ( -0.188 0.000 0.220) 0.289 15.086 ( -0.492 0.000 2.473) 2.522 18.025 ( 0.294 -0.000 3.949) 3.960 18.395 ( 0.189 -0.000 -3.219) 3.225 19.758 ( -1.937 0.000 -5.271) 5.616 ======================= Grid point 1420 (688/1062) ======================= q-point: (-0.45 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -8.210 -45.913 9.321) 47.564 2.991 ( 3.744 -0.604 -2.374) 4.474 3.348 ( -12.793 -1.759 22.687) 26.105 4.527 ( 4.314 -17.761 -7.543) 19.773 5.783 ( 0.221 1.838 -15.258) 15.370 7.595 ( 2.057 -2.364 3.869) 4.979 8.006 ( -4.406 7.057 4.809) 9.609 10.718 ( 0.985 8.344 0.384) 8.411 15.180 ( -0.769 -9.239 2.063) 9.498 18.017 ( 0.559 2.860 3.198) 4.326 18.531 ( 1.028 -14.978 -1.158) 15.058 19.626 ( -1.319 10.259 -5.003) 11.490 ======================= Grid point 1421 (689/1062) ======================= q-point: (-0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 0.344 -6.073 -2.029) 6.412 3.298 ( -11.980 -10.313 17.637) 23.685 3.793 ( -5.665 -57.542 10.443) 58.756 4.949 ( 2.910 -27.613 -7.085) 28.656 5.678 ( 0.405 2.390 -11.194) 11.454 7.680 ( -2.607 -5.096 3.341) 6.628 7.811 ( -4.814 10.887 1.093) 11.954 10.509 ( 0.490 15.030 0.330) 15.042 15.412 ( -0.761 -15.389 1.218) 15.456 17.971 ( 1.019 4.052 2.319) 4.778 18.889 ( 3.679 -18.969 2.782) 19.522 19.334 ( -0.998 16.706 -5.237) 17.536 ======================= Grid point 1422 (690/1062) ======================= q-point: (-0.35 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 0.200 -12.864 -1.205) 12.921 3.451 ( -12.398 -13.164 15.386) 23.743 4.909 ( -8.313 -57.473 8.206) 58.648 5.379 ( 1.664 -16.424 -12.260) 20.562 5.733 ( 4.159 -19.046 -1.567) 19.557 7.550 ( -8.217 10.197 1.477) 13.179 7.800 ( -2.886 -8.161 -0.687) 8.684 10.195 ( -1.142 18.896 0.498) 18.937 15.715 ( -0.363 -17.024 0.316) 17.030 17.912 ( 1.575 4.333 1.517) 4.854 18.848 ( 0.277 24.243 -0.709) 24.255 19.361 ( 4.939 -16.670 1.086) 17.420 ======================= Grid point 1423 (691/1062) ======================= q-point: (-0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( -2.806 -7.284 1.705) 7.989 3.848 ( -11.202 -34.166 6.287) 36.501 5.258 ( -4.075 0.844 0.167) 4.165 5.986 ( -0.521 -41.023 1.638) 41.059 6.360 ( 4.775 -38.754 -3.344) 39.190 7.380 ( -8.167 -1.819 2.151) 8.639 7.934 ( -5.585 -10.689 -2.254) 12.269 9.815 ( -2.688 21.561 1.104) 21.756 15.985 ( 0.142 -11.100 -0.574) 11.116 17.852 ( 1.814 4.238 0.374) 4.625 18.385 ( -0.428 23.633 -0.517) 23.643 19.650 ( 6.427 -7.823 2.722) 10.484 ======================= Grid point 1424 (692/1062) ======================= q-point: (-0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( -6.756 -8.244 -3.113) 11.104 4.473 ( -11.078 -37.120 2.134) 38.797 5.250 ( 2.300 -3.019 7.994) 8.849 6.592 ( -1.261 -22.902 -0.970) 22.958 6.785 ( 1.214 -9.921 -3.114) 10.469 7.795 ( -4.583 -45.532 4.706) 46.004 8.074 ( -7.272 -11.870 -4.380) 14.593 9.377 ( -3.577 24.430 1.825) 24.758 16.036 ( 0.402 7.275 -1.311) 7.404 17.783 ( 1.425 4.755 -0.954) 5.055 18.067 ( -0.815 8.474 0.906) 8.561 19.761 ( 6.459 2.223 2.358) 7.226 ======================= Grid point 1425 (693/1062) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.554 ( -10.235 -10.667 -10.302) 18.019 4.833 ( -4.174 -6.795 8.435) 11.608 5.663 ( 0.071 -34.738 7.896) 35.624 6.644 ( 0.327 2.125 -5.863) 6.245 7.164 ( -2.152 -23.369 3.007) 23.660 8.171 ( -8.715 -7.914 -4.581) 12.632 8.700 ( -1.835 -47.286 2.840) 47.406 8.904 ( -3.059 22.618 1.159) 22.853 15.707 ( 0.227 26.557 -1.038) 26.579 17.698 ( 0.375 4.754 -0.859) 4.846 18.076 ( -0.941 -7.953 0.606) 8.031 19.707 ( 6.233 9.475 1.224) 11.407 ======================= Grid point 1426 (694/1062) ======================= q-point: (-0.15 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( -12.081 -12.885 -15.478) 23.485 4.912 ( 2.914 1.443 15.367) 15.707 6.239 ( -5.466 -16.320 1.248) 17.256 6.742 ( 2.964 -22.387 -2.155) 22.685 7.520 ( -5.923 -16.014 3.762) 17.484 8.061 ( -5.412 14.800 -0.403) 15.763 8.574 ( -2.673 4.088 -2.511) 5.492 9.536 ( -0.882 -41.020 0.233) 41.030 15.152 ( -0.053 31.891 0.259) 31.892 17.609 ( -0.813 4.196 -0.707) 4.332 18.273 ( -1.042 -12.542 0.258) 12.588 19.543 ( 5.994 13.486 -0.391) 14.764 ======================= Grid point 1427 (695/1062) ======================= q-point: (-0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( -11.087 -13.908 -16.411) 24.201 4.990 ( 4.415 1.001 14.749) 15.429 6.271 ( -3.035 1.163 -2.644) 4.190 7.288 ( -2.341 -20.184 1.360) 20.365 7.501 ( -5.606 11.272 8.822) 15.372 7.901 ( 0.099 -7.553 -0.972) 7.616 8.579 ( -2.956 -5.503 -5.981) 8.648 10.166 ( -0.385 -28.287 -0.997) 28.307 14.614 ( -0.308 25.973 1.815) 26.039 17.540 ( -1.516 1.612 -0.267) 2.229 18.476 ( -1.109 -9.710 0.240) 9.776 19.318 ( 5.437 15.086 -2.087) 16.171 ======================= Grid point 1428 (696/1062) ======================= q-point: (-0.05 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.788 ( -8.472 -11.227 -14.156) 19.955 5.067 ( 1.950 -0.380 8.235) 8.472 6.211 ( -1.149 1.730 -2.428) 3.195 7.047 ( 1.018 19.964 12.975) 23.832 7.698 ( -0.192 -5.863 2.762) 6.484 8.119 ( -4.065 -16.141 -1.997) 16.765 8.616 ( -1.681 -3.156 -6.715) 7.608 10.537 ( 0.027 -12.960 -1.652) 13.065 14.269 ( -0.698 11.388 2.707) 11.726 17.541 ( -1.451 -3.214 0.452) 3.555 18.592 ( -0.964 -3.538 -0.148) 3.670 19.069 ( 4.272 14.792 -2.671) 15.626 ======================= Grid point 1440 (697/1062) ======================= q-point: (-0.45 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -10.547 0.000 11.213) 15.394 2.979 ( -3.447 0.000 -5.150) 6.197 3.357 ( -11.026 0.000 24.347) 26.728 4.355 ( 4.948 -0.000 -8.542) 9.872 5.741 ( 1.526 -0.000 -13.629) 13.714 7.587 ( -2.085 0.000 2.261) 3.075 8.053 ( -7.079 0.000 4.508) 8.392 10.824 ( 3.953 -0.000 1.764) 4.328 15.097 ( -0.977 0.000 2.255) 2.458 18.070 ( 0.941 -0.000 3.541) 3.664 18.367 ( -0.125 0.000 -2.823) 2.825 19.692 ( -0.694 0.000 -4.373) 4.428 ======================= Grid point 1441 (698/1062) ======================= q-point: (-0.40 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -10.151 -46.504 9.792) 48.596 2.908 ( -8.686 -1.347 -4.308) 9.788 3.406 ( -8.581 -2.951 21.053) 22.926 4.519 ( 4.002 -17.320 -7.902) 19.453 5.681 ( 2.291 1.832 -10.207) 10.620 7.589 ( -5.198 -2.648 1.115) 5.940 7.934 ( -9.472 7.221 1.892) 12.060 10.773 ( 4.517 10.616 2.241) 11.753 15.183 ( -1.132 -9.021 1.863) 9.281 18.055 ( 1.032 3.205 2.308) 4.082 18.544 ( 1.843 -18.559 -0.612) 18.660 19.573 ( -0.253 10.512 -3.684) 11.142 ======================= Grid point 1442 (699/1062) ======================= q-point: (-0.35 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -10.843 -10.009 -4.181) 15.337 3.275 ( -11.150 -14.654 12.640) 22.335 3.808 ( -6.371 -51.794 12.343) 53.624 4.919 ( 2.569 -25.853 -7.880) 27.150 5.639 ( 3.766 0.262 -3.863) 5.402 7.615 ( -8.182 -4.665 2.158) 9.663 7.690 ( -9.866 9.511 -3.387) 14.116 10.537 ( 1.557 18.081 1.803) 18.237 15.410 ( -0.970 -15.315 1.283) 15.400 18.008 ( 1.490 3.938 1.451) 4.453 18.993 ( 6.263 -23.795 2.529) 24.735 19.280 ( -0.182 18.646 -3.856) 19.042 ======================= Grid point 1443 (700/1062) ======================= q-point: (-0.30 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( -10.161 -19.045 -8.648) 23.254 3.403 ( -12.798 -9.954 13.669) 21.206 4.862 ( -8.316 -52.162 9.955) 53.751 5.334 ( 4.327 -21.402 -7.351) 23.039 5.810 ( 5.477 -19.485 1.740) 20.315 7.410 ( -10.263 8.998 -1.442) 13.725 7.681 ( -9.275 -8.959 -3.035) 13.248 10.184 ( -1.955 20.743 1.536) 20.892 15.712 ( -0.537 -17.050 0.684) 17.073 17.950 ( 1.960 4.426 0.556) 4.873 18.844 ( 0.099 25.569 -0.733) 25.580 19.477 ( 8.796 -18.582 0.970) 20.582 ======================= Grid point 1444 (701/1062) ======================= q-point: (-0.25 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( -11.857 -10.651 -11.123) 19.436 3.739 ( -11.909 -31.831 9.310) 35.237 5.278 ( -0.176 -4.286 9.595) 10.510 6.003 ( 1.140 -39.561 1.273) 39.597 6.396 ( 3.520 -34.744 -2.878) 35.040 7.258 ( -9.104 -6.094 0.241) 10.958 7.772 ( -10.519 -11.201 -4.300) 15.957 9.775 ( -4.349 22.097 1.653) 22.581 15.984 ( -0.060 -11.034 0.104) 11.035 17.881 ( 1.997 4.881 -0.682) 5.318 18.377 ( -0.368 23.603 0.116) 23.606 19.788 ( 9.235 -6.978 0.672) 11.594 ======================= Grid point 1445 (702/1062) ======================= q-point: (-0.20 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( -14.160 -8.989 -12.715) 21.047 4.357 ( -9.089 -37.599 6.152) 39.168 5.411 ( 4.204 -5.130 13.569) 15.103 6.566 ( 1.186 -16.036 -4.549) 16.711 6.754 ( -3.003 -14.818 -0.847) 15.143 7.770 ( -3.879 -48.465 3.978) 48.783 7.882 ( -10.352 -12.528 -5.889) 17.286 9.324 ( -5.669 23.937 1.619) 24.652 16.035 ( 0.264 7.473 -0.073) 7.478 17.793 ( 1.371 5.482 -1.525) 5.853 18.062 ( -0.851 8.612 0.778) 8.689 19.886 ( 8.397 3.381 -0.535) 9.068 ======================= Grid point 1446 (703/1062) ======================= q-point: (-0.15 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( -14.393 -10.812 -14.446) 23.081 4.887 ( -2.456 -17.871 11.475) 21.379 5.739 ( -0.161 -24.003 8.131) 25.344 6.595 ( 1.415 -0.577 -7.486) 7.640 7.140 ( -5.023 -22.276 3.574) 23.113 7.992 ( -8.227 -9.821 -4.142) 13.464 8.692 ( -1.724 -49.411 1.547) 49.465 8.843 ( -5.935 23.096 0.244) 23.848 15.710 ( 0.257 26.636 0.877) 26.652 17.694 ( 0.230 5.539 -1.024) 5.637 18.062 ( -1.123 -7.769 -0.089) 7.850 19.811 ( 7.519 10.390 -2.085) 12.993 ======================= Grid point 1447 (704/1062) ======================= q-point: (-0.10 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( -12.387 -13.658 -14.231) 23.291 5.103 ( 2.468 -1.324 14.960) 15.220 6.149 ( -6.020 -13.741 -1.244) 15.054 6.763 ( 3.150 -23.363 -3.696) 23.863 7.446 ( -8.527 -13.874 5.073) 17.057 8.003 ( -2.509 6.390 0.897) 6.924 8.476 ( -5.643 5.974 -4.523) 9.381 9.520 ( -0.913 -41.014 -0.512) 41.028 15.166 ( 0.081 31.892 2.537) 31.993 17.590 ( -0.862 4.798 -0.576) 4.909 18.254 ( -1.266 -12.660 -0.426) 12.730 19.623 ( 6.758 14.300 -3.730) 16.250 ======================= Grid point 1448 (705/1062) ======================= q-point: (-0.05 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.405 ( -8.864 -15.565 -12.225) 21.686 5.158 ( 1.289 3.121 11.013) 11.519 6.198 ( -2.736 -0.975 -2.944) 4.136 7.258 ( -1.687 -18.584 -0.677) 18.673 7.515 ( -4.215 0.147 10.271) 11.103 7.870 ( -2.743 -2.297 -2.302) 4.254 8.473 ( -2.680 -7.084 -5.944) 9.628 10.147 ( -0.421 -28.378 -1.741) 28.435 14.637 ( -0.182 26.241 3.934) 26.535 17.517 ( -1.412 1.583 0.372) 2.154 18.455 ( -1.285 -9.942 -0.591) 10.042 19.374 ( 5.773 15.866 -4.818) 17.557 ======================= Grid point 1461 (706/1062) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -12.196 0.000 12.399) 17.392 2.790 ( -13.626 0.000 -4.362) 14.308 3.407 ( -10.751 0.000 19.485) 22.254 4.350 ( 4.641 -0.000 -8.467) 9.655 5.677 ( 3.654 -0.000 -8.124) 8.908 7.515 ( -7.632 0.000 -1.181) 7.723 7.923 ( -13.140 0.000 1.676) 13.247 10.948 ( 8.408 -0.000 3.700) 9.186 15.098 ( -1.405 0.000 1.870) 2.339 18.118 ( 1.549 -0.000 2.490) 2.932 18.339 ( -0.418 0.000 -2.163) 2.203 19.657 ( 0.267 -0.000 -2.350) 2.365 ======================= Grid point 1462 (707/1062) ======================= q-point: (-0.35 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -12.435 -42.980 9.536) 45.748 2.682 ( -14.867 -5.834 -3.384) 16.326 3.427 ( -12.016 -4.109 16.984) 21.207 4.505 ( 3.857 -16.660 -7.896) 18.836 5.671 ( 4.796 0.799 -3.765) 6.149 7.460 ( -10.067 -2.910 -4.347) 11.345 7.754 ( -14.320 6.800 1.449) 15.919 10.890 ( 6.638 14.863 3.244) 16.598 15.180 ( -1.441 -9.069 1.645) 9.329 18.092 ( 1.465 3.380 1.300) 3.907 18.576 ( 3.082 -23.174 -0.875) 23.395 19.553 ( 0.595 10.820 -0.924) 10.876 ======================= Grid point 1463 (708/1062) ======================= q-point: (-0.30 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -16.192 -11.612 -6.256) 20.884 3.169 ( -15.397 -16.921 9.324) 24.705 3.817 ( -7.930 -49.635 13.080) 51.939 4.893 ( 3.109 -25.032 -6.882) 26.147 5.716 ( 6.365 -2.397 2.615) 7.286 7.392 ( -14.604 -1.532 -13.027) 19.630 7.532 ( -11.008 4.755 6.522) 13.650 10.575 ( 0.413 22.336 2.000) 22.429 15.406 ( -1.171 -15.445 1.517) 15.563 18.045 ( 2.002 3.883 0.611) 4.411 19.107 ( 7.746 -24.951 -4.468) 26.505 19.282 ( 2.143 16.952 4.021) 17.553 ======================= Grid point 1464 (709/1062) ======================= q-point: (-0.25 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -15.661 -18.493 -12.640) 27.332 3.296 ( -15.904 -12.794 11.885) 23.619 4.838 ( -7.600 -51.453 11.111) 53.185 5.362 ( 5.637 -27.171 -4.152) 28.059 5.937 ( 6.345 -15.724 5.643) 17.870 7.173 ( -13.857 3.199 -10.687) 17.789 7.502 ( -11.171 -6.066 1.437) 12.792 10.150 ( -4.532 22.623 1.443) 23.117 15.711 ( -0.773 -17.149 1.227) 17.210 17.984 ( 2.336 4.747 -0.485) 5.313 18.839 ( 0.111 25.241 -0.610) 25.248 19.648 ( 12.356 -17.731 0.060) 21.612 ======================= Grid point 1465 (710/1062) ======================= q-point: (-0.20 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -16.970 -12.401 -15.219) 25.949 3.645 ( -12.061 -31.879 9.916) 35.497 5.396 ( 0.332 -11.761 13.397) 17.830 6.048 ( 3.659 -37.359 0.233) 37.538 6.408 ( 0.276 -25.622 -1.709) 25.681 7.092 ( -9.286 -15.817 -5.182) 19.059 7.562 ( -11.870 -10.194 -1.257) 15.697 9.701 ( -7.191 22.461 1.169) 23.613 15.985 ( -0.366 -11.152 0.882) 11.193 17.901 ( 2.132 5.634 -1.824) 6.295 18.376 ( -0.248 23.716 0.940) 23.736 19.944 ( 11.504 -5.055 -2.160) 12.749 ======================= Grid point 1466 (711/1062) ======================= q-point: (-0.15 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -16.699 -10.382 -13.711) 23.972 4.288 ( -8.036 -40.338 6.744) 41.680 5.608 ( 3.365 -4.556 14.636) 15.694 6.524 ( 1.721 -6.766 -11.679) 13.607 6.686 ( -6.224 -23.117 3.685) 24.222 7.663 ( -8.305 -19.643 -6.916) 22.420 7.757 ( -4.390 -44.786 5.640) 45.352 9.224 ( -8.556 23.559 0.508) 25.070 16.043 ( 0.020 7.143 1.213) 7.245 17.798 ( 1.307 5.909 -2.022) 6.381 18.056 ( -0.755 9.554 0.785) 9.616 20.007 ( 9.694 5.025 -4.014) 11.633 ======================= Grid point 1467 (712/1062) ======================= q-point: (-0.10 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -14.194 -12.474 -11.844) 22.301 4.943 ( -3.166 -28.218 9.224) 29.856 5.795 ( -2.040 -11.379 6.161) 13.099 6.548 ( 2.332 -4.938 -8.413) 10.029 7.077 ( -7.067 -20.777 3.559) 22.233 7.858 ( -5.228 -13.844 -1.543) 14.879 8.675 ( -1.646 -47.618 -0.142) 47.646 8.723 ( -8.832 21.113 -0.355) 22.888 15.731 ( 0.207 26.261 2.857) 26.417 17.687 ( 0.189 6.273 -1.066) 6.366 18.040 ( -1.174 -7.383 -0.705) 7.509 19.897 ( 8.188 11.495 -5.731) 15.232 ======================= Grid point 1468 (713/1062) ======================= q-point: (-0.05 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( -10.089 -15.837 -9.165) 20.895 5.249 ( -0.119 -2.318 11.583) 11.814 6.032 ( -5.924 -13.955 -3.461) 15.550 6.765 ( 2.737 -21.721 -5.816) 22.652 7.367 ( -7.868 -15.352 5.985) 18.259 7.990 ( -1.721 4.193 2.532) 5.192 8.324 ( -7.224 4.009 -5.545) 9.950 9.498 ( -0.837 -40.800 -1.189) 40.826 15.202 ( 0.142 31.779 4.857) 32.149 17.573 ( -0.723 5.120 -0.352) 5.183 18.226 ( -1.376 -12.705 -1.061) 12.824 19.680 ( 6.957 15.066 -7.186) 18.084 ======================= Grid point 1482 (714/1062) ======================= q-point: (-0.35 -0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -13.786 0.000 14.077) 19.703 2.495 ( -18.785 0.000 -4.287) 19.267 3.369 ( -16.010 0.000 16.981) 23.338 4.341 ( 4.410 -0.000 -8.420) 9.505 5.701 ( 5.369 -0.000 -2.291) 5.837 7.315 ( -13.037 0.000 -8.506) 15.566 7.714 ( -15.204 0.000 3.872) 15.690 11.135 ( 10.609 -0.000 3.303) 11.112 15.088 ( -1.735 0.000 1.353) 2.200 18.163 ( 2.067 -0.000 0.818) 2.223 18.315 ( -0.663 0.000 -1.304) 1.463 19.659 ( 1.030 -0.000 0.966) 1.412 ======================= Grid point 1483 (715/1062) ======================= q-point: (-0.30 -0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -19.003 -11.259 -1.395) 22.131 2.458 ( -14.127 -36.448 7.958) 39.891 3.355 ( -16.920 -6.577 16.609) 24.605 4.493 ( 3.919 -16.436 -7.602) 18.528 5.748 ( 5.911 -1.096 1.435) 6.181 7.166 ( -16.936 -1.624 -13.330) 21.614 7.574 ( -12.555 5.021 6.442) 14.978 11.015 ( 5.654 20.898 1.483) 21.700 15.170 ( -1.627 -9.455 1.486) 9.708 18.126 ( 1.963 3.158 0.444) 3.745 18.621 ( 4.612 -28.167 -2.588) 28.659 19.580 ( 1.527 10.601 3.450) 11.252 ======================= Grid point 1484 (716/1062) ======================= q-point: (-0.25 -0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -19.233 -11.732 -7.781) 23.835 2.989 ( -18.918 -16.647 10.112) 27.153 3.808 ( -9.499 -51.044 14.008) 53.777 4.887 ( 3.753 -25.764 -5.841) 26.683 5.868 ( 7.047 -5.019 6.603) 10.884 6.976 ( -19.911 -1.290 -16.968) 26.192 7.437 ( -9.234 3.465 6.893) 12.033 10.568 ( -3.355 26.604 0.367) 26.817 15.403 ( -1.308 -15.704 1.932) 15.876 18.082 ( 2.525 3.996 -0.296) 4.737 19.130 ( 4.903 -7.119 -9.158) 12.593 19.442 ( 9.092 -3.114 8.815) 13.040 ======================= Grid point 1485 (717/1062) ======================= q-point: (-0.20 -0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -18.155 -16.684 -12.759) 27.762 3.147 ( -17.542 -16.906 12.486) 27.376 4.829 ( -7.312 -52.909 11.489) 54.634 5.415 ( 5.614 -31.545 -4.027) 32.293 6.110 ( 6.265 -10.966 9.956) 16.082 6.784 ( -17.823 -4.966 -18.153) 25.921 7.376 ( -9.096 -1.549 4.889) 10.442 10.060 ( -8.362 23.742 0.307) 25.174 15.711 ( -1.022 -17.225 1.890) 17.358 18.012 ( 2.622 5.326 -1.716) 6.179 18.839 ( 0.328 24.228 -0.015) 24.231 19.854 ( 15.093 -14.852 -2.215) 21.290 ======================= Grid point 1486 (718/1062) ======================= q-point: (-0.15 -0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -17.944 -13.160 -12.633) 25.589 3.549 ( -11.969 -33.836 9.724) 37.184 5.518 ( -1.064 -20.306 13.257) 24.274 6.108 ( 5.850 -35.755 -5.591) 36.660 6.343 ( -8.754 -9.189 0.445) 12.699 6.907 ( -4.056 -31.805 -8.123) 33.076 7.404 ( -10.090 -7.970 4.233) 13.537 9.570 ( -10.352 22.466 -0.003) 24.737 15.989 ( -0.717 -11.384 1.697) 11.532 17.912 ( 2.149 6.392 -3.075) 7.412 18.388 ( -0.021 23.983 2.052) 24.071 20.098 ( 12.768 -2.302 -5.784) 14.204 ======================= Grid point 1487 (719/1062) ======================= q-point: (-0.10 -0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -15.770 -12.333 -9.271) 22.063 4.228 ( -7.387 -42.760 6.071) 43.816 5.762 ( -0.115 -1.841 10.785) 10.941 6.378 ( -4.482 -10.687 -12.236) 16.853 6.658 ( -1.279 -21.570 1.876) 21.689 7.507 ( -5.805 -19.649 -2.277) 20.615 7.749 ( -3.053 -47.038 4.664) 47.367 9.068 ( -11.119 23.245 -0.921) 25.784 16.058 ( -0.296 6.294 2.485) 6.773 17.796 ( 1.219 5.860 -2.554) 6.508 18.055 ( -0.524 11.345 1.078) 11.409 20.106 ( 10.092 6.880 -7.842) 14.515 ======================= Grid point 1488 (720/1062) ======================= q-point: (-0.05 -0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -11.530 -14.961 -5.594) 19.699 4.959 ( -3.954 -35.346 6.302) 36.121 5.767 ( -5.633 -2.173 -0.188) 6.040 6.519 ( 3.267 -9.306 -6.567) 11.849 6.999 ( -6.480 -19.368 2.802) 20.614 7.802 ( -2.442 -17.547 2.064) 17.836 8.538 ( -10.684 18.657 -3.343) 21.758 8.668 ( -1.549 -44.649 0.966) 44.686 15.770 ( 0.063 25.398 4.837) 25.855 17.680 ( 0.273 6.857 -1.012) 6.937 18.013 ( -1.109 -6.735 -1.220) 6.934 19.954 ( 8.106 12.602 -9.398) 17.687 ======================= Grid point 1503 (721/1062) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -15.161 0.000 16.177) 22.171 2.138 ( -21.787 0.000 -3.528) 22.070 3.241 ( -21.262 0.000 18.614) 28.258 4.329 ( 4.270 -0.000 -8.415) 9.437 5.780 ( 4.364 -0.000 0.974) 4.472 6.949 ( -18.630 0.000 -14.652) 23.702 7.564 ( -11.191 0.000 8.404) 13.995 11.312 ( 9.925 -0.000 -1.197) 9.997 15.070 ( -1.934 0.000 0.760) 2.078 18.196 ( 2.438 -0.000 -1.062) 2.659 18.295 ( -0.837 0.000 -0.333) 0.901 19.711 ( 1.887 -0.000 5.433) 5.752 ======================= Grid point 1504 (722/1062) ======================= q-point: (-0.25 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -21.727 -4.347 -2.830) 22.338 2.333 ( -15.124 -39.718 12.336) 44.254 3.232 ( -20.365 -10.914 19.768) 30.407 4.485 ( 4.080 -16.841 -7.436) 18.856 5.848 ( 3.054 -4.275 1.976) 5.613 6.730 ( -19.774 0.269 -14.848) 24.730 7.485 ( -8.287 4.347 8.833) 12.868 11.067 ( 1.460 27.981 -3.451) 28.231 15.158 ( -1.615 -10.249 1.421) 10.472 18.162 ( 2.569 2.747 -0.360) 3.778 18.667 ( 6.117 -32.508 -5.430) 33.521 19.671 ( 3.180 8.967 8.620) 12.838 ======================= Grid point 1505 (723/1062) ======================= q-point: (-0.20 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -19.947 -10.989 -5.550) 23.440 2.786 ( -20.881 -16.381 13.318) 29.693 3.789 ( -10.434 -53.223 15.227) 56.333 4.895 ( 4.047 -26.871 -5.672) 27.759 6.023 ( 3.574 -10.985 3.631) 12.109 6.495 ( -19.996 0.852 -13.974) 24.410 7.379 ( -6.318 4.488 6.924) 10.392 10.465 ( -8.803 29.308 -2.424) 30.697 15.402 ( -1.345 -15.985 2.438) 16.226 18.116 ( 2.916 4.382 -1.490) 5.470 19.118 ( 4.310 -1.524 -8.189) 9.378 19.695 ( 13.610 -9.397 6.473) 17.760 ======================= Grid point 1506 (724/1062) ======================= q-point: (-0.15 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -17.828 -15.157 -7.865) 24.686 2.996 ( -17.651 -20.675 14.128) 30.637 4.826 ( -7.011 -54.584 11.644) 56.251 5.450 ( 4.330 -33.369 -5.878) 34.158 6.264 ( -12.465 3.324 -0.483) 12.909 6.354 ( -0.862 -22.454 -7.615) 23.726 7.304 ( -6.500 1.042 5.450) 8.546 9.895 ( -12.157 23.531 -1.251) 26.516 15.715 ( -1.232 -17.212 2.568) 17.446 18.031 ( 2.692 6.105 -3.187) 7.394 18.851 ( 0.671 23.058 1.108) 23.094 20.064 ( 16.372 -10.576 -6.051) 20.409 ======================= Grid point 1507 (725/1062) ======================= q-point: (-0.10 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -16.149 -13.828 -5.657) 22.000 3.460 ( -11.125 -35.862 9.965) 38.848 5.608 ( -2.081 -26.628 11.125) 28.933 5.985 ( -9.763 -17.711 -17.774) 26.924 6.252 ( -1.243 -22.729 2.304) 22.879 6.861 ( 3.268 -34.190 -1.500) 34.378 7.319 ( -8.104 -7.213 7.323) 13.089 9.383 ( -12.640 22.014 -1.375) 25.422 15.995 ( -1.044 -11.668 2.482) 11.975 17.910 ( 1.987 7.004 -4.328) 8.469 18.415 ( 0.288 24.430 3.380) 24.664 20.224 ( 12.677 0.725 -9.962) 16.139 ======================= Grid point 1508 (726/1062) ======================= q-point: (-0.05 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -12.426 -14.478 -1.342) 19.126 4.174 ( -6.511 -44.178 5.535) 44.997 5.742 ( -7.890 1.818 -4.536) 9.280 6.247 ( -2.502 -21.570 0.026) 21.715 6.656 ( 1.684 -15.751 -3.858) 16.304 7.442 ( -3.515 -20.627 3.511) 21.217 7.748 ( -2.174 -46.461 3.903) 46.676 8.869 ( -12.181 22.759 -2.187) 25.906 16.080 ( -0.645 4.987 3.697) 6.242 17.787 ( 1.086 5.246 -3.189) 6.235 18.062 ( -0.199 13.908 1.705) 14.013 20.168 ( 9.480 8.581 -11.643) 17.293 ======================= Grid point 1524 (727/1062) ======================= q-point: (-0.25 -0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -22.355 0.000 0.160) 22.355 1.825 ( -16.133 0.000 18.556) 24.589 3.074 ( -25.068 0.000 23.486) 34.351 4.316 ( 4.225 -0.000 -8.462) 9.458 5.788 ( -4.592 0.000 -5.082) 6.850 6.544 ( -15.080 0.000 -8.786) 17.453 7.523 ( -5.594 0.000 10.986) 12.329 11.392 ( 6.343 -0.000 -10.491) 12.260 15.043 ( -1.984 0.000 0.157) 1.990 18.220 ( 2.704 -0.000 -2.361) 3.590 18.283 ( -0.918 0.000 0.643) 1.121 19.824 ( 3.342 -0.000 10.227) 10.759 ======================= Grid point 1525 (728/1062) ======================= q-point: (-0.20 -0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -20.994 -3.293 2.311) 21.376 2.214 ( -16.674 -35.227 15.183) 41.827 3.107 ( -21.882 -16.630 24.403) 36.755 4.480 ( 4.286 -17.581 -7.590) 19.623 5.759 ( -11.912 -9.095 -13.825) 20.390 6.407 ( -8.754 2.715 1.445) 9.279 7.484 ( -3.095 5.980 10.017) 12.070 10.974 ( -5.582 34.169 -10.505) 36.181 15.148 ( -1.381 -11.440 1.329) 11.600 18.198 ( 3.061 2.634 -1.493) 4.305 18.708 ( 7.217 -35.204 -8.041) 36.825 19.842 ( 6.104 5.894 12.121) 14.796 ======================= Grid point 1526 (729/1062) ======================= q-point: (-0.15 -0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -17.955 -9.700 1.625) 20.472 2.600 ( -21.364 -16.701 17.757) 32.414 3.772 ( -10.625 -55.044 16.265) 58.372 4.900 ( 3.475 -27.193 -6.480) 28.170 5.796 ( -17.136 -16.041 -23.811) 33.435 6.356 ( -0.690 1.249 14.007) 14.079 7.373 ( -2.564 7.121 6.460) 9.950 10.249 ( -14.239 28.878 -5.082) 32.596 15.407 ( -1.300 -16.230 2.814) 16.523 18.141 ( 2.982 5.012 -3.028) 6.571 19.115 ( 4.338 -0.567 -6.735) 8.031 19.968 ( 16.020 -8.734 1.432) 18.302 ======================= Grid point 1527 (730/1062) ======================= q-point: (-0.10 -0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -15.160 -13.670 1.343) 20.458 2.872 ( -16.350 -23.642 16.443) 33.115 4.830 ( -6.369 -56.099 11.416) 57.602 5.399 ( -3.171 -28.392 -11.934) 30.961 5.852 ( -11.589 -16.651 -17.408) 26.732 6.525 ( 4.386 -11.055 13.769) 18.194 7.273 ( -3.835 3.304 4.993) 7.110 9.667 ( -14.432 21.897 -2.624) 26.356 15.721 ( -1.381 -17.121 3.119) 17.458 18.034 ( 2.466 6.931 -4.718) 8.739 18.882 ( 1.017 21.900 2.565) 22.073 20.235 ( 15.538 -5.832 -11.072) 19.951 ======================= Grid point 1528 (731/1062) ======================= q-point: (-0.05 -0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -12.083 -14.437 4.314) 19.314 3.395 ( -9.510 -37.086 10.762) 39.770 5.549 ( -11.502 -10.628 -19.300) 24.854 5.718 ( -6.098 -35.640 9.535) 37.394 6.262 ( 3.563 -30.358 -5.992) 31.148 6.943 ( 4.294 -26.653 4.782) 27.417 7.283 ( -6.382 -7.525 8.734) 13.177 9.162 ( -12.930 21.137 -2.585) 24.912 16.003 ( -1.307 -11.981 3.162) 12.460 17.892 ( 1.667 7.334 -5.361) 9.236 18.460 ( 0.557 25.060 4.728) 25.509 20.298 ( 11.133 3.274 -14.172) 18.317 ======================= Grid point 1545 (732/1062) ======================= q-point: (-0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -20.151 0.000 7.410) 21.471 1.756 ( -16.507 0.000 20.967) 26.685 2.917 ( -26.999 0.000 30.221) 40.525 4.303 ( 4.275 -0.000 -8.557) 9.566 5.461 ( -19.060 0.000 -21.502) 28.733 6.411 ( -4.000 0.000 8.818) 9.682 7.600 ( 1.398 -0.000 12.447) 12.525 11.280 ( -1.185 0.000 -23.443) 23.473 15.012 ( -1.880 0.000 -0.384) 1.918 18.240 ( 3.031 -0.000 -2.571) 3.975 18.279 ( -0.894 0.000 1.518) 1.762 20.007 ( 5.781 -0.000 13.304) 14.506 ======================= Grid point 1546 (733/1062) ======================= q-point: (-0.15 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -17.757 -2.699 10.789) 20.952 2.106 ( -17.583 -30.313 19.105) 39.913 3.018 ( -21.505 -21.949 28.919) 42.197 4.473 ( 4.211 -17.979 -8.245) 20.223 5.288 ( -19.786 -10.225 -25.773) 34.063 6.432 ( -2.035 0.696 14.764) 14.920 7.577 ( 2.899 10.073 9.923) 14.434 10.689 ( -14.428 35.669 -16.650) 41.924 15.140 ( -1.046 -12.881 0.909) 12.955 18.225 ( 3.062 2.950 -3.035) 5.224 18.741 ( 7.457 -35.844 -9.371) 37.792 20.075 ( 9.278 3.460 10.824) 14.670 ======================= Grid point 1547 (734/1062) ======================= q-point: (-0.10 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -14.432 -8.252 11.302) 20.102 2.466 ( -19.929 -17.346 22.885) 34.954 3.766 ( -10.059 -56.124 16.807) 59.444 4.848 ( -2.200 -23.389 -10.944) 25.916 5.310 ( -11.736 -20.228 -24.061) 33.554 6.514 ( -0.044 -2.689 18.238) 18.435 7.418 ( 1.100 11.273 5.158) 12.446 9.943 ( -17.408 24.695 -6.348) 30.873 15.414 ( -1.251 -16.523 2.810) 16.807 18.150 ( 2.637 5.730 -4.620) 7.819 19.126 ( 4.297 -1.444 -5.381) 7.036 20.196 ( 14.988 -4.576 -5.387) 16.571 ======================= Grid point 1548 (735/1062) ======================= q-point: (-0.05 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -10.898 -12.613 11.997) 20.537 2.804 ( -13.660 -25.307 19.170) 34.562 4.840 ( -5.032 -56.904 9.388) 57.892 5.077 ( -14.584 -18.481 -20.998) 31.546 5.673 ( 2.281 -30.443 -10.666) 32.338 6.715 ( 2.163 -9.885 15.673) 18.655 7.275 ( -1.483 5.625 4.090) 7.111 9.413 ( -13.913 19.352 -3.498) 24.090 15.730 ( -1.484 -17.054 3.407) 17.454 18.019 ( 1.983 7.615 -5.954) 9.867 18.930 ( 1.205 20.757 4.050) 21.183 20.327 ( 12.399 -1.947 -16.134) 20.441 ======================= Grid point 1566 (736/1062) ======================= q-point: (-0.15 -0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -17.225 0.000 15.068) 22.886 1.707 ( -16.129 0.000 23.061) 28.142 2.817 ( -26.206 0.000 37.563) 45.801 4.289 ( 4.412 -0.000 -8.692) 9.748 4.906 ( -20.295 0.000 -27.701) 34.340 6.492 ( -2.599 0.000 16.852) 17.052 7.796 ( 9.350 -0.000 10.944) 14.394 10.898 ( -13.469 0.000 -33.380) 35.995 14.979 ( -1.633 0.000 -0.805) 1.821 18.267 ( 3.284 -0.000 -2.367) 4.048 18.283 ( -0.759 0.000 2.202) 2.329 20.237 ( 7.890 -0.000 11.565) 14.000 ======================= Grid point 1567 (737/1062) ======================= q-point: (-0.10 -0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -15.381 -3.266 17.426) 23.471 2.037 ( -16.535 -27.372 23.577) 39.730 2.987 ( -19.262 -24.501 32.632) 45.124 4.434 ( 0.391 -14.334 -11.630) 18.463 4.760 ( -13.093 -15.254 -26.329) 33.126 6.562 ( -2.132 -0.912 19.236) 19.375 7.748 ( 8.226 16.546 6.987) 19.755 10.239 ( -21.396 28.950 -17.410) 39.987 15.130 ( -0.855 -14.355 0.050) 14.381 18.234 ( 2.486 3.422 -4.398) 6.102 18.761 ( 6.336 -34.842 -9.400) 36.640 20.300 ( 9.104 3.897 4.740) 10.979 ======================= Grid point 1568 (738/1062) ======================= q-point: (-0.05 -0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -11.376 -8.792 18.506) 23.434 2.422 ( -16.068 -17.645 27.808) 36.644 3.775 ( -8.814 -56.063 16.510) 59.105 4.551 ( -12.423 -15.240 -23.392) 30.558 5.082 ( 2.670 -29.854 -13.801) 32.998 6.685 ( -0.804 -4.032 19.709) 20.133 7.494 ( 3.369 16.007 2.973) 16.626 9.617 ( -16.124 18.230 -5.874) 25.036 15.418 ( -1.281 -17.053 2.343) 17.261 18.137 ( 1.961 6.384 -5.787) 8.837 19.144 ( 3.861 -3.833 -4.500) 7.061 20.316 ( 9.998 0.450 -10.954) 14.838 ======================= Grid point 1587 (739/1062) ======================= q-point: (-0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -17.136 0.000 18.964) 25.559 1.688 ( -14.973 0.000 24.464) 28.682 2.820 ( -21.928 0.000 43.396) 48.621 4.277 ( 4.628 -0.000 -8.846) 9.983 4.354 ( -15.132 0.000 -29.622) 33.263 6.628 ( -2.281 0.000 20.193) 20.321 8.069 ( 15.616 -0.000 3.416) 15.985 10.286 ( -24.257 0.000 -29.625) 38.289 14.947 ( -1.269 0.000 -1.064) 1.656 18.291 ( 2.653 -0.000 -2.721) 3.800 18.296 ( -0.523 0.000 2.627) 2.679 20.434 ( 5.956 -0.000 5.762) 8.288 ======================= Grid point 1588 (740/1062) ======================= q-point: (-0.05 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -14.760 -6.199 20.100) 25.696 2.040 ( -13.188 -28.135 26.256) 40.680 3.033 ( -15.535 -22.570 34.872) 44.349 4.144 ( -10.177 -6.274 -26.208) 28.806 4.535 ( 3.723 -23.962 -12.936) 27.484 6.722 ( -1.257 -1.527 20.491) 20.586 7.933 ( 9.970 23.482 0.330) 25.513 9.761 ( -20.336 16.443 -11.696) 28.648 15.113 ( -0.875 -15.577 -0.847) 15.625 18.221 ( 1.567 4.039 -4.997) 6.614 18.759 ( 3.991 -33.092 -8.284) 34.346 20.425 ( 4.174 6.301 -0.168) 7.560 ======================= Grid point 1608 (741/1062) ======================= q-point: (-0.05 -0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -15.148 0.000 20.505) 25.494 1.700 ( -13.194 0.000 24.903) 28.183 2.942 ( -16.051 0.000 44.729) 47.522 3.901 ( -7.347 0.000 -28.894) 29.813 4.268 ( 4.910 -0.000 -8.995) 10.248 6.798 ( -0.188 0.000 20.063) 20.064 8.291 ( 14.448 -0.000 -9.405) 17.240 9.700 ( -21.136 0.000 -14.155) 25.438 14.920 ( -0.823 0.000 -1.143) 1.409 18.292 ( 0.909 -0.000 -3.139) 3.268 18.316 ( -0.207 0.000 2.759) 2.767 20.521 ( 0.681 -0.000 2.638) 2.725 ======================= Grid point 1609 (742/1062) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -0.860 0.000 19.418) 19.437 2.131 ( -7.025 0.000 15.041) 16.601 2.999 ( -0.019 0.000 -22.505) 22.505 3.913 ( -6.543 0.000 26.226) 27.030 4.096 ( 4.105 -0.000 -7.290) 8.366 7.255 ( 1.630 -0.000 9.508) 9.647 7.980 ( 1.720 -0.000 -13.753) 13.860 9.364 ( -1.092 0.000 -2.577) 2.799 14.884 ( -0.207 0.000 -0.623) 0.657 18.217 ( -0.611 0.000 -1.688) 1.795 18.382 ( 0.092 -0.000 1.582) 1.584 20.579 ( -1.296 0.000 1.984) 2.369 ======================= Grid point 1610 (743/1062) ======================= q-point: ( 0.05 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 8.520 -14.723 19.260) 25.696 2.586 ( -5.572 -41.183 14.875) 44.139 2.940 ( 1.650 -4.881 -21.356) 21.969 3.879 ( -1.856 6.172 12.409) 13.983 4.347 ( 1.585 -22.762 -1.157) 22.847 7.323 ( 2.533 -1.392 6.699) 7.296 7.780 ( -1.087 13.488 -8.102) 15.771 9.315 ( 3.827 5.564 -1.856) 7.003 15.044 ( -0.267 -16.300 -0.693) 16.317 18.089 ( -0.533 7.623 -1.880) 7.869 18.660 ( -0.299 -22.677 -0.670) 22.689 20.445 ( -1.904 13.896 1.381) 14.094 ======================= Grid point 1611 (744/1062) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 13.229 -21.937 21.195) 33.248 2.937 ( 1.110 -8.222 -20.455) 22.074 3.444 ( -3.847 -27.788 22.345) 35.864 3.948 ( 2.549 -25.635 -8.436) 27.108 4.864 ( 0.271 -32.107 -0.274) 32.110 7.360 ( 0.264 5.116 0.593) 5.157 7.539 ( 0.800 4.392 0.499) 4.492 9.199 ( 7.137 11.181 -1.240) 13.322 15.398 ( -0.818 -21.478 0.383) 21.497 17.930 ( -0.500 8.316 -2.141) 8.602 19.078 ( -0.888 -21.988 -1.393) 22.050 20.074 ( -2.128 24.623 -0.647) 24.723 ======================= Grid point 1612 (745/1062) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 3.420 -14.229 17.017) 22.444 3.052 ( 9.838 -19.325 -19.851) 29.399 3.690 ( 2.219 -5.645 13.996) 15.253 4.824 ( 2.365 -55.853 -6.428) 56.272 5.477 ( -1.242 -34.343 1.791) 34.412 7.207 ( -2.320 4.507 -2.060) 5.471 7.626 ( 3.917 -6.551 2.494) 8.030 9.007 ( 9.345 16.346 -0.673) 18.840 15.778 ( -1.265 -19.901 1.506) 19.998 17.766 ( -0.375 8.065 -1.643) 8.239 19.371 ( -1.681 -4.388 7.568) 8.908 19.550 ( -2.159 22.880 -10.036) 25.077 ======================= Grid point 1613 (746/1062) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -4.837 -10.207 -19.311) 22.372 3.614 ( 12.379 -24.399 12.006) 29.878 3.984 ( 7.997 -15.714 10.867) 20.711 5.697 ( 3.072 -35.939 -5.172) 36.439 6.107 ( -1.282 -34.756 3.385) 34.944 7.241 ( -2.248 -13.583 -2.228) 13.946 7.821 ( 4.236 -10.292 1.146) 11.189 8.746 ( 10.585 20.311 -0.283) 22.905 16.106 ( -1.431 -16.104 1.818) 16.269 17.628 ( -0.086 5.794 -0.918) 5.866 18.875 ( -2.034 35.062 0.816) 35.130 19.539 ( -2.293 -3.638 -2.670) 5.062 ======================= Grid point 1614 (747/1062) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -7.060 -11.815 -20.711) 24.868 4.217 ( 13.401 -23.378 13.503) 30.140 4.452 ( 7.254 -24.003 8.084) 26.346 6.097 ( 1.692 -10.338 -0.758) 10.502 6.703 ( 1.873 -27.537 -0.508) 27.606 7.662 ( -1.141 -30.871 -2.349) 30.981 8.095 ( 3.295 -17.465 1.707) 17.855 8.444 ( 10.449 20.500 -0.775) 23.022 16.330 ( -1.780 -7.349 1.143) 7.647 17.554 ( 0.301 2.010 -0.200) 2.042 18.256 ( -1.438 28.956 -0.788) 29.002 19.496 ( -2.569 5.426 0.248) 6.009 ======================= Grid point 1615 (748/1062) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( -8.245 -14.149 -19.266) 25.286 4.726 ( 16.318 -10.787 18.305) 26.790 5.088 ( 2.780 -38.775 1.232) 38.894 6.203 ( 1.307 -1.889 1.177) 2.582 7.104 ( 6.008 -12.324 -0.612) 13.724 8.086 ( 1.439 -15.182 -3.122) 15.566 8.163 ( 6.437 12.983 1.662) 14.586 8.658 ( 1.361 -37.598 -0.304) 37.624 16.256 ( -2.732 15.634 -1.551) 15.946 17.558 ( 0.689 -1.775 0.317) 1.930 17.906 ( 0.009 6.056 0.316) 6.064 19.319 ( -2.652 11.803 2.233) 12.301 ======================= Grid point 1616 (749/1062) ======================= q-point: ( 0.35 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( -8.620 -15.970 -16.647) 24.627 5.052 ( 12.893 -4.168 14.533) 19.870 5.849 ( 3.459 -38.306 -0.857) 38.471 6.250 ( 0.742 -3.770 4.066) 5.594 7.199 ( 13.197 10.425 5.150) 17.589 8.102 ( 0.821 -4.290 -1.873) 4.753 8.304 ( -0.851 -10.323 -3.839) 11.047 9.371 ( 1.090 -37.190 0.681) 37.212 15.751 ( -2.971 32.511 -3.634) 32.848 17.617 ( 1.331 -4.070 -2.089) 4.764 18.001 ( 0.693 -11.760 3.137) 12.191 19.068 ( -2.684 14.336 4.138) 15.161 ======================= Grid point 1617 (750/1062) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( -8.272 -15.417 -13.506) 22.103 5.210 ( 8.375 1.602 7.599) 11.422 6.165 ( 2.033 -1.346 -2.307) 3.357 6.718 ( 2.209 -35.773 6.807) 36.482 7.092 ( 15.154 14.695 12.052) 24.307 8.228 ( -1.260 -9.405 -5.851) 11.148 8.427 ( -3.340 -6.701 -2.978) 8.058 9.994 ( 1.001 -28.974 0.792) 29.002 15.097 ( -2.430 32.914 -3.672) 33.207 17.694 ( 1.887 -3.852 -4.190) 5.996 18.264 ( 0.545 -12.653 3.042) 13.025 18.832 ( -2.450 10.450 5.970) 12.282 ======================= Grid point 1618 (751/1062) ======================= q-point: ( 0.45 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( -6.850 -10.130 -10.192) 15.920 5.210 ( 4.205 5.185 2.371) 7.084 6.168 ( 1.198 0.646 -1.107) 1.754 7.068 ( 12.869 6.123 14.974) 20.671 7.350 ( 1.359 -26.196 5.109) 26.724 8.327 ( -1.127 -5.037 -6.446) 8.257 8.464 ( -4.802 -2.375 -3.189) 6.234 10.427 ( 0.696 -16.865 0.332) 16.882 14.543 ( -1.648 22.908 -2.045) 23.058 17.720 ( 1.229 1.001 -2.792) 3.211 18.433 ( -0.017 -4.901 -1.129) 5.029 18.769 ( -0.816 -2.138 6.564) 6.952 ======================= Grid point 1619 (752/1062) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( -4.166 0.876 -6.720) 7.955 5.166 ( 0.475 1.260 1.708) 2.175 6.161 ( 0.486 0.265 -0.918) 1.072 7.189 ( 6.927 -3.425 11.593) 13.932 7.686 ( -0.783 -7.730 0.636) 7.795 8.279 ( -5.064 7.465 -0.888) 9.064 8.456 ( 0.323 -2.609 -5.892) 6.452 10.602 ( 0.308 -1.676 -0.767) 1.869 14.270 ( -0.848 4.715 1.224) 4.944 17.657 ( -0.530 4.980 1.293) 5.172 18.496 ( 0.250 -4.177 -4.498) 6.143 18.880 ( 1.058 -5.812 2.296) 6.339 ======================= Grid point 1620 (753/1062) ======================= q-point: (-0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( -1.721 11.789 -2.765) 12.231 5.209 ( -2.735 -5.507 2.661) 6.700 6.154 ( -0.212 0.410 -0.774) 0.902 7.369 ( 0.176 -6.469 3.587) 7.399 7.620 ( -3.040 9.917 -7.018) 12.524 8.021 ( -5.992 13.880 3.790) 15.586 8.469 ( 3.055 1.969 -2.379) 4.343 10.480 ( -0.086 14.364 -2.092) 14.516 14.381 ( -0.132 -15.098 5.199) 15.968 17.575 ( -1.497 3.700 3.401) 5.244 18.514 ( -0.408 1.400 -3.652) 3.932 19.018 ( 3.280 -9.061 -5.338) 11.016 ======================= Grid point 1621 (754/1062) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( -0.839 16.973 1.581) 17.068 5.319 ( -5.201 -7.528 2.208) 9.413 6.112 ( -1.177 4.713 -0.419) 4.875 7.068 ( -1.296 29.472 -9.502) 30.993 7.581 ( -11.089 -6.125 -11.123) 16.858 7.821 ( -1.654 4.012 13.117) 13.817 8.386 ( 2.726 9.093 0.064) 9.493 10.071 ( -0.485 28.395 -2.745) 28.531 14.823 ( 0.435 -28.121 8.324) 29.330 17.541 ( -1.318 0.401 2.757) 3.082 18.387 ( -1.111 9.851 -2.663) 10.265 19.221 ( 4.813 -13.559 -11.043) 18.137 ======================= Grid point 1622 (755/1062) ======================= q-point: (-0.35 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -0.913 17.788 6.165) 18.848 5.375 ( -7.664 -1.498 -0.342) 7.817 5.841 ( -3.903 25.063 -2.364) 25.475 6.559 ( 1.180 15.130 -9.873) 18.105 7.358 ( -8.377 14.018 -0.650) 16.343 7.989 ( -6.553 -16.006 1.811) 17.390 8.191 ( 1.037 13.749 1.922) 13.921 9.434 ( -0.842 38.925 -2.145) 38.993 15.428 ( 0.704 -31.151 9.880) 32.688 17.567 ( -0.453 -3.203 0.596) 3.289 18.146 ( -1.139 12.847 -3.122) 13.270 19.466 ( 5.436 -14.729 -13.377) 20.626 ======================= Grid point 1623 (756/1062) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -1.076 16.654 11.110) 20.049 5.004 ( -5.342 38.445 2.180) 38.876 5.418 ( -10.469 5.512 -13.008) 17.584 6.406 ( 2.576 2.996 -6.880) 7.934 6.992 ( -5.160 20.930 3.781) 21.885 7.913 ( 0.286 17.576 5.385) 18.385 8.263 ( -10.385 -18.303 -3.376) 21.313 8.658 ( -1.217 41.836 -0.023) 41.854 15.979 ( 0.401 -21.192 9.109) 23.070 17.650 ( 0.602 -4.983 -1.948) 5.384 17.948 ( -0.712 3.001 -1.963) 3.656 19.700 ( 5.854 -12.831 -14.535) 20.253 ======================= Grid point 1624 (757/1062) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -0.987 14.998 16.405) 22.250 4.241 ( -5.304 39.081 5.526) 39.825 5.123 ( -13.671 9.766 -19.944) 26.077 6.331 ( 2.425 6.368 -6.350) 9.314 6.541 ( -2.316 27.956 3.711) 28.296 7.574 ( 1.936 25.706 3.839) 26.063 7.859 ( -4.682 31.921 8.008) 33.241 8.591 ( -10.428 -21.101 -4.491) 23.962 16.209 ( -0.344 0.194 5.506) 5.520 17.683 ( 0.794 -2.086 -4.900) 5.385 18.141 ( 0.602 -21.709 3.547) 22.005 19.874 ( 6.255 -8.493 -15.905) 19.085 ======================= Grid point 1625 (758/1062) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -1.151 13.456 21.385) 25.292 3.610 ( -6.515 28.509 12.137) 31.663 4.666 ( -14.365 16.291 -24.080) 32.428 5.905 ( -1.001 42.202 -3.466) 42.356 6.049 ( 0.925 25.414 -1.579) 25.480 7.149 ( 5.061 16.096 2.610) 17.074 7.524 ( -5.773 11.172 13.478) 18.434 8.868 ( -10.552 -20.077 -4.559) 23.135 16.079 ( -0.694 13.541 2.901) 13.866 17.745 ( 1.073 -6.341 -5.817) 8.672 18.651 ( 0.964 -27.716 7.578) 28.749 19.948 ( 6.362 -3.007 -18.015) 19.341 ======================= Grid point 1626 (759/1062) ======================= q-point: (-0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -2.972 13.022 24.395) 27.812 3.234 ( -7.960 15.047 20.216) 26.429 4.115 ( -12.333 19.068 -25.329) 34.019 4.968 ( -2.184 54.308 -2.738) 54.421 5.491 ( 1.548 33.512 -2.781) 33.663 7.099 ( 4.875 -0.283 5.782) 7.568 7.422 ( -3.704 1.374 9.229) 10.039 9.104 ( -9.874 -16.574 -4.402) 19.788 15.786 ( -0.724 18.359 1.503) 18.434 17.861 ( 1.181 -8.089 -5.875) 10.067 19.118 ( 1.349 -13.829 7.591) 15.833 19.950 ( 5.029 -4.614 -17.658) 18.931 ======================= Grid point 1627 (760/1062) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -6.698 14.432 24.292) 29.039 3.055 ( -9.049 14.915 25.732) 31.089 3.561 ( -5.851 21.426 -24.229) 32.869 4.042 ( -4.712 35.085 -0.005) 35.401 4.872 ( 1.693 32.883 -3.614) 33.124 7.171 ( 1.614 1.212 12.319) 12.483 7.545 ( 1.544 -13.765 -1.443) 13.927 9.271 ( -8.565 -11.698 -4.265) 15.112 15.425 ( -0.668 20.479 -0.456) 20.495 17.992 ( 0.998 -7.825 -4.964) 9.320 19.093 ( 2.201 17.734 -2.321) 18.021 20.148 ( 1.588 -18.323 -5.276) 19.134 ======================= Grid point 1628 (761/1062) ======================= q-point: (-0.05 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -7.710 12.124 21.811) 26.118 2.534 ( -7.328 38.839 17.522) 43.234 3.160 ( -2.461 5.592 -24.317) 25.073 3.794 ( -5.949 -1.462 17.420) 18.466 4.341 ( 2.097 23.351 -3.546) 23.712 7.209 ( 0.823 1.397 12.041) 12.150 7.847 ( 3.720 -16.387 -9.894) 19.501 9.356 ( -5.952 -5.843 -3.717) 9.131 15.060 ( -0.515 16.670 -1.405) 16.737 18.113 ( 0.434 -7.161 -3.041) 7.792 18.669 ( 0.561 23.992 -1.423) 24.041 20.452 ( -0.214 -13.107 0.732) 13.130 ======================= Grid point 1630 (762/1062) ======================= q-point: ( 0.05 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 18.457 -0.000 15.921) 24.375 2.167 ( -5.439 0.000 13.410) 14.471 2.833 ( 2.324 -0.000 -17.419) 17.573 4.054 ( -3.208 0.000 19.784) 20.043 4.094 ( 4.409 -0.000 -7.162) 8.410 7.358 ( 3.541 -0.000 3.564) 5.024 7.852 ( -3.920 0.000 -8.912) 9.735 9.409 ( 8.428 -0.000 -1.087) 8.498 14.881 ( 0.289 -0.000 -0.168) 0.335 18.186 ( -2.023 0.000 -0.416) 2.065 18.398 ( 0.439 -0.000 0.775) 0.890 20.566 ( -2.725 0.000 2.163) 3.479 ======================= Grid point 1631 (763/1062) ======================= q-point: ( 0.10 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 22.656 -13.740 13.818) 29.883 2.636 ( -3.096 -39.745 9.789) 41.050 2.806 ( 1.680 -6.398 -12.419) 14.070 3.962 ( 1.996 8.303 5.392) 10.099 4.370 ( 1.534 -21.315 1.008) 21.394 7.402 ( 2.927 -0.265 -0.351) 2.960 7.678 ( -3.962 9.507 -3.830) 10.989 9.428 ( 11.384 6.225 -0.104) 12.975 15.039 ( 0.033 -15.768 0.156) 15.769 18.062 ( -1.416 7.632 -0.571) 7.783 18.648 ( -0.784 -21.133 -0.239) 21.149 20.420 ( -3.124 14.209 1.706) 14.648 ======================= Grid point 1632 (764/1062) ======================= q-point: ( 0.15 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 14.460 -11.959 -25.496) 31.657 2.832 ( 5.952 -12.250 23.850) 27.465 3.611 ( -1.297 -41.132 20.832) 46.124 3.926 ( 7.270 -12.657 -10.257) 17.841 4.870 ( 0.454 -31.107 0.499) 31.114 7.305 ( -4.377 8.645 -4.215) 10.567 7.586 ( 4.104 -1.533 0.106) 4.382 9.356 ( 12.916 12.213 0.872) 17.797 15.393 ( -0.788 -21.293 1.126) 21.338 17.906 ( -1.102 8.169 -0.449) 8.256 19.043 ( -2.078 -21.758 -0.993) 21.879 20.035 ( -3.163 25.406 1.064) 25.624 ======================= Grid point 1633 (765/1062) ======================= q-point: ( 0.20 0.05 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -0.463 -6.559 -22.686) 23.620 3.343 ( 8.463 -18.614 14.475) 25.053 3.947 ( 16.186 -6.795 13.149) 21.933 4.818 ( 2.423 -57.100 -2.712) 57.216 5.477 ( -0.938 -34.257 1.822) 34.318 7.126 ( -4.543 2.903 -3.748) 6.566 7.701 ( 5.319 -6.616 -2.096) 8.744 9.193 ( 13.599 17.557 1.541) 22.261 15.772 ( -1.324 -19.852 1.608) 19.961 17.750 ( -0.738 7.742 0.169) 7.779 19.337 ( -2.958 -9.806 -6.989) 12.400 19.494 ( -3.150 28.338 6.967) 29.352 ======================= Grid point 1634 (766/1062) ======================= q-point: ( 0.25 0.05 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -3.657 -7.940 -21.294) 23.018 3.804 ( 3.160 -24.385 5.373) 25.169 4.369 ( 22.148 -12.585 16.834) 30.533 5.718 ( 3.252 -35.812 -0.908) 35.971 6.115 ( -0.842 -35.519 1.893) 35.579 7.165 ( -3.982 -15.214 -3.779) 16.175 7.881 ( 4.867 -10.251 -3.633) 11.916 8.946 ( 13.639 21.808 2.183) 25.814 16.098 ( -1.446 -15.911 1.170) 16.019 17.625 ( -0.263 5.447 0.818) 5.515 18.824 ( -2.590 33.715 -3.623) 34.008 19.503 ( -3.586 -3.035 4.313) 6.378 ======================= Grid point 1635 (767/1062) ======================= q-point: ( 0.30 0.05 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( -5.230 -10.411 -18.572) 21.924 4.378 ( 3.279 -33.901 2.157) 34.128 4.834 ( 20.400 -10.276 17.762) 28.935 6.130 ( 1.851 -9.881 1.773) 10.208 6.716 ( 1.643 -28.843 -2.431) 28.992 7.608 ( -2.562 -33.145 -2.948) 33.375 8.139 ( 3.338 -18.342 -3.339) 18.940 8.641 ( 12.956 23.876 3.085) 27.340 16.304 ( -1.783 -5.966 -0.806) 6.278 17.564 ( 0.215 1.611 1.552) 2.247 18.217 ( -1.619 26.963 -2.067) 27.090 19.472 ( -3.516 5.378 4.631) 7.920 ======================= Grid point 1636 (768/1062) ======================= q-point: ( 0.35 0.05 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( -5.711 -13.138 -15.019) 20.756 5.071 ( 7.447 -30.053 5.586) 31.462 5.228 ( 13.393 -15.218 11.754) 23.434 6.237 ( 0.948 -1.858 1.910) 2.829 7.171 ( 4.459 -19.389 -2.227) 20.019 8.042 ( -1.291 -16.540 -5.129) 17.365 8.331 ( 10.702 20.918 3.736) 23.792 8.677 ( 1.276 -38.014 0.035) 38.035 16.184 ( -2.702 17.196 -4.611) 18.007 17.578 ( 0.555 -1.111 1.532) 1.972 17.913 ( 0.240 3.254 0.834) 3.368 19.311 ( -3.278 11.536 5.704) 13.280 ======================= Grid point 1637 (769/1062) ======================= q-point: ( 0.40 0.05 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -5.619 -15.144 -11.347) 19.740 5.371 ( 12.753 1.330 10.134) 16.343 5.905 ( 4.833 -34.883 -0.448) 35.219 6.300 ( -0.149 -7.018 5.252) 8.767 7.434 ( 10.914 -1.113 3.789) 11.606 8.125 ( 3.298 5.598 0.198) 6.501 8.238 ( -2.023 -9.111 -4.933) 10.556 9.397 ( 1.079 -37.279 1.223) 37.315 15.659 ( -2.860 31.903 -6.068) 32.601 17.618 ( 1.369 -3.045 -2.164) 3.978 18.048 ( 0.895 -12.339 4.036) 13.013 19.076 ( -3.073 13.981 7.078) 15.969 ======================= Grid point 1638 (770/1062) ======================= q-point: ( 0.45 0.05 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( -5.013 -15.069 -7.772) 17.681 5.400 ( 8.536 7.580 4.083) 12.123 6.175 ( 2.379 -1.238 -2.600) 3.735 6.818 ( 1.780 -35.316 8.159) 36.289 7.434 ( 13.789 12.890 11.541) 22.125 8.157 ( -0.229 -7.444 -6.707) 10.022 8.335 ( -4.769 -6.142 -2.668) 8.221 10.019 ( 1.020 -28.564 1.320) 28.612 15.017 ( -2.319 31.314 -5.212) 31.830 17.681 ( 1.925 -3.593 -4.648) 6.182 18.304 ( 0.647 -10.901 3.502) 11.468 18.860 ( -2.575 9.655 8.103) 12.865 ======================= Grid point 1639 (771/1062) ======================= q-point: ( 0.50 0.05 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( -3.464 -10.847 -4.118) 12.109 5.297 ( 4.742 9.378 0.742) 10.535 6.175 ( 1.340 0.954 -1.345) 2.125 7.354 ( 7.416 6.735 7.709) 12.641 7.427 ( 2.696 -20.491 7.570) 22.010 8.259 ( -0.981 -5.300 -4.609) 7.092 8.365 ( -3.518 -3.163 -2.460) 5.332 10.443 ( 0.791 -15.984 0.685) 16.018 14.495 ( -1.590 20.570 -2.732) 20.812 17.710 ( 1.198 0.243 -3.334) 3.551 18.430 ( -0.068 -2.187 0.663) 2.286 18.818 ( -0.707 -2.365 6.106) 6.586 ======================= Grid point 1640 (772/1062) ======================= q-point: (-0.45 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( -0.647 -0.665 -0.084) 0.932 5.188 ( 0.878 4.219 0.532) 4.342 6.161 ( 0.666 0.741 -0.878) 1.327 7.311 ( -0.252 1.861 0.092) 1.881 7.688 ( 1.181 -2.249 1.368) 2.885 8.194 ( -5.909 7.415 2.252) 9.745 8.454 ( 3.920 -5.426 -2.086) 7.011 10.602 ( 0.451 -0.509 -0.631) 0.928 14.268 ( -0.834 1.903 1.307) 2.455 17.661 ( -0.477 4.250 1.262) 4.459 18.466 ( 0.283 -2.854 -2.871) 4.058 18.909 ( 0.977 -4.467 0.516) 4.601 ======================= Grid point 1641 (773/1062) ======================= q-point: (-0.40 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( 2.149 11.359 4.409) 12.373 5.179 ( -2.863 -3.379 0.685) 4.482 6.148 ( 0.163 0.903 -0.451) 1.022 7.276 ( -8.688 -3.664 -9.815) 13.610 7.519 ( -0.909 18.925 -7.017) 20.205 8.023 ( -2.112 9.030 10.440) 13.964 8.520 ( 4.126 2.094 0.452) 4.650 10.460 ( 0.046 15.377 -2.079) 15.517 14.431 ( -0.127 -17.541 5.782) 18.470 17.588 ( -1.232 3.758 3.894) 5.550 18.476 ( -0.327 1.671 -3.185) 3.612 19.008 ( 2.911 -7.485 -7.082) 10.707 ======================= Grid point 1642 (774/1062) ======================= q-point: (-0.35 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 3.400 17.979 9.041) 20.409 5.232 ( -5.860 -4.991 -1.513) 7.845 6.101 ( -0.383 5.877 0.411) 5.904 6.946 ( -2.606 29.243 -10.428) 31.156 7.270 ( -12.581 -5.638 -14.273) 19.844 7.934 ( 0.314 6.072 12.883) 14.246 8.441 ( 2.875 9.838 1.598) 10.373 10.039 ( -0.359 28.816 -2.765) 28.951 14.912 ( 0.391 -29.570 9.174) 30.963 17.552 ( -0.901 1.076 3.291) 3.578 18.344 ( -1.038 10.236 -2.856) 10.678 19.180 ( 4.186 -13.104 -12.424) 18.536 ======================= Grid point 1643 (775/1062) ======================= q-point: (-0.30 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( 3.700 19.268 13.646) 23.899 5.207 ( -8.971 0.573 -6.815) 11.281 5.784 ( -1.934 30.962 -0.690) 31.030 6.475 ( 0.097 10.799 -10.062) 14.760 7.175 ( -10.885 2.226 -5.731) 12.501 7.948 ( -2.577 -4.590 5.291) 7.463 8.238 ( 1.246 14.870 3.116) 15.244 9.402 ( -0.636 38.540 -2.196) 38.607 15.535 ( 0.491 -31.260 10.931) 33.120 17.569 ( -0.072 -2.480 0.729) 2.586 18.098 ( -1.002 12.761 -3.505) 13.271 19.414 ( 4.500 -14.972 -14.145) 21.083 ======================= Grid point 1644 (776/1062) ======================= q-point: (-0.25 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 3.896 17.994 18.174) 25.870 4.907 ( -8.274 27.890 -3.361) 29.284 5.159 ( -5.736 20.990 -11.853) 24.778 6.362 ( 1.088 1.333 -8.184) 8.363 6.947 ( -5.235 15.385 3.316) 16.586 7.965 ( -0.199 17.228 5.228) 18.005 8.102 ( -6.529 -13.659 -1.884) 15.256 8.642 ( -0.703 41.314 -0.296) 41.321 16.072 ( -0.039 -19.132 10.071) 21.621 17.639 ( 0.739 -3.499 -2.905) 4.607 17.923 ( -0.476 -0.136 -1.332) 1.421 19.643 ( 4.528 -13.158 -14.749) 20.277 ======================= Grid point 1645 (777/1062) ======================= q-point: (-0.20 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 4.092 16.274 22.262) 27.878 4.214 ( -4.627 36.440 4.635) 37.024 4.734 ( -10.898 14.449 -21.459) 28.072 6.277 ( 1.520 7.061 -10.469) 12.719 6.560 ( -1.854 26.526 6.086) 27.279 7.634 ( 1.645 24.925 2.662) 25.120 7.866 ( -4.511 27.837 8.777) 29.535 8.417 ( -5.941 -17.842 -4.805) 19.409 16.254 ( -0.747 2.657 5.879) 6.495 17.648 ( 0.690 -1.869 -5.075) 5.452 18.186 ( 0.588 -24.621 4.063) 24.961 19.807 ( 4.365 -8.419 -15.715) 18.355 ======================= Grid point 1646 (778/1062) ======================= q-point: (-0.15 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 3.732 15.692 25.100) 29.836 3.635 ( -4.580 26.123 10.733) 28.611 4.242 ( -10.687 17.781 -24.111) 31.807 5.842 ( 1.704 39.746 -10.447) 41.131 6.059 ( -1.454 28.340 4.020) 28.661 7.231 ( 3.169 13.751 1.390) 14.180 7.573 ( -3.644 11.114 12.595) 17.188 8.697 ( -5.611 -18.925 -4.627) 20.274 16.093 ( -0.948 14.403 2.927) 14.728 17.707 ( 0.763 -6.288 -5.224) 8.210 18.738 ( 0.546 -29.337 8.170) 30.459 19.858 ( 3.746 -2.268 -17.672) 18.207 ======================= Grid point 1647 (779/1062) ======================= q-point: (-0.10 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 2.341 17.617 25.740) 31.279 3.304 ( -4.806 13.296 13.628) 19.637 3.737 ( -7.685 16.720 -20.011) 27.186 4.912 ( 0.174 54.668 -6.113) 55.009 5.487 ( 0.057 33.781 -0.717) 33.789 7.200 ( 2.939 -3.377 2.497) 5.126 7.465 ( -1.590 3.799 8.973) 9.872 8.958 ( -3.681 -15.551 -3.848) 16.437 15.786 ( -0.948 19.027 1.378) 19.100 17.825 ( 0.639 -8.242 -4.850) 9.585 19.211 ( 0.673 -11.221 8.816) 14.286 19.839 ( 1.806 -7.276 -17.061) 18.636 ======================= Grid point 1648 (780/1062) ======================= q-point: (-0.05 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 2.312 20.022 23.608) 31.042 3.095 ( -4.168 11.688 -2.128) 12.590 3.353 ( -3.821 22.857 3.187) 23.392 3.990 ( -0.459 32.177 -3.894) 32.415 4.866 ( 0.739 32.709 -1.783) 32.766 7.295 ( 1.831 0.150 8.033) 8.240 7.544 ( 0.385 -11.761 -1.833) 11.909 9.166 ( -0.578 -10.752 -2.869) 11.143 15.410 ( -0.789 21.198 -0.223) 21.213 17.960 ( 0.230 -8.193 -3.708) 8.996 19.095 ( 0.630 20.518 -1.866) 20.612 20.114 ( -0.730 -22.090 -3.032) 22.309 ======================= Grid point 1651 (781/1062) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -4.036 0.000 11.573) 12.257 2.383 ( 30.740 -0.000 2.833) 30.870 2.743 ( 0.226 -0.000 -2.949) 2.957 4.099 ( 4.682 -0.000 -6.977) 8.403 4.188 ( 1.508 -0.000 12.360) 12.452 7.414 ( 2.629 -0.000 -4.196) 4.952 7.715 ( -5.664 0.000 -2.010) 6.010 9.591 ( 14.540 -0.000 1.119) 14.583 14.890 ( 0.734 -0.000 0.337) 0.807 18.148 ( -3.052 0.000 0.826) 3.162 18.410 ( 0.746 -0.000 -0.118) 0.755 20.534 ( -3.916 0.000 1.847) 4.329 ======================= Grid point 1652 (782/1062) ======================= q-point: ( 0.15 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 16.455 -4.116 -27.391) 32.218 2.664 ( -1.989 -38.567 13.093) 40.777 2.891 ( 10.694 -13.042 23.207) 28.688 4.056 ( 7.569 6.129 -0.217) 9.742 4.418 ( 3.284 -18.191 2.078) 18.601 7.361 ( -3.887 3.838 -7.838) 9.554 7.635 ( 0.748 3.367 1.128) 3.629 9.654 ( 15.847 7.080 2.396) 17.521 15.047 ( 0.298 -15.181 0.966) 15.215 18.035 ( -2.099 7.204 0.744) 7.540 18.632 ( -0.987 -19.464 -0.228) 19.490 20.378 ( -4.249 14.054 1.399) 14.749 ======================= Grid point 1653 (783/1062) ======================= q-point: ( 0.20 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 3.876 -2.897 -23.835) 24.321 3.226 ( 8.893 -11.215 20.067) 24.649 3.735 ( 0.539 -58.982 4.263) 59.138 4.083 ( 19.280 -0.085 4.194) 19.731 4.891 ( 1.925 -29.446 0.474) 29.513 7.164 ( -7.254 7.084 -6.106) 11.836 7.651 ( 5.535 -1.994 -2.500) 6.392 9.602 ( 15.880 13.436 2.949) 21.010 15.394 ( -0.750 -20.715 1.741) 20.801 17.889 ( -1.511 7.768 1.190) 8.002 18.996 ( -2.804 -20.256 -0.733) 20.462 19.992 ( -4.205 24.600 1.763) 25.019 ======================= Grid point 1654 (784/1062) ======================= q-point: ( 0.25 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -0.189 -3.996 -21.600) 21.967 3.519 ( 2.174 -12.258 8.038) 14.819 4.423 ( 27.382 -10.647 11.544) 31.565 4.853 ( 1.718 -57.664 3.976) 57.826 5.486 ( 0.583 -33.488 1.152) 33.513 6.997 ( -6.385 0.993 -5.661) 8.590 7.751 ( 5.681 -5.983 -5.385) 9.853 9.443 ( 15.296 18.664 3.097) 24.329 15.766 ( -1.320 -19.483 1.581) 19.592 17.746 ( -0.957 7.311 1.841) 7.600 19.211 ( -3.183 0.805 -8.425) 9.042 19.520 ( -4.598 17.447 9.947) 20.603 ======================= Grid point 1655 (785/1062) ======================= q-point: ( 0.30 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -2.140 -6.654 -18.022) 19.331 3.876 ( 2.206 -23.449 2.514) 23.686 4.905 ( 25.608 -10.875 15.707) 31.949 5.781 ( 3.427 -35.457 3.301) 35.775 6.119 ( 0.322 -35.000 0.368) 35.003 7.046 ( -5.742 -17.591 -5.416) 19.281 7.904 ( 4.500 -9.707 -6.656) 12.601 9.195 ( 14.429 22.655 3.464) 27.082 16.083 ( -1.384 -15.308 0.515) 15.379 17.635 ( -0.351 5.053 2.297) 5.562 18.737 ( -2.669 31.041 -5.648) 31.663 19.500 ( -4.642 -1.691 8.243) 9.610 ======================= Grid point 1656 (786/1062) ======================= q-point: ( 0.35 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -2.542 -9.675 -13.105) 16.486 4.440 ( 3.016 -34.671 1.396) 34.830 5.326 ( 21.759 -6.346 15.587) 27.508 6.178 ( 1.294 -8.013 2.424) 8.471 6.717 ( 2.294 -29.560 -3.171) 29.818 7.529 ( -3.740 -35.278 -3.167) 35.616 8.143 ( 2.676 -18.957 -5.244) 19.850 8.884 ( 13.240 24.899 4.222) 28.515 16.262 ( -1.676 -3.792 -2.301) 4.742 17.588 ( 0.172 1.173 2.750) 2.995 18.171 ( -1.466 24.103 -2.419) 24.269 19.470 ( -4.117 5.305 7.498) 10.066 ======================= Grid point 1657 (787/1062) ======================= q-point: ( 0.40 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -2.237 -12.206 -8.286) 14.922 5.166 ( 3.677 -39.288 1.733) 39.497 5.609 ( 17.254 -1.412 12.062) 21.100 6.258 ( -0.265 -1.994 0.939) 2.220 7.213 ( 4.093 -23.414 -2.209) 23.872 7.962 ( -2.546 -16.397 -4.835) 17.283 8.540 ( 11.066 22.850 3.394) 25.614 8.699 ( 1.227 -37.305 0.893) 37.336 16.091 ( -2.428 18.956 -6.340) 20.136 17.601 ( 0.453 -0.001 1.771) 1.828 17.930 ( 0.528 -0.005 1.640) 1.723 19.323 ( -3.562 11.175 8.007) 14.202 ======================= Grid point 1658 (788/1062) ======================= q-point: ( 0.45 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -1.692 -13.977 -4.180) 14.687 5.608 ( 8.858 2.358 2.554) 9.516 6.007 ( 8.478 -26.040 1.319) 27.417 6.341 ( -1.485 -12.340 6.176) 13.879 7.597 ( 7.000 -13.220 1.249) 15.011 8.144 ( -3.385 -9.222 -2.017) 10.028 8.225 ( 6.675 18.126 0.479) 19.322 9.427 ( 0.977 -37.500 1.671) 37.550 15.553 ( -2.501 31.349 -7.296) 32.284 17.620 ( 1.365 -1.946 -1.981) 3.094 18.102 ( 1.008 -12.691 4.249) 13.421 19.103 ( -3.135 13.582 8.863) 16.519 ======================= Grid point 1659 (789/1062) ======================= q-point: ( 0.50 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -0.845 -14.186 -0.573) 14.222 5.533 ( 6.100 10.334 -1.218) 12.062 6.198 ( 3.434 0.146 -1.769) 3.865 6.928 ( 2.035 -34.706 8.960) 35.902 7.710 ( 8.816 12.631 7.649) 17.198 8.097 ( 0.665 -5.582 -6.791) 8.816 8.251 ( -3.430 -5.945 0.389) 6.875 10.050 ( 1.009 -28.218 1.732) 28.289 14.930 ( -2.051 29.716 -5.955) 30.376 17.668 ( 1.819 -3.010 -4.454) 5.675 18.348 ( 0.642 -9.444 3.679) 10.155 18.901 ( -2.385 9.213 8.841) 12.990 ======================= Grid point 1660 (790/1062) ======================= q-point: ( 0.55 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( 0.705 -11.022 2.979) 11.439 5.358 ( 3.484 11.050 -2.189) 11.791 6.188 ( 1.850 1.775 -1.011) 2.756 7.407 ( -0.389 1.371 -1.738) 2.248 7.582 ( 3.745 -6.787 7.545) 10.818 8.199 ( -3.671 -3.555 -0.233) 5.115 8.349 ( 3.184 -6.863 0.291) 7.571 10.464 ( 0.880 -15.096 0.948) 15.151 14.444 ( -1.462 18.124 -2.998) 18.429 17.696 ( 1.074 -0.440 -3.553) 3.738 18.444 ( -0.109 -0.178 2.549) 2.557 18.859 ( -0.518 -1.584 4.725) 5.010 ======================= Grid point 1661 (791/1062) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( 3.264 -2.036 6.783) 7.798 5.200 ( 0.780 6.419 -0.887) 6.526 6.165 ( 0.844 1.259 -0.785) 1.707 7.188 ( -7.284 7.486 -10.686) 14.943 7.728 ( 1.323 4.193 -0.171) 4.400 8.169 ( -2.658 3.629 7.911) 9.101 8.522 ( 5.041 -5.813 0.814) 7.737 10.604 ( 0.581 0.710 -0.516) 1.053 14.268 ( -0.814 -1.087 1.408) 1.956 17.665 ( -0.337 3.005 0.899) 3.155 18.453 ( 0.219 -1.000 -0.689) 1.234 18.919 ( 0.864 -2.847 -1.497) 3.330 ======================= Grid point 1662 (792/1062) ======================= q-point: (-0.35 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.592 ( 5.918 10.524 10.873) 16.248 5.140 ( -2.247 -0.165 -0.371) 2.283 6.148 ( 0.264 0.951 -0.524) 1.117 6.975 ( -12.764 -0.053 -16.064) 20.518 7.436 ( -1.292 23.415 -7.355) 24.577 8.130 ( 1.092 6.119 12.560) 14.014 8.592 ( 3.685 2.830 1.173) 4.792 10.442 ( 0.176 16.428 -1.982) 16.548 14.484 ( -0.191 -20.153 5.970) 21.019 17.610 ( -0.830 3.409 3.986) 5.310 18.446 ( -0.300 2.595 -2.123) 3.366 18.976 ( 2.363 -5.905 -8.527) 10.638 ======================= Grid point 1663 (793/1062) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( 7.285 18.309 15.076) 24.810 5.117 ( -5.456 -0.150 -4.158) 6.861 6.104 ( 0.078 5.933 0.609) 5.965 6.768 ( -8.222 17.063 -11.950) 22.395 6.968 ( -7.407 5.084 -13.442) 16.167 8.066 ( 1.652 8.102 11.709) 14.335 8.495 ( 2.065 10.384 1.360) 10.675 10.009 ( -0.185 29.252 -2.620) 29.370 15.004 ( 0.178 -31.200 9.309) 32.560 17.574 ( -0.405 1.767 3.563) 3.997 18.302 ( -0.899 10.947 -2.822) 11.340 19.119 ( 3.236 -12.670 -12.785) 18.289 ======================= Grid point 1664 (794/1062) ======================= q-point: (-0.25 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 7.836 19.992 19.081) 28.726 4.979 ( -9.170 5.504 -11.560) 15.748 5.760 ( -0.734 34.155 -0.218) 34.164 6.378 ( -0.716 6.976 -9.220) 11.584 6.942 ( -10.173 -7.588 -7.106) 14.545 7.994 ( 0.634 4.300 6.678) 7.968 8.278 ( 0.572 14.804 2.327) 14.996 9.374 ( -0.353 38.164 -2.072) 38.222 15.644 ( 0.050 -31.557 11.089) 33.448 17.578 ( 0.308 -1.319 0.627) 1.493 18.050 ( -0.793 12.568 -3.624) 13.104 19.343 ( 3.217 -15.100 -13.542) 20.537 ======================= Grid point 1665 (795/1062) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 8.229 18.766 22.513) 30.442 4.656 ( -11.177 14.699 -15.215) 23.926 5.048 ( -0.963 37.483 -3.346) 37.645 6.296 ( 0.336 0.916 -7.795) 7.856 6.893 ( -4.451 7.620 2.043) 9.058 7.996 ( -2.120 11.456 4.375) 12.444 8.035 ( -0.292 -1.830 -0.524) 1.926 8.631 ( -0.208 40.323 -0.476) 40.327 16.163 ( -0.624 -17.103 10.162) 19.904 17.618 ( 0.791 -1.441 -3.963) 4.290 17.908 ( -0.254 -3.725 -0.487) 3.766 19.567 ( 2.896 -13.144 -13.434) 19.017 ======================= Grid point 1666 (796/1062) ======================= q-point: (-0.15 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 8.471 17.388 24.939) 31.560 4.139 ( -7.105 26.240 -6.151) 27.872 4.427 ( -4.956 24.592 -12.751) 28.141 6.199 ( 1.098 8.328 -9.871) 12.961 6.589 ( -1.004 24.700 4.984) 25.218 7.674 ( 1.387 25.244 0.768) 25.294 7.887 ( -3.643 22.512 9.507) 24.707 8.320 ( -0.612 -14.010 -5.138) 14.935 16.294 ( -1.124 4.948 5.681) 7.617 17.612 ( 0.593 -1.917 -4.718) 5.127 18.231 ( 0.268 -27.102 3.905) 27.384 19.719 ( 2.309 -7.731 -13.754) 15.946 ======================= Grid point 1667 (797/1062) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 8.323 17.904 25.991) 32.640 3.631 ( -3.753 21.388 -2.459) 21.853 3.917 ( -5.825 19.536 -12.958) 24.156 5.772 ( 2.560 37.563 -11.215) 39.285 6.075 ( -1.948 31.003 5.011) 31.466 7.274 ( 1.283 12.683 0.306) 12.751 7.646 ( -0.804 10.605 10.123) 14.683 8.614 ( 0.315 -18.306 -4.135) 18.770 16.103 ( -1.171 15.227 2.747) 15.518 17.672 ( 0.451 -6.198 -4.142) 7.468 18.816 ( -0.186 -31.435 7.722) 32.370 19.741 ( 1.296 -0.430 -15.175) 15.236 ======================= Grid point 1668 (798/1062) ======================= q-point: (-0.05 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 8.489 20.850 25.555) 34.056 3.248 ( -1.243 14.806 -17.627) 23.053 3.585 ( -3.622 9.489 8.433) 13.201 4.860 ( 1.596 54.974 -7.588) 55.518 5.481 ( -0.903 34.109 0.902) 34.132 7.235 ( 0.296 -5.046 -0.279) 5.062 7.539 ( 1.354 5.802 6.804) 9.043 8.923 ( 3.224 -15.516 -2.643) 16.067 15.783 ( -1.138 19.599 1.390) 19.681 17.792 ( 0.101 -8.236 -3.383) 8.905 19.301 ( -0.344 -6.787 9.564) 11.732 19.695 ( -0.638 -11.651 -14.998) 19.003 ======================= Grid point 1672 (799/1062) ======================= q-point: ( 0.15 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -2.945 0.000 9.756) 10.191 2.554 ( 10.764 -0.000 -26.301) 28.418 3.047 ( 16.690 -0.000 26.760) 31.538 4.109 ( 4.895 -0.000 -6.770) 8.354 4.360 ( 10.995 -0.000 5.857) 12.458 7.317 ( -5.701 0.000 -10.299) 11.771 7.684 ( 0.521 -0.000 3.119) 3.163 9.867 ( 17.182 -0.000 4.236) 17.697 14.910 ( 1.084 -0.000 0.851) 1.378 18.108 ( -3.626 0.000 1.828) 4.061 18.418 ( 0.979 -0.000 -1.016) 1.411 20.477 ( -5.081 0.000 0.868) 5.155 ======================= Grid point 1673 (800/1062) ======================= q-point: ( 0.20 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 5.460 -0.543 -22.776) 23.427 2.731 ( -1.350 -44.165 7.444) 44.808 3.316 ( 11.249 -3.211 19.562) 22.794 4.201 ( 11.309 -6.184 -2.067) 13.054 4.553 ( 13.884 -9.751 2.856) 17.204 7.173 ( -8.761 4.214 -9.332) 13.476 7.688 ( 4.055 1.731 0.611) 4.452 9.948 ( 16.897 8.107 5.009) 19.399 15.066 ( 0.469 -14.526 1.605) 14.622 18.012 ( -2.494 6.406 1.923) 7.138 18.613 ( -1.000 -17.769 -0.552) 17.806 20.312 ( -5.344 13.489 0.373) 14.514 ======================= Grid point 1674 (801/1062) ======================= q-point: ( 0.25 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 2.541 -0.596 -21.035) 21.196 3.456 ( 1.712 -2.800 12.780) 13.195 3.758 ( 1.701 -59.229 -0.601) 59.256 4.518 ( 21.694 -11.854 10.562) 26.884 4.971 ( 10.492 -23.603 1.091) 25.853 6.972 ( -8.763 4.836 -7.739) 12.652 7.709 ( 5.885 -0.959 -3.966) 7.161 9.887 ( 15.765 14.669 4.326) 21.964 15.401 ( -0.724 -19.858 2.055) 19.977 17.881 ( -1.700 7.170 2.601) 7.815 18.944 ( -3.058 -18.257 -0.568) 18.520 19.934 ( -5.245 22.762 1.381) 23.399 ======================= Grid point 1675 (802/1062) ======================= q-point: ( 0.30 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 0.841 -2.744 -17.549) 17.782 3.599 ( 1.458 -10.175 4.117) 11.073 4.828 ( 12.547 -44.157 -4.054) 46.084 5.053 ( 13.219 -28.134 21.016) 37.522 5.542 ( 7.585 -29.670 1.137) 30.645 6.823 ( -7.830 -0.605 -7.622) 10.944 7.779 ( 5.432 -4.624 -6.813) 9.864 9.709 ( 14.367 19.426 3.564) 24.423 15.760 ( -1.256 -18.907 1.380) 18.999 17.754 ( -1.026 6.830 3.166) 7.598 19.090 ( -2.907 5.578 -7.039) 9.440 19.529 ( -5.859 11.801 9.131) 16.030 ======================= Grid point 1676 (803/1062) ======================= q-point: ( 0.35 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 0.641 -6.447 -11.549) 13.242 3.931 ( 2.456 -23.432 1.712) 23.623 5.412 ( 22.167 -12.327 9.845) 27.207 5.885 ( 3.250 -32.975 6.938) 33.853 6.154 ( 5.080 -31.100 0.997) 31.528 6.887 ( -7.292 -21.223 -6.781) 23.443 7.901 ( 3.750 -8.743 -7.566) 12.155 9.444 ( 12.946 22.876 3.407) 26.505 16.065 ( -1.255 -14.425 -0.068) 14.480 17.656 ( -0.339 4.679 3.317) 5.746 18.643 ( -2.376 28.602 -5.713) 29.264 19.506 ( -5.319 -1.285 9.459) 10.928 ======================= Grid point 1677 (804/1062) ======================= q-point: ( 0.40 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 1.252 -9.264 -5.064) 10.632 4.502 ( 3.188 -35.267 1.735) 35.454 5.776 ( 19.332 -4.043 10.865) 22.542 6.197 ( -0.637 -4.923 -0.676) 5.010 6.746 ( 4.571 -29.006 -0.975) 29.381 7.444 ( -3.588 -37.294 -1.847) 37.512 8.129 ( 1.858 -20.140 -5.141) 20.868 9.116 ( 11.380 25.084 3.689) 27.791 16.211 ( -1.473 -1.286 -3.199) 3.749 17.619 ( 0.191 0.949 3.240) 3.381 18.130 ( -1.091 20.848 -2.018) 20.974 19.482 ( -4.327 4.894 8.842) 10.994 ======================= Grid point 1678 (805/1062) ======================= q-point: ( 0.45 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 1.985 -11.099 0.035) 11.275 5.238 ( 3.544 -39.019 1.536) 39.210 5.945 ( 13.452 2.736 5.940) 14.957 6.246 ( -0.545 -3.526 -0.608) 3.619 7.264 ( 4.018 -24.298 -0.766) 24.640 7.890 ( -1.611 -15.940 -2.394) 16.199 8.684 ( 3.302 -19.557 0.106) 19.834 8.770 ( 6.691 5.320 3.773) 9.344 15.994 ( -2.002 20.657 -6.902) 21.871 17.624 ( 0.428 1.124 1.462) 1.893 17.959 ( 0.763 -2.967 2.359) 3.866 19.348 ( -3.490 10.663 9.093) 14.442 ======================= Grid point 1679 (806/1062) ======================= q-point: ( 0.50 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 2.696 -12.527 3.760) 13.354 5.679 ( 2.937 -0.719 -6.063) 6.775 6.190 ( 11.837 -11.829 1.976) 16.850 6.370 ( -2.721 -21.260 7.284) 22.638 7.676 ( 2.406 -17.847 -0.142) 18.009 8.087 ( -0.412 -8.231 -1.575) 8.391 8.351 ( 6.165 23.707 3.289) 24.715 9.459 ( 0.844 -37.836 2.007) 37.899 15.448 ( -2.023 30.978 -7.506) 31.939 17.624 ( 1.290 -0.960 -1.626) 2.287 18.157 ( 1.017 -12.780 3.974) 13.422 19.143 ( -2.851 13.172 9.463) 16.468 ======================= Grid point 1680 (807/1062) ======================= q-point: ( 0.55 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( 3.586 -13.021 6.813) 15.127 5.551 ( 1.419 9.054 -7.684) 11.960 6.253 ( 4.673 3.060 -0.243) 5.591 7.047 ( 2.455 -34.223 8.803) 35.422 7.809 ( -0.674 14.160 0.126) 14.177 8.051 ( 0.445 -4.801 -5.052) 6.984 8.281 ( 3.593 -4.884 6.026) 8.548 10.083 ( 0.976 -27.957 1.983) 28.044 14.844 ( -1.713 28.304 -5.978) 28.980 17.655 ( 1.553 -2.195 -3.857) 4.702 18.392 ( 0.551 -8.555 3.635) 9.312 18.949 ( -1.901 9.297 8.416) 12.684 ======================= Grid point 1681 (808/1062) ======================= q-point: ( 0.60 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( 4.947 -10.788 9.695) 15.325 5.352 ( 0.441 9.215 -6.285) 11.163 6.216 ( 2.541 3.481 -0.201) 4.314 7.336 ( -3.377 15.712 -6.570) 17.362 7.666 ( 0.434 -12.190 4.137) 12.880 8.159 ( -2.634 -5.517 2.604) 6.645 8.448 ( 6.025 -6.342 3.753) 9.519 10.487 ( 0.920 -14.240 1.060) 14.309 14.395 ( -1.296 15.782 -2.869) 16.093 17.678 ( 0.839 -0.902 -3.412) 3.627 18.473 ( -0.123 0.971 4.039) 4.156 18.889 ( -0.247 -0.006 2.923) 2.933 ======================= Grid point 1682 (809/1062) ======================= q-point: (-0.35 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( 6.901 -2.954 12.439) 14.528 5.189 ( -0.286 5.820 -2.745) 6.442 6.173 ( 1.041 2.426 -0.581) 2.703 6.932 ( -9.714 13.699 -14.093) 21.924 7.709 ( -1.308 9.157 -2.864) 9.683 8.249 ( 0.805 -0.971 10.344) 10.420 8.611 ( 4.583 -4.240 1.570) 6.438 10.610 ( 0.646 1.892 -0.469) 2.054 14.269 ( -0.793 -3.991 1.491) 4.333 17.667 ( -0.164 1.394 0.341) 1.445 18.460 ( 0.099 1.083 1.700) 2.018 18.908 ( 0.747 -1.007 -3.457) 3.677 ======================= Grid point 1683 (810/1062) ======================= q-point: (-0.30 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.833 ( 8.790 9.381 15.113) 19.841 5.105 ( -1.615 2.970 -0.712) 3.454 6.143 ( -0.027 0.727 -1.366) 1.548 6.611 ( -13.080 2.499 -17.097) 21.672 7.347 ( -1.539 25.203 -6.600) 26.098 8.271 ( 2.126 5.485 11.401) 12.829 8.649 ( 2.605 3.855 0.463) 4.676 10.428 ( 0.284 17.396 -1.821) 17.494 14.535 ( -0.339 -22.662 5.682) 23.366 17.636 ( -0.346 2.601 3.587) 4.444 18.428 ( -0.330 4.177 -0.579) 4.230 18.923 ( 1.719 -4.454 -9.371) 10.517 ======================= Grid point 1684 (811/1062) ======================= q-point: (-0.25 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( 9.984 17.623 18.501) 27.433 4.981 ( -5.675 6.797 -6.827) 11.181 6.115 ( 0.682 4.695 0.415) 4.762 6.484 ( -11.060 -2.564 -12.499) 16.885 6.798 ( -1.917 22.189 -9.656) 24.275 8.198 ( 2.091 9.378 9.874) 13.778 8.526 ( 1.085 10.759 0.098) 10.814 9.984 ( 0.035 29.622 -2.307) 29.712 15.088 ( -0.221 -32.822 8.559) 33.920 17.605 ( 0.116 2.409 3.412) 4.178 18.264 ( -0.712 11.993 -2.516) 12.275 19.044 ( 2.087 -12.347 -11.862) 17.249 ======================= Grid point 1685 (812/1062) ======================= q-point: (-0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( 10.735 19.830 21.904) 31.436 4.703 ( -10.011 10.558 -15.711) 21.413 5.756 ( 0.373 36.565 -0.198) 36.568 6.285 ( -1.108 3.161 -7.223) 7.962 6.756 ( -5.431 -13.329 -5.284) 15.332 8.074 ( 1.568 8.867 5.843) 10.735 8.299 ( 0.303 14.253 0.824) 14.280 9.353 ( -0.009 37.825 -1.752) 37.866 15.740 ( -0.609 -32.043 10.027) 33.581 17.589 ( 0.645 0.328 0.242) 0.763 18.007 ( -0.530 12.192 -3.260) 12.631 19.264 ( 1.761 -15.116 -11.481) 19.064 ======================= Grid point 1686 (813/1062) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 10.978 19.014 23.945) 32.487 4.315 ( -10.671 13.499 -20.022) 26.400 5.026 ( 0.204 39.983 -0.888) 39.994 6.233 ( 0.113 1.006 -6.013) 6.097 6.864 ( -0.850 2.008 1.531) 2.664 7.995 ( -1.766 4.722 3.116) 5.927 8.058 ( 2.551 8.993 -0.334) 9.354 8.627 ( 0.291 39.278 -0.539) 39.283 16.239 ( -1.294 -15.456 8.979) 17.921 17.591 ( 0.805 0.341 -4.358) 4.445 17.904 ( -0.130 -6.623 0.098) 6.625 19.485 ( 1.189 -12.861 -10.610) 16.715 ======================= Grid point 1687 (814/1062) ======================= q-point: (-0.10 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 10.236 17.781 23.728) 31.368 3.877 ( -6.724 16.238 -19.924) 26.568 4.350 ( -0.677 32.906 0.687) 32.920 6.133 ( 1.003 9.292 -7.413) 11.929 6.625 ( 0.615 24.332 3.353) 24.569 7.692 ( 0.940 26.548 -0.745) 26.575 7.934 ( -1.492 17.805 9.265) 20.126 8.297 ( 3.837 -12.224 -5.473) 13.932 16.324 ( -1.438 6.724 4.767) 8.366 17.580 ( 0.500 -2.087 -3.716) 4.291 18.264 ( -0.297 -28.904 2.875) 29.048 19.627 ( 0.365 -6.726 -10.031) 12.083 ======================= Grid point 1688 (815/1062) ======================= q-point: (-0.05 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 7.348 17.226 20.569) 27.817 3.450 ( 1.242 18.004 -19.886) 26.854 3.863 ( -0.750 20.247 6.622) 21.316 5.718 ( 2.858 36.396 -8.975) 37.595 6.092 ( -1.653 33.139 4.523) 33.487 7.277 ( -0.515 12.697 -0.859) 12.737 7.734 ( 2.162 10.239 6.187) 12.157 8.630 ( 5.941 -18.815 -2.728) 19.918 16.108 ( -1.337 15.849 2.367) 16.080 17.645 ( 0.160 -6.044 -2.652) 6.602 18.869 ( -1.127 -33.811 5.362) 34.252 19.624 ( -0.721 2.032 -10.088) 10.316 ======================= Grid point 1693 (816/1062) ======================= q-point: ( 0.20 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -2.247 0.000 8.149) 8.453 2.445 ( 5.234 -0.000 -21.646) 22.269 3.479 ( 8.305 -0.000 20.400) 22.026 4.123 ( 5.021 -0.000 -6.575) 8.273 4.686 ( 26.013 -0.000 3.396) 26.233 7.091 ( -9.678 0.000 -10.607) 14.359 7.747 ( 3.355 -0.000 2.511) 4.190 10.186 ( 16.214 -0.000 7.236) 17.756 14.939 ( 1.305 -0.000 1.330) 1.864 18.071 ( -3.708 0.000 2.528) 4.488 18.421 ( 1.115 -0.000 -1.840) 2.152 20.391 ( -6.102 0.000 -0.752) 6.148 ======================= Grid point 1694 (817/1062) ======================= q-point: ( 0.25 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 3.939 0.669 -19.262) 19.671 2.774 ( -1.051 -44.725 5.771) 45.108 3.561 ( 2.142 3.891 12.305) 13.082 4.313 ( 5.412 -17.827 -1.707) 18.708 4.954 ( 31.046 -3.644 4.836) 31.631 6.935 ( -9.902 3.119 -9.663) 14.183 7.760 ( 4.801 2.182 -0.213) 5.278 10.254 ( 14.642 9.227 6.879) 18.624 15.091 ( 0.536 -13.738 2.000) 13.893 17.995 ( -2.561 5.371 2.866) 6.605 18.590 ( -0.878 -16.169 -1.028) 16.225 20.218 ( -6.190 12.639 -1.272) 14.131 ======================= Grid point 1695 (818/1062) ======================= q-point: ( 0.30 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 3.478 0.425 -16.265) 16.638 3.551 ( 0.838 0.670 4.825) 4.943 3.791 ( 0.406 -60.548 3.909) 60.675 4.773 ( 4.118 -26.260 3.771) 26.847 5.355 ( 30.722 -10.484 7.080) 33.225 6.755 ( -8.955 3.288 -8.626) 12.861 7.761 ( 5.754 0.596 -4.236) 7.170 10.157 ( 13.002 15.700 4.692) 20.917 15.409 ( -0.695 -18.844 2.037) 18.967 17.884 ( -1.682 6.476 3.629) 7.611 18.893 ( -2.900 -16.426 -0.358) 16.684 19.853 ( -6.015 20.482 0.083) 21.347 ======================= Grid point 1696 (819/1062) ======================= q-point: ( 0.35 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 3.864 -2.797 -10.460) 11.497 3.653 ( 1.451 -9.998 2.793) 10.482 4.917 ( 4.312 -56.747 -0.310) 56.912 5.332 ( 2.646 -28.890 8.136) 30.130 5.860 ( 26.042 -16.073 8.685) 31.812 6.615 ( -8.670 -0.865 -8.894) 12.451 7.796 ( 4.863 -2.769 -6.598) 8.652 9.943 ( 11.403 19.753 3.048) 23.011 15.753 ( -1.134 -18.251 1.045) 18.316 17.773 ( -0.957 6.352 3.982) 7.558 18.990 ( -2.325 8.637 -5.463) 10.480 19.508 ( -6.606 7.196 7.363) 12.233 ======================= Grid point 1697 (820/1062) ======================= q-point: ( 0.40 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 4.757 -6.804 -2.636) 8.711 3.986 ( 2.361 -23.896 1.990) 24.094 5.728 ( 11.835 -23.498 1.827) 26.374 5.960 ( 0.262 -28.643 1.594) 28.689 6.369 ( 14.626 -14.049 9.058) 22.212 6.708 ( -5.995 -29.535 -6.015) 30.732 7.884 ( 2.905 -7.563 -6.720) 10.526 9.651 ( 9.858 22.641 2.449) 24.816 16.044 ( -1.070 -13.419 -0.531) 13.472 17.686 ( -0.229 4.380 3.775) 5.787 18.560 ( -1.882 26.712 -4.867) 27.217 19.510 ( -5.447 -2.058 9.079) 10.786 ======================= Grid point 1698 (821/1062) ======================= q-point: ( 0.45 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 5.510 -8.714 3.989) 11.054 4.571 ( 3.064 -35.953 2.357) 36.160 6.101 ( 8.352 0.582 0.457) 8.385 6.140 ( 2.089 -8.944 -2.260) 9.459 6.834 ( 5.169 -25.009 1.231) 25.568 7.415 ( 0.560 -37.816 3.054) 37.943 8.108 ( 1.065 -21.341 -4.066) 21.752 9.298 ( 8.198 24.877 2.401) 26.303 16.158 ( -1.192 1.160 -3.554) 3.924 17.653 ( 0.273 1.104 3.080) 3.283 18.101 ( -0.661 17.525 -1.213) 17.579 19.500 ( -4.081 4.092 8.961) 10.663 ======================= Grid point 1699 (822/1062) ======================= q-point: ( 0.50 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 6.029 -9.783 8.167) 14.098 5.303 ( 3.436 -36.616 0.629) 36.782 6.034 ( -2.585 -1.472 -5.217) 6.005 6.323 ( 9.543 -1.232 2.352) 9.905 7.304 ( 0.994 -23.043 -0.445) 23.069 7.897 ( 3.122 -14.583 2.560) 15.131 8.708 ( 0.424 -36.322 0.598) 36.329 8.907 ( 5.916 21.066 2.359) 22.008 15.902 ( -1.515 22.167 -6.633) 23.187 17.642 ( 0.465 1.915 1.055) 2.235 17.996 ( 0.858 -5.144 2.682) 5.864 19.383 ( -3.034 10.027 9.090) 13.870 ======================= Grid point 1700 (823/1062) ======================= q-point: ( 0.55 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 6.550 -11.095 10.826) 16.829 5.606 ( -1.074 0.960 -12.026) 12.112 6.366 ( 5.656 2.997 1.296) 6.531 6.409 ( 2.013 -37.757 6.392) 38.347 7.671 ( -2.447 -17.378 -0.197) 17.551 8.120 ( 4.870 -3.897 0.692) 6.276 8.460 ( 3.559 22.235 3.321) 22.762 9.491 ( 0.702 -38.236 2.174) 38.304 15.352 ( -1.530 30.814 -6.950) 31.625 17.629 ( 1.113 -0.102 -1.211) 1.648 18.207 ( 0.906 -12.693 3.409) 13.174 19.191 ( -2.210 12.798 9.004) 15.803 ======================= Grid point 1701 (824/1062) ======================= q-point: ( 0.60 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( 7.286 -11.986 12.937) 19.082 5.439 ( -3.058 6.349 -12.947) 14.740 6.327 ( 4.327 5.207 0.360) 6.779 7.162 ( 2.231 -34.262 7.483) 35.141 7.751 ( -3.819 16.927 -1.871) 17.453 8.013 ( -0.561 -3.278 -2.957) 4.450 8.426 ( 5.871 -4.293 6.525) 9.771 10.116 ( 0.892 -27.769 1.999) 27.855 14.767 ( -1.368 27.166 -5.386) 27.728 17.643 ( 1.127 -1.278 -3.068) 3.510 18.433 ( 0.395 -8.263 3.356) 8.928 18.999 ( -1.155 9.892 7.172) 12.272 ======================= Grid point 1702 (825/1062) ======================= q-point: (-0.35 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.753 ( 8.322 -10.395 14.807) 19.914 5.249 ( -3.451 4.864 -10.779) 12.319 6.260 ( 2.724 5.111 0.536) 5.817 7.200 ( -4.858 26.552 -7.591) 28.039 7.687 ( -1.164 -11.584 2.283) 11.864 8.165 ( -0.808 -10.972 4.041) 11.720 8.578 ( 5.488 -4.188 3.967) 7.962 10.511 ( 0.863 -13.455 0.958) 13.517 14.351 ( -1.114 13.711 -2.385) 13.962 17.658 ( 0.495 -1.161 -2.945) 3.204 18.514 ( -0.117 1.152 4.881) 5.016 18.907 ( 0.123 2.273 1.063) 2.513 ======================= Grid point 1703 (826/1062) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.026 ( 9.171 -3.024 15.592) 18.340 5.132 ( -2.312 0.948 -5.333) 5.890 6.188 ( 1.289 4.968 -0.082) 5.133 6.648 ( -9.510 19.946 -13.312) 25.798 7.655 ( -1.888 11.501 -2.525) 11.925 8.361 ( 1.437 -4.009 8.848) 9.820 8.686 ( 3.419 -1.827 0.841) 3.966 10.615 ( 0.622 2.928 -0.508) 3.036 14.271 ( -0.780 -6.535 1.524) 6.755 17.666 ( -0.027 -0.333 -0.178) 0.378 18.487 ( -0.026 3.010 3.878) 4.909 18.878 ( 0.667 0.970 -5.130) 5.263 ======================= Grid point 1704 (827/1062) ======================= q-point: (-0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.123 ( 9.132 7.788 15.190) 19.360 5.077 ( -1.252 5.931 -0.477) 6.081 6.092 ( -3.549 0.455 -7.283) 8.114 6.304 ( -7.119 3.508 -9.438) 12.331 7.271 ( -1.138 26.330 -4.859) 26.799 8.399 ( 1.751 5.100 9.194) 10.658 8.678 ( 1.456 4.907 -1.068) 5.229 10.417 ( 0.369 18.152 -1.589) 18.225 14.578 ( -0.575 -24.763 4.886) 25.246 17.665 ( 0.149 1.408 2.700) 3.049 18.425 ( -0.390 6.337 1.163) 6.455 18.857 ( 1.064 -3.337 -9.311) 9.948 ======================= Grid point 1705 (828/1062) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.064 ( 10.185 14.433 17.788) 25.069 4.804 ( -7.168 16.208 -9.539) 20.126 6.133 ( 1.666 -1.160 -0.653) 2.133 6.249 ( -5.920 -6.510 -6.954) 11.215 6.704 ( -0.506 26.550 -6.635) 27.371 8.309 ( 1.402 10.117 7.502) 12.672 8.531 ( 0.500 10.735 -1.580) 10.862 9.967 ( 0.291 29.849 -1.824) 29.906 15.153 ( -0.774 -34.169 6.865) 34.860 17.640 ( 0.622 2.928 2.648) 3.996 18.234 ( -0.487 13.251 -1.841) 13.387 18.966 ( 0.874 -12.169 -9.546) 15.491 ======================= Grid point 1706 (829/1062) ======================= q-point: (-0.15 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.942 ( 11.970 18.593 22.261) 31.378 4.374 ( -11.133 13.949 -19.003) 26.070 5.766 ( 1.287 38.815 -0.478) 38.839 6.216 ( -0.727 0.228 -4.149) 4.218 6.690 ( 1.431 -16.616 -1.956) 16.791 8.137 ( 0.391 11.457 3.516) 11.991 8.310 ( 1.127 12.870 -0.473) 12.928 9.341 ( 0.363 37.547 -1.243) 37.569 15.808 ( -1.402 -32.598 7.568) 33.495 17.601 ( 0.921 2.274 -0.385) 2.483 17.975 ( -0.227 11.642 -2.194) 11.849 19.187 ( 0.316 -15.032 -8.148) 17.102 ======================= Grid point 1707 (830/1062) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( 3.940 19.934 10.938) 23.076 4.010 ( -1.123 11.453 -9.477) 14.908 5.030 ( 0.871 40.105 -0.196) 40.115 6.192 ( 0.377 1.304 -3.454) 3.711 6.903 ( 3.841 0.915 1.579) 4.253 8.004 ( -0.250 3.997 2.309) 4.623 8.095 ( 3.163 9.858 -1.559) 10.470 8.630 ( 0.785 38.351 -0.515) 38.362 16.286 ( -1.952 -14.560 6.290) 15.980 17.565 ( 0.813 1.410 -3.538) 3.894 17.904 ( -0.110 -8.028 0.245) 8.032 19.410 ( -0.386 -12.458 -6.613) 14.110 ======================= Grid point 1708 (831/1062) ======================= q-point: (-0.05 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( -6.152 14.302 -12.147) 19.747 3.827 ( 13.730 17.171 11.714) 24.911 4.369 ( 0.782 32.169 2.701) 32.292 6.096 ( 1.276 10.011 -4.101) 10.893 6.668 ( 1.804 25.652 1.548) 25.761 7.688 ( 0.086 28.552 -1.685) 28.602 8.013 ( 1.454 15.959 7.052) 17.508 8.334 ( 7.215 -14.732 -4.635) 17.046 16.337 ( -1.663 7.611 3.157) 8.406 17.559 ( 0.402 -2.173 -2.111) 3.056 18.273 ( -0.941 -29.631 1.107) 29.666 19.548 ( -1.279 -5.847 -5.022) 7.813 ======================= Grid point 1714 (832/1062) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 4.821 -0.000 -16.937) 17.610 2.339 ( -1.975 0.000 6.893) 7.171 3.692 ( -0.414 0.000 14.179) 14.185 4.141 ( 5.046 -0.000 -6.418) 8.164 5.203 ( 34.028 -0.000 3.737) 34.233 6.840 ( -9.646 0.000 -9.752) 13.716 7.825 ( 4.100 -0.000 1.489) 4.362 10.487 ( 12.099 -0.000 9.022) 15.093 14.974 ( 1.375 -0.000 1.734) 2.212 18.042 ( -3.330 0.000 2.999) 4.482 18.418 ( 1.146 -0.000 -2.514) 2.763 20.274 ( -6.670 0.000 -2.737) 7.210 ======================= Grid point 1715 (833/1062) ======================= q-point: ( 0.30 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 5.543 1.178 -13.537) 14.675 2.808 ( -0.929 -44.754 4.738) 45.014 3.657 ( -1.399 6.239 8.447) 10.594 4.360 ( 3.375 -19.975 -2.073) 20.364 5.517 ( 33.299 -3.908 4.034) 33.769 6.703 ( -8.103 2.480 -8.110) 11.729 7.832 ( 4.966 2.891 -0.658) 5.784 10.516 ( 9.945 10.110 7.361) 15.978 15.119 ( 0.517 -12.783 2.150) 12.973 17.987 ( -2.321 4.307 3.520) 6.027 18.567 ( -0.670 -14.833 -1.439) 14.918 20.098 ( -6.488 11.698 -3.174) 13.748 ======================= Grid point 1716 (834/1062) ======================= q-point: ( 0.35 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 6.853 0.420 -8.782) 11.147 3.594 ( 1.093 -0.769 1.752) 2.204 3.834 ( -1.355 -59.554 6.342) 59.906 4.828 ( 1.633 -28.343 0.880) 28.404 5.898 ( 28.317 -9.166 3.462) 29.965 6.561 ( -5.011 3.655 -5.140) 8.056 7.810 ( 5.328 2.284 -3.680) 6.866 10.368 ( 8.586 16.241 4.035) 18.809 15.417 ( -0.640 -17.784 1.783) 17.885 17.896 ( -1.491 5.802 4.153) 7.289 18.849 ( -2.422 -15.177 0.060) 15.369 19.749 ( -6.218 18.258 -1.721) 19.365 ======================= Grid point 1717 (835/1062) ======================= q-point: ( 0.40 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 8.154 -3.619 -1.475) 9.042 3.699 ( 0.821 -10.463 3.214) 10.977 4.973 ( 2.408 -59.207 1.045) 59.265 5.395 ( 0.730 -31.099 2.722) 31.227 6.278 ( 6.746 -13.980 -7.462) 17.223 6.488 ( 11.392 2.600 7.104) 13.675 7.809 ( 3.982 -0.791 -5.204) 6.600 10.114 ( 7.371 19.601 1.879) 21.025 15.745 ( -0.961 -17.607 0.666) 17.646 17.798 ( -0.767 5.908 4.207) 7.294 18.916 ( -1.577 11.182 -3.892) 11.944 19.464 ( -6.619 2.579 5.232) 8.823 ======================= Grid point 1718 (836/1062) ======================= q-point: ( 0.45 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 8.824 -7.132 6.390) 13.022 4.041 ( 1.647 -24.662 2.836) 24.879 5.855 ( 4.744 -28.310 -3.042) 28.865 5.953 ( 1.494 -22.901 -2.440) 23.079 6.431 ( -8.318 -22.431 -3.638) 24.198 6.852 ( 18.639 -19.666 10.023) 28.890 7.869 ( 2.079 -6.459 -4.514) 8.149 9.792 ( 6.097 22.094 1.093) 22.946 16.022 ( -0.834 -12.426 -0.848) 12.482 17.719 ( -0.032 4.181 3.670) 5.563 18.494 ( -1.348 25.276 -3.709) 25.583 19.508 ( -4.913 -3.644 7.883) 9.978 ======================= Grid point 1719 (837/1062) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 8.798 -7.895 11.629) 16.582 4.640 ( 2.619 -36.795 3.028) 37.012 5.952 ( -6.261 -0.003 -12.778) 14.230 6.330 ( 9.609 -11.279 2.276) 14.991 6.879 ( 0.096 -23.539 -1.092) 23.565 7.542 ( 7.644 -33.359 9.041) 35.397 8.089 ( 0.516 -21.553 -2.463) 21.700 9.413 ( 4.619 24.509 0.928) 24.957 16.109 ( -0.850 3.302 -3.487) 4.877 17.684 ( 0.402 1.634 2.455) 2.976 18.086 ( -0.322 14.392 -0.343) 14.400 19.523 ( -3.333 3.049 8.199) 9.361 ======================= Grid point 1720 (838/1062) ======================= q-point: ( 0.55 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 8.670 -8.596 14.156) 18.693 5.350 ( 3.193 -29.679 -2.225) 29.933 5.877 ( -8.179 -11.199 -7.237) 15.643 6.491 ( 9.388 1.302 0.093) 9.479 7.280 ( -2.861 -22.235 -0.718) 22.430 8.030 ( 7.624 -12.170 6.380) 15.714 8.716 ( -0.432 -38.924 1.341) 38.949 8.989 ( 2.812 22.249 0.602) 22.434 15.824 ( -1.029 23.440 -5.812) 24.172 17.658 ( 0.506 2.361 0.700) 2.514 18.034 ( 0.776 -6.507 2.560) 7.035 19.424 ( -2.171 9.363 8.201) 12.635 ======================= Grid point 1721 (839/1062) ======================= q-point: ( 0.60 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.343 ( 8.839 -10.205 15.510) 20.563 5.430 ( -4.474 3.651 -15.829) 16.849 6.404 ( -2.608 -20.241 6.655) 21.466 6.530 ( 7.495 -17.812 -1.299) 19.369 7.621 ( -3.546 -17.126 0.595) 17.500 8.230 ( 6.808 5.021 2.038) 8.701 8.519 ( 0.531 16.303 2.466) 16.497 9.520 ( 0.512 -38.664 2.091) 38.724 15.271 ( -1.082 30.820 -5.827) 31.385 17.635 ( 0.823 0.667 -0.843) 1.353 18.248 ( 0.670 -12.541 2.691) 12.844 19.242 ( -1.226 12.514 7.685) 14.737 ======================= Grid point 1722 (840/1062) ======================= q-point: ( 0.65 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.690 ( 9.402 -11.628 16.672) 22.395 5.224 ( -6.605 4.521 -16.211) 18.079 6.385 ( 2.664 5.660 0.220) 6.259 7.248 ( 0.852 -34.792 5.357) 35.212 7.688 ( -2.198 22.565 -0.887) 22.689 7.977 ( -1.622 -3.302 -1.024) 3.818 8.561 ( 4.633 -4.808 4.372) 7.981 10.146 ( 0.712 -27.634 1.712) 27.696 14.702 ( -1.047 26.319 -4.277) 26.685 17.632 ( 0.572 -0.391 -2.234) 2.339 18.466 ( 0.194 -8.438 2.823) 8.900 19.047 ( -0.193 10.853 5.412) 12.129 ======================= Grid point 1723 (841/1062) ======================= q-point: (-0.30 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.053 ( 10.144 -9.996 17.671) 22.696 5.045 ( -7.176 0.232 -14.735) 16.392 6.304 ( 1.916 5.257 0.668) 5.635 7.063 ( -4.319 34.238 -5.427) 34.934 7.682 ( -1.614 -8.288 1.698) 8.612 8.198 ( -0.072 -15.865 3.812) 16.317 8.681 ( 3.746 -2.650 2.253) 5.112 10.531 ( 0.690 -12.801 0.616) 12.834 14.317 ( -0.928 12.053 -1.589) 12.193 17.638 ( 0.065 -1.330 -2.229) 2.596 18.558 ( -0.130 0.340 4.889) 4.902 18.915 ( 0.627 5.183 -0.521) 5.247 ======================= Grid point 1724 (842/1062) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( 8.336 -0.567 14.450) 16.692 5.017 ( -4.081 -8.483 -7.820) 12.239 6.215 ( 1.793 9.456 1.267) 9.707 6.408 ( -7.097 23.924 -9.295) 26.629 7.611 ( -1.364 12.748 -1.135) 12.871 8.448 ( 0.568 -6.308 6.140) 8.822 8.730 ( 2.053 0.499 -0.635) 2.206 10.619 ( 0.519 3.689 -0.615) 3.775 14.273 ( -0.782 -8.455 1.491) 8.621 17.663 ( 0.017 -1.935 -0.448) 1.986 18.530 ( -0.131 4.415 5.366) 6.950 18.835 ( 0.682 2.996 -6.242) 6.957 ======================= Grid point 1725 (843/1062) ======================= q-point: (-0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.349 ( 4.147 5.568 7.526) 10.239 5.057 ( -1.096 9.480 0.294) 9.548 5.933 ( -2.769 0.569 -7.170) 7.707 6.225 ( -0.120 1.854 -0.969) 2.096 7.224 ( -0.383 27.194 -2.571) 27.318 8.490 ( 0.304 4.447 6.391) 7.792 8.676 ( 0.676 5.771 -2.757) 6.432 10.410 ( 0.438 18.580 -1.279) 18.630 14.607 ( -0.874 -26.166 3.637) 26.432 17.690 ( 0.577 0.075 1.475) 1.586 18.437 ( -0.413 8.820 2.461) 9.167 18.786 ( 0.454 -2.776 -7.936) 8.420 ======================= Grid point 1726 (844/1062) ======================= q-point: (-0.15 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.292 ( 1.095 5.489 1.142) 5.713 4.641 ( -2.062 27.364 0.685) 27.450 6.132 ( 0.902 -11.946 -2.560) 12.250 6.216 ( 3.946 0.444 2.156) 4.519 6.658 ( 0.611 27.034 -3.205) 27.230 8.372 ( -0.584 10.872 3.961) 11.586 8.519 ( 0.783 9.840 -2.467) 10.174 9.960 ( 0.552 29.882 -1.202) 29.911 15.190 ( -1.391 -34.956 4.373) 35.256 17.671 ( 1.079 3.292 1.144) 3.648 18.216 ( -0.227 14.366 -0.704) 14.385 18.897 ( -0.278 -12.059 -5.999) 13.472 ======================= Grid point 1727 (845/1062) ======================= q-point: (-0.10 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( -11.567 16.420 -20.311) 28.565 4.333 ( 12.201 14.648 20.476) 27.977 5.785 ( 1.944 40.222 -0.906) 40.279 6.189 ( 0.252 -0.211 -0.699) 0.773 6.763 ( 7.919 -18.157 1.575) 19.872 8.147 ( -1.129 12.181 0.376) 12.239 8.327 ( 1.847 11.408 -1.203) 11.619 9.341 ( 0.710 37.341 -0.609) 37.353 15.834 ( -2.174 -32.971 3.946) 33.278 17.610 ( 1.126 3.915 -1.107) 4.222 17.961 ( 0.097 11.195 -0.450) 11.204 19.124 ( -0.963 -14.866 -4.014) 15.429 ======================= Grid point 1728 (846/1062) ======================= q-point: (-0.05 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( -9.803 15.594 -20.106) 27.267 4.297 ( 15.130 12.881 19.886) 28.112 5.049 ( 1.583 39.849 0.228) 39.881 6.182 ( 0.958 1.667 -0.820) 2.090 7.001 ( 6.515 4.805 1.045) 8.163 8.039 ( 2.589 1.308 1.726) 3.375 8.121 ( 2.557 8.304 -2.651) 9.084 8.641 ( 1.184 37.716 -0.449) 37.737 16.293 ( -2.469 -14.644 2.436) 15.049 17.553 ( 0.784 1.860 -1.679) 2.625 17.905 ( -0.098 -7.777 0.194) 7.780 19.352 ( -1.686 -12.087 -2.079) 12.380 ======================= Grid point 1735 (847/1062) ======================= q-point: ( 0.30 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 7.531 -0.000 -9.974) 12.498 2.368 ( -2.129 0.000 6.072) 6.435 3.769 ( -3.942 0.000 10.785) 11.483 4.159 ( 4.966 -0.000 -6.309) 8.029 5.738 ( 29.636 -0.000 -0.669) 29.644 6.645 ( -4.324 0.000 -4.817) 6.473 7.901 ( 4.459 -0.000 0.738) 4.520 10.716 ( 6.195 -0.000 8.843) 10.797 15.013 ( 1.283 -0.000 2.022) 2.395 18.025 ( -2.627 0.000 3.358) 4.263 18.410 ( 1.076 -0.000 -2.973) 3.162 20.136 ( -6.544 0.000 -4.577) 7.985 ======================= Grid point 1736 (848/1062) ======================= q-point: ( 0.35 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 9.225 1.194 -5.811) 10.968 2.834 ( -1.192 -44.854 4.393) 45.084 3.693 ( -3.255 6.314 7.412) 10.266 4.387 ( 2.912 -20.437 -2.608) 20.807 5.955 ( 19.221 -4.216 -6.956) 20.871 6.610 ( 4.700 2.369 2.259) 5.727 7.902 ( 4.884 3.608 -0.616) 6.103 10.692 ( 4.291 10.381 6.252) 12.856 15.146 ( 0.432 -11.709 2.114) 11.906 17.989 ( -1.855 3.452 3.846) 5.491 18.544 ( -0.423 -13.970 -1.600) 14.068 19.961 ( -6.081 10.882 -4.811) 13.361 ======================= Grid point 1737 (849/1062) ======================= q-point: ( 0.40 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 10.834 -0.248 -0.612) 10.854 3.624 ( -0.054 -1.560 3.130) 3.498 3.863 ( -2.257 -60.055 5.889) 60.386 4.855 ( 1.642 -28.763 -0.364) 28.812 6.085 ( 1.722 -5.673 -14.154) 15.345 6.693 ( 18.773 1.280 10.447) 21.522 7.857 ( 4.450 3.980 -2.551) 6.492 10.495 ( 3.809 16.089 2.593) 16.736 15.423 ( -0.556 -16.767 1.440) 16.838 17.915 ( -1.162 5.248 4.118) 6.772 18.821 ( -1.709 -14.730 0.791) 14.850 19.631 ( -5.737 16.495 -3.513) 17.814 ======================= Grid point 1738 (850/1062) ======================= q-point: ( 0.45 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 11.553 -4.780 6.332) 14.014 3.737 ( -0.685 -11.071 4.659) 12.031 5.012 ( 1.215 -60.478 1.224) 60.503 5.427 ( 1.424 -31.649 0.814) 31.691 6.077 ( -8.116 -5.262 -14.312) 17.274 6.926 ( 22.425 -2.505 10.867) 25.045 7.822 ( 2.616 0.813 -3.064) 4.110 10.207 ( 3.361 19.015 0.481) 19.316 15.736 ( -0.748 -17.033 0.339) 17.053 17.826 ( -0.468 5.513 3.861) 6.746 18.868 ( -0.800 13.853 -2.378) 14.078 19.405 ( -5.803 -2.376 3.174) 7.029 ======================= Grid point 1739 (851/1062) ======================= q-point: ( 0.50 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 11.076 -7.296 12.748) 18.397 4.088 ( 0.271 -25.755 3.856) 26.043 5.787 ( -2.045 -11.404 -12.957) 17.381 6.004 ( 4.324 -28.737 0.377) 29.063 6.273 ( -7.722 -39.357 -0.859) 40.116 7.221 ( 15.957 -10.406 7.970) 20.650 7.870 ( 1.730 -6.155 -1.036) 6.477 9.863 ( 2.608 21.404 -0.167) 21.563 16.003 ( -0.549 -11.544 -1.002) 11.600 17.752 ( 0.233 4.090 3.084) 5.128 18.448 ( -0.897 24.213 -2.532) 24.362 19.507 ( -3.681 -5.560 6.341) 9.202 ======================= Grid point 1740 (852/1062) ======================= q-point: ( 0.55 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 9.882 -7.113 15.890) 20.018 4.707 ( 1.886 -38.127 3.729) 38.355 5.702 ( -8.288 1.126 -15.743) 17.827 6.476 ( 7.330 -14.570 1.321) 16.363 6.837 ( -2.834 -23.034 -2.148) 23.307 7.761 ( 7.656 -32.091 8.681) 34.114 8.086 ( 1.067 -18.435 -0.059) 18.466 9.463 ( 1.488 24.226 -0.229) 24.272 16.068 ( -0.460 5.031 -3.099) 5.927 17.711 ( 0.555 2.377 1.599) 2.918 18.083 ( -0.165 11.719 0.330) 11.725 19.551 ( -2.073 2.007 6.836) 7.420 ======================= Grid point 1741 (853/1062) ======================= q-point: ( 0.60 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 9.026 -8.067 16.537) 20.495 5.335 ( 0.729 -9.949 -9.810) 13.991 5.692 ( -8.406 -31.714 -1.316) 32.835 6.608 ( 6.706 3.159 -1.795) 7.627 7.222 ( -3.644 -23.116 0.055) 23.401 8.216 ( 7.623 -10.169 6.232) 14.155 8.721 ( -0.987 -39.957 2.292) 40.035 9.008 ( 0.051 22.248 -0.879) 22.265 15.762 ( -0.573 24.472 -4.621) 24.911 17.671 ( 0.509 2.629 0.371) 2.704 18.066 ( 0.516 -7.260 2.095) 7.574 19.469 ( -0.921 8.798 6.620) 11.049 ======================= Grid point 1742 (854/1062) ======================= q-point: ( 0.65 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( 8.788 -10.475 16.406) 21.357 5.183 ( -7.067 5.683 -16.406) 18.746 6.423 ( -3.073 -23.632 6.617) 24.732 6.605 ( 5.026 -16.172 -3.193) 17.234 7.584 ( -2.143 -17.854 1.216) 18.024 8.345 ( 4.606 20.787 1.980) 21.383 8.529 ( -1.004 3.271 1.459) 3.719 9.544 ( 0.217 -39.115 1.717) 39.153 15.210 ( -0.693 30.934 -4.280) 31.236 17.638 ( 0.434 1.381 -0.588) 1.562 18.277 ( 0.332 -12.424 1.898) 12.572 19.296 ( 0.037 12.375 5.705) 13.626 ======================= Grid point 1743 (855/1062) ======================= q-point: (-0.30 -0.70 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.998 ( 9.151 -12.921 16.475) 22.850 4.946 ( -8.726 4.627 -16.204) 18.977 6.411 ( 0.617 5.312 -0.119) 5.349 7.292 ( -0.335 -34.126 3.577) 34.315 7.666 ( -0.313 28.652 -0.200) 28.655 7.944 ( -2.451 -6.543 0.809) 7.034 8.647 ( 2.687 -5.232 1.651) 6.109 10.169 ( 0.424 -27.549 1.109) 27.575 14.655 ( -0.756 25.753 -2.745) 25.910 17.619 ( -0.055 0.349 -1.439) 1.482 18.491 ( -0.041 -8.866 2.057) 9.101 19.094 ( 0.921 11.961 3.344) 12.453 ======================= Grid point 1744 (856/1062) ======================= q-point: (-0.25 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( 10.205 -9.848 18.092) 22.988 4.758 ( -9.963 -2.853 -17.288) 20.157 6.325 ( 0.270 4.247 -0.082) 4.257 6.977 ( -2.426 38.841 -1.347) 38.940 7.675 ( -1.327 -6.215 1.987) 6.659 8.226 ( -0.305 -18.378 2.433) 18.541 8.733 ( 1.692 -1.880 -0.218) 2.539 10.543 ( 0.428 -12.358 0.069) 12.366 14.293 ( -0.747 10.931 -0.544) 10.970 17.619 ( -0.407 -1.534 -1.345) 2.081 18.598 ( -0.233 -1.245 3.862) 4.064 18.919 ( 1.303 8.456 -1.483) 8.684 ======================= Grid point 1745 (857/1062) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.476 ( -0.832 5.464 1.260) 5.668 4.919 ( 0.439 -18.414 -1.411) 18.473 6.257 ( -2.752 8.740 -3.757) 9.903 6.282 ( 2.242 27.585 4.043) 27.969 7.594 ( -0.491 13.428 0.526) 13.447 8.489 ( -0.841 -7.750 3.043) 8.368 8.737 ( 0.660 1.903 -2.333) 3.082 10.619 ( 0.378 4.063 -0.747) 4.149 14.275 ( -0.799 -9.536 1.403) 9.671 17.659 ( -0.044 -3.265 -0.380) 3.287 18.579 ( -0.264 4.970 5.313) 7.280 18.787 ( 0.870 5.069 -6.073) 7.958 ======================= Grid point 1746 (858/1062) ======================= q-point: (-0.15 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.347 ( -4.899 5.016 -6.518) 9.573 5.053 ( -0.465 10.201 1.725) 10.356 5.953 ( 6.133 -0.967 4.798) 7.847 6.241 ( 2.307 0.778 1.202) 2.715 7.212 ( 0.433 27.777 -0.081) 27.780 8.521 ( -1.691 3.954 2.309) 4.881 8.653 ( 0.236 5.888 -3.306) 6.757 10.407 ( 0.499 18.622 -0.901) 18.651 14.618 ( -1.185 -26.668 2.095) 26.777 17.709 ( 0.890 -1.033 0.168) 1.374 18.454 ( -0.315 10.918 2.165) 11.135 18.729 ( -0.106 -2.648 -4.541) 5.257 ======================= Grid point 1747 (859/1062) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.093 ( -10.061 11.971 -16.639) 22.834 4.788 ( 6.349 16.813 12.703) 22.008 6.138 ( 1.583 -2.989 -1.007) 3.529 6.373 ( 10.261 -2.487 6.692) 12.500 6.667 ( 2.266 22.155 0.780) 22.284 8.362 ( -2.157 11.381 -0.934) 11.622 8.512 ( 0.516 8.436 -1.850) 8.651 9.962 ( 0.776 29.714 -0.510) 29.728 15.191 ( -1.944 -34.981 1.460) 35.066 17.692 ( 1.454 3.566 -0.914) 3.958 18.215 ( 0.061 14.789 0.771) 14.809 18.848 ( -1.264 -11.819 -1.722) 12.010 ======================= Grid point 1748 (860/1062) ======================= q-point: (-0.05 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.646 ( -10.634 16.423 -19.678) 27.749 4.704 ( 12.305 10.049 17.843) 23.890 5.811 ( 2.618 39.982 -1.038) 40.081 6.207 ( 0.895 1.389 2.159) 2.718 6.951 ( 12.206 -16.601 4.248) 21.039 8.122 ( -0.882 9.997 -1.634) 10.168 8.333 ( 0.866 10.767 -2.434) 11.072 9.352 ( 0.967 37.218 0.059) 37.230 15.814 ( -2.740 -32.940 -0.097) 33.054 17.615 ( 1.258 4.538 -1.724) 5.015 17.970 ( 0.416 11.243 1.529) 11.354 19.084 ( -1.977 -14.632 0.286) 14.768 ======================= Grid point 1756 (861/1062) ======================= q-point: ( 0.35 0.35 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -2.675 0.000 5.720) 6.315 2.391 ( 11.299 -0.000 -2.414) 11.554 3.786 ( -6.150 0.000 10.052) 11.784 4.177 ( 4.790 -0.000 -6.247) 7.872 5.974 ( 8.384 -0.000 -14.228) 16.515 6.733 ( 14.580 -0.000 8.148) 16.702 7.978 ( 4.545 -0.000 0.721) 4.602 10.840 ( 0.379 -0.000 6.783) 6.793 15.051 ( 1.039 -0.000 2.165) 2.401 18.024 ( -1.791 0.000 3.643) 4.059 18.396 ( 0.918 -0.000 -3.168) 3.299 19.991 ( -5.723 0.000 -5.763) 8.121 ======================= Grid point 1757 (862/1062) ======================= q-point: ( 0.40 0.35 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 12.203 0.679 0.840) 12.251 2.853 ( -1.760 -44.952 4.595) 45.220 3.700 ( -5.046 5.613 8.209) 11.151 4.403 ( 2.693 -20.632 -3.088) 21.035 5.954 ( 0.738 -1.910 -16.700) 16.825 6.908 ( 19.668 0.336 10.524) 22.309 7.972 ( 4.324 4.504 0.148) 6.245 10.767 ( -0.589 9.929 4.001) 10.721 15.171 ( 0.286 -10.634 1.968) 10.818 18.001 ( -1.268 2.989 3.793) 4.993 18.525 ( -0.170 -13.777 -1.420) 13.851 19.824 ( -5.057 10.348 -5.736) 12.866 ======================= Grid point 1758 (863/1062) ======================= q-point: ( 0.45 0.35 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 12.815 -1.425 4.772) 13.749 3.649 ( -3.004 -0.942 7.008) 7.683 3.876 ( -1.977 -62.071 4.169) 62.242 4.874 ( 1.665 -29.233 -1.125) 29.302 5.899 ( -3.960 -1.916 -16.563) 17.137 7.119 ( 20.202 -0.806 10.307) 22.694 7.898 ( 2.818 5.776 -1.027) 6.508 10.539 ( 0.045 15.323 0.901) 15.349 15.427 ( -0.467 -15.873 1.131) 15.920 17.936 ( -0.726 4.862 3.569) 6.075 18.813 ( -0.802 -15.229 1.786) 15.354 19.509 ( -4.689 15.513 -4.855) 16.918 ======================= Grid point 1759 (864/1062) ======================= q-point: ( 0.50 0.35 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 12.279 -6.403 10.169) 17.181 3.762 ( -3.017 -11.510 6.632) 13.622 5.034 ( 0.462 -60.922 0.928) 60.931 5.455 ( 1.450 -32.600 0.166) 32.633 5.815 ( -7.463 -2.882 -14.763) 16.791 7.325 ( 17.062 -0.219 7.464) 18.625 7.832 ( 0.770 1.104 -0.452) 1.420 10.234 ( 0.422 18.219 -0.612) 18.234 15.728 ( -0.517 -16.566 0.129) 16.575 17.855 ( -0.078 5.173 3.065) 6.014 18.845 ( -0.145 17.128 -1.062) 17.161 19.348 ( -4.148 -7.798 1.537) 8.965 ======================= Grid point 1760 (865/1062) ======================= q-point: ( 0.55 0.35 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 10.474 -7.574 14.684) 19.562 4.117 ( -1.797 -27.280 4.786) 27.755 5.590 ( -4.697 -0.783 -16.078) 16.768 6.060 ( 0.742 -31.843 2.069) 31.919 6.192 ( -1.719 -47.158 -0.286) 47.190 7.462 ( 7.854 -4.998 2.912) 9.754 7.914 ( 2.781 -7.706 2.977) 8.716 9.877 ( 0.198 20.815 -0.818) 20.832 15.987 ( -0.229 -10.844 -0.979) 10.891 17.783 ( 0.538 4.113 2.155) 4.675 18.418 ( -0.597 23.484 -1.490) 23.539 19.515 ( -1.800 -7.339 4.699) 8.898 ======================= Grid point 1761 (866/1062) ======================= q-point: ( 0.60 0.35 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( 8.059 -6.819 15.367) 18.643 4.765 ( 0.305 -40.756 4.503) 41.005 5.419 ( -8.328 3.673 -15.243) 17.754 6.589 ( 5.692 -17.768 1.330) 18.705 6.764 ( -3.459 -20.095 -2.621) 20.559 7.894 ( 1.397 -37.979 4.095) 38.225 8.135 ( 3.131 -11.627 2.903) 12.386 9.464 ( -0.504 24.237 -0.551) 24.248 16.037 ( -0.049 6.322 -2.460) 6.784 17.732 ( 0.702 3.121 0.709) 3.276 18.085 ( -0.203 9.747 0.665) 9.771 19.587 ( -0.357 1.216 5.042) 5.199 ======================= Grid point 1762 (867/1062) ======================= q-point: (-0.35 -0.65 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( 6.320 -8.637 13.459) 17.196 5.177 ( -5.492 6.512 -12.856) 15.422 5.626 ( -2.868 -47.809 4.528) 48.109 6.663 ( 3.085 5.015 -2.982) 6.600 7.181 ( -1.955 -24.696 1.114) 24.798 8.353 ( 3.590 -9.856 2.873) 10.876 8.732 ( -0.987 -41.153 3.425) 41.307 8.984 ( -1.360 23.405 -1.336) 23.482 15.720 ( -0.163 25.267 -3.165) 25.465 17.680 ( 0.457 2.884 0.023) 2.920 18.088 ( 0.126 -7.625 1.418) 7.757 19.519 ( 0.637 8.458 4.492) 9.599 ======================= Grid point 1763 (868/1062) ======================= q-point: (-0.30 -0.65 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( 4.739 -12.358 9.841) 16.493 4.939 ( -6.548 7.651 -9.849) 14.086 6.429 ( -3.706 -21.038 5.623) 22.090 6.635 ( 3.313 -19.315 -3.770) 19.956 7.577 ( -0.455 -18.618 1.477) 18.682 8.371 ( -3.205 33.412 0.580) 33.570 8.546 ( 2.142 -7.774 0.827) 8.106 9.558 ( -0.163 -39.541 1.100) 39.556 15.170 ( -0.359 31.088 -2.415) 31.183 17.637 ( -0.007 2.051 -0.452) 2.100 18.294 ( -0.054 -12.401 1.075) 12.448 19.350 ( 1.470 12.416 3.229) 12.913 ======================= Grid point 1764 (869/1062) ======================= q-point: (-0.25 -0.65 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.206 ( 1.310 -17.049 1.940) 17.209 4.723 ( -3.626 7.773 -2.199) 8.854 6.403 ( -1.238 4.789 -0.573) 4.979 7.313 ( -0.305 -33.286 2.352) 33.370 7.661 ( -0.661 34.242 0.381) 34.251 7.919 ( -2.392 -12.087 1.945) 12.475 8.675 ( 0.623 -5.144 -1.193) 5.317 10.179 ( 0.075 -27.521 0.271) 27.523 14.628 ( -0.490 25.450 -0.897) 25.471 17.603 ( -0.673 0.852 -0.707) 1.295 18.503 ( -0.300 -9.314 1.124) 9.387 19.138 ( 2.099 12.977 1.075) 13.189 ======================= Grid point 1765 (870/1062) ======================= q-point: (-0.20 -0.65 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.420 ( -10.966 -8.609 -18.476) 23.146 4.699 ( 8.396 -4.972 16.837) 19.461 6.309 ( -1.373 3.887 -1.359) 4.340 6.966 ( -0.366 38.238 3.571) 38.406 7.681 ( -0.621 -5.684 2.431) 6.213 8.231 ( -1.022 -18.878 0.756) 18.921 8.729 ( -0.302 -1.724 -2.940) 3.421 10.545 ( 0.145 -12.198 -0.579) 12.213 14.284 ( -0.575 10.439 0.669) 10.477 17.601 ( -0.864 -1.856 -0.361) 2.078 18.620 ( -0.433 -2.746 1.795) 3.308 18.931 ( 2.107 11.188 -1.689) 11.509 ======================= Grid point 1766 (871/1062) ======================= q-point: (-0.15 0.35 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.316 ( -8.834 0.696 -12.665) 15.457 4.999 ( 3.770 -10.995 5.848) 13.012 6.195 ( -1.279 8.917 -1.829) 9.192 6.420 ( 5.927 21.453 10.349) 24.545 7.605 ( 0.315 13.622 2.059) 13.780 8.480 ( -2.094 -7.996 0.065) 8.266 8.706 ( -0.808 1.898 -4.033) 4.530 10.617 ( 0.251 3.999 -0.856) 4.097 14.275 ( -0.823 -9.653 1.297) 9.775 17.655 ( -0.184 -4.268 -0.017) 4.272 18.608 ( -0.418 4.585 1.183) 4.753 18.761 ( 1.201 7.085 -2.113) 7.490 ======================= Grid point 1767 (872/1062) ======================= q-point: (-0.10 0.35 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( -9.224 7.032 -13.894) 18.099 5.077 ( 0.884 5.692 2.701) 6.362 6.105 ( 4.216 -0.649 3.629) 5.600 6.376 ( 10.256 -1.445 10.391) 14.671 7.234 ( 1.067 27.992 2.269) 28.104 8.485 ( -2.526 4.295 -2.431) 5.544 8.620 ( -1.171 4.684 -2.802) 5.582 10.409 ( 0.556 18.291 -0.486) 18.306 14.609 ( -1.445 -26.206 0.490) 26.250 17.721 ( 1.084 -1.608 -1.016) 2.190 18.461 ( -0.108 10.858 -0.245) 10.861 18.705 ( -0.584 -1.640 0.926) 1.972 ======================= Grid point 1768 (873/1062) ======================= q-point: (-0.05 0.35 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( -10.287 14.873 -16.923) 24.767 5.004 ( 7.264 6.506 10.422) 14.273 6.153 ( 1.827 0.456 -1.573) 2.453 6.598 ( 6.815 24.676 7.198) 26.593 6.782 ( 9.961 -5.316 7.659) 13.643 8.302 ( -2.051 10.776 -4.137) 11.724 8.488 ( -1.282 7.480 -2.265) 7.920 9.974 ( 0.927 29.385 0.173) 29.401 15.158 ( -2.311 -34.236 -1.368) 34.341 17.699 ( 1.726 3.795 -2.896) 5.076 18.232 ( 0.338 14.150 2.141) 14.315 18.826 ( -2.006 -11.268 2.527) 11.721 ======================= Grid point 1777 (874/1062) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -3.562 0.000 5.832) 6.834 2.588 ( 13.179 -0.000 2.197) 13.361 3.773 ( -8.252 0.000 11.483) 14.140 4.191 ( 4.538 -0.000 -6.222) 7.701 5.862 ( -0.085 0.000 -17.557) 17.557 7.107 ( 18.587 -0.000 9.793) 21.009 8.057 ( 4.032 -0.000 1.795) 4.413 10.862 ( -3.469 0.000 3.808) 5.151 15.085 ( 0.667 -0.000 2.138) 2.240 18.037 ( -0.985 0.000 3.745) 3.872 18.379 ( 0.692 -0.000 -3.072) 3.149 19.855 ( -4.414 0.000 -6.010) 7.457 ======================= Grid point 1778 (875/1062) ======================= q-point: ( 0.45 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 11.166 -2.551 3.597) 12.005 2.868 ( -1.847 -42.634 4.809) 42.944 3.696 ( -6.691 4.526 10.713) 13.418 4.412 ( 2.438 -20.694 -3.476) 21.126 5.780 ( -1.334 -0.394 -17.204) 17.261 7.293 ( 16.427 -0.780 8.678) 18.595 8.038 ( 2.995 5.877 1.753) 6.825 10.760 ( -3.054 9.048 1.630) 9.688 15.191 ( 0.067 -9.705 1.757) 9.864 18.019 ( -0.655 2.958 3.314) 4.490 18.513 ( 0.100 -14.382 -0.957) 14.414 19.701 ( -3.661 10.158 -5.706) 12.212 ======================= Grid point 1779 (876/1062) ======================= q-point: ( 0.50 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 11.129 -3.294 5.244) 12.736 3.657 ( -7.301 -2.582 11.614) 13.959 3.887 ( -0.525 -61.342 2.815) 61.409 4.884 ( 1.207 -29.735 -1.613) 29.803 5.689 ( -2.745 0.176 -16.019) 16.254 7.472 ( 13.900 -1.541 7.081) 15.676 7.922 ( 0.309 7.974 0.735) 8.014 10.527 ( -1.497 14.426 -0.263) 14.506 15.429 ( -0.412 -15.180 0.912) 15.213 17.958 ( -0.220 4.620 2.662) 5.337 18.830 ( 0.333 -16.861 2.734) 17.084 19.398 ( -3.329 15.615 -5.404) 16.855 ======================= Grid point 1780 (877/1062) ======================= q-point: ( 0.55 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 9.429 -9.069 8.563) 15.636 3.766 ( -5.790 -11.300 8.928) 15.521 5.045 ( 0.117 -60.732 0.590) 60.735 5.447 ( -4.728 -27.406 -0.586) 27.817 5.611 ( 0.670 -7.116 -12.528) 14.423 7.576 ( 8.413 4.965 2.655) 10.123 7.841 ( -0.521 -2.072 2.337) 3.166 10.221 ( -0.722 17.661 -0.852) 17.696 15.723 ( -0.302 -16.248 0.067) 16.251 17.881 ( 0.375 4.914 2.007) 5.322 18.841 ( 0.191 21.009 -0.210) 21.010 19.312 ( -1.632 -13.405 0.563) 13.516 ======================= Grid point 1781 (878/1062) ======================= q-point: (-0.40 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( 6.428 -8.318 10.785) 15.061 4.116 ( -4.705 -28.894 5.495) 29.786 5.378 ( -4.058 3.148 -12.350) 13.376 6.059 ( -3.491 -38.768 3.424) 39.075 6.207 ( 4.123 -42.768 -2.177) 43.022 7.531 ( -0.054 -2.138 0.522) 2.202 7.988 ( 1.736 -9.283 2.949) 9.894 9.864 ( -0.782 20.588 -0.507) 20.609 15.978 ( 0.087 -10.379 -0.780) 10.408 17.809 ( 0.854 4.254 1.044) 4.463 18.400 ( -0.454 23.057 -0.649) 23.071 19.542 ( 0.605 -8.577 3.006) 9.109 ======================= Grid point 1782 (879/1062) ======================= q-point: (-0.35 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 2.757 -7.244 8.239) 11.312 4.774 ( -5.410 -42.742 3.433) 43.220 5.214 ( -1.928 5.622 -7.246) 9.372 6.669 ( -1.048 -30.530 1.577) 30.588 6.694 ( 1.869 -6.343 -3.249) 7.368 7.911 ( -2.039 -40.353 2.487) 40.481 8.189 ( 0.099 -10.486 0.983) 10.532 9.447 ( -1.196 24.417 0.172) 24.447 16.020 ( 0.335 7.175 -1.624) 7.364 17.746 ( 0.823 3.733 -0.108) 3.824 18.087 ( -0.373 8.599 0.683) 8.634 19.635 ( 1.681 0.884 2.882) 3.451 ======================= Grid point 1783 (880/1062) ======================= q-point: (-0.30 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( -0.633 -9.663 2.131) 9.915 5.002 ( -5.645 5.525 -2.380) 8.249 5.653 ( 0.259 -46.274 4.606) 46.503 6.651 ( -0.162 5.005 -3.872) 6.330 7.183 ( 0.020 -24.904 1.976) 24.982 8.366 ( -2.784 -9.534 -1.511) 10.046 8.749 ( -1.040 -45.210 2.837) 45.311 8.958 ( -0.980 26.678 0.214) 26.697 15.698 ( 0.188 25.810 -1.516) 25.855 17.685 ( 0.358 3.232 -0.340) 3.269 18.096 ( -0.305 -7.764 0.640) 7.796 19.573 ( 2.358 8.441 1.917) 8.971 ======================= Grid point 1784 (881/1062) ======================= q-point: (-0.25 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.897 ( -5.093 -12.887 -7.128) 15.583 4.867 ( -0.100 6.989 7.114) 9.973 6.407 ( -4.971 -15.319 3.932) 16.578 6.647 ( 3.056 -25.037 -3.952) 25.530 7.592 ( 0.129 -18.865 1.885) 18.959 8.283 ( -7.279 25.161 -0.545) 26.198 8.584 ( 1.763 0.469 -0.444) 1.878 9.559 ( -0.537 -39.838 0.351) 39.843 15.154 ( -0.067 31.222 -0.329) 31.224 17.629 ( -0.437 2.660 -0.390) 2.724 18.296 ( -0.431 -12.481 0.253) 12.491 19.401 ( 2.925 12.642 0.390) 12.982 ======================= Grid point 1785 (882/1062) ======================= q-point: (-0.20 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.029 ( -9.826 -13.513 -16.320) 23.356 4.840 ( 5.205 3.561 15.627) 16.852 6.364 ( -2.644 4.188 -1.222) 5.101 7.323 ( -0.372 -32.733 0.399) 32.737 7.653 ( -2.117 34.963 2.785) 35.138 7.907 ( -1.498 -15.221 1.934) 15.416 8.644 ( -1.346 -4.644 -3.982) 6.264 10.176 ( -0.244 -27.553 -0.648) 27.561 14.623 ( -0.241 25.402 1.136) 25.429 17.585 ( -1.195 1.071 -0.016) 1.605 18.502 ( -0.566 -9.617 0.129) 9.635 19.179 ( 3.228 13.717 -1.354) 14.157 ======================= Grid point 1786 (883/1062) ======================= q-point: (-0.15 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.080 ( -10.570 -9.492 -17.431) 22.487 4.954 ( 5.653 -2.695 13.706) 15.069 6.263 ( -2.105 3.913 -2.155) 4.938 7.027 ( 1.080 32.367 7.869) 33.327 7.700 ( 0.049 -6.111 2.338) 6.543 8.209 ( -1.916 -17.951 -0.431) 18.058 8.671 ( -1.881 -2.001 -5.565) 6.206 10.537 ( -0.077 -12.348 -1.199) 12.406 14.288 ( -0.419 10.633 1.951) 10.819 17.586 ( -1.247 -2.309 0.668) 2.708 18.617 ( -0.589 -3.088 -0.622) 3.204 18.953 ( 2.821 12.248 -1.706) 12.684 ======================= Grid point 1787 (884/1062) ======================= q-point: (-0.10 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.041 ( -9.022 -2.062 -14.434) 17.146 5.091 ( 1.618 -2.895 4.434) 5.537 6.172 ( -0.211 3.417 -1.080) 3.590 6.652 ( 8.381 16.310 14.562) 23.416 7.638 ( 0.682 13.173 3.013) 13.530 8.431 ( -2.818 -7.390 -2.106) 8.185 8.637 ( -2.175 0.961 -5.638) 6.118 10.612 ( 0.186 3.520 -0.903) 3.639 14.274 ( -0.842 -8.803 1.216) 8.926 17.653 ( -0.350 -4.921 0.503) 4.959 18.586 ( -0.179 4.698 -4.058) 6.211 18.786 ( 1.193 7.517 2.737) 8.089 ======================= Grid point 1788 (885/1062) ======================= q-point: (-0.05 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.845 ( -9.048 8.869 -13.990) 18.874 5.131 ( 2.625 0.140 2.934) 3.939 6.154 ( 1.505 -0.421 -0.186) 1.574 6.707 ( 14.058 -3.803 15.831) 21.510 7.285 ( 1.388 27.646 4.126) 27.987 8.410 ( -2.099 4.660 -5.394) 7.431 8.558 ( -3.259 3.277 -3.048) 5.537 10.415 ( 0.618 17.668 -0.067) 17.679 14.583 ( -1.605 -24.878 -0.945) 24.948 17.724 ( 1.189 -1.552 -2.005) 2.800 18.449 ( -0.001 8.110 -1.852) 8.319 18.725 ( -0.813 0.630 5.208) 5.308 ======================= Grid point 1798 (886/1062) ======================= q-point: ( 0.45 0.45 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -4.719 0.000 6.380) 7.936 2.805 ( 11.048 -0.000 1.837) 11.199 3.753 ( -9.797 0.000 14.818) 17.764 4.201 ( 4.237 -0.000 -6.225) 7.530 5.693 ( -0.021 0.000 -16.933) 16.933 7.431 ( 12.148 -0.000 6.483) 13.770 8.135 ( 2.390 -0.000 3.735) 4.435 10.824 ( -3.769 0.000 1.347) 4.002 15.111 ( 0.202 -0.000 1.938) 1.948 18.061 ( -0.287 0.000 3.460) 3.472 18.361 ( 0.419 -0.000 -2.685) 2.718 19.745 ( -2.887 0.000 -5.251) 5.992 ======================= Grid point 1799 (887/1062) ======================= q-point: ( 0.50 0.45 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -0.607 -31.739 5.698) 32.252 2.909 ( 3.793 -14.273 1.166) 14.815 3.702 ( -7.245 3.089 14.232) 16.266 4.414 ( 2.095 -20.509 -3.765) 20.956 5.614 ( 0.308 0.560 -15.604) 15.617 7.550 ( 8.228 -1.789 4.516) 9.555 8.092 ( 0.278 7.625 3.538) 8.411 10.725 ( -1.940 8.416 0.315) 8.642 15.206 ( -0.224 -9.046 1.497) 9.171 18.041 ( -0.078 3.225 2.451) 4.051 18.510 ( 0.446 -15.774 -0.468) 15.787 19.607 ( -2.152 10.277 -4.616) 11.470 ======================= Grid point 1800 (888/1062) ======================= q-point: (-0.45 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 4.907 -5.794 1.248) 7.694 3.639 ( -10.374 -9.991 14.001) 20.086 3.917 ( 0.425 -54.016 3.619) 54.139 4.878 ( 0.016 -29.436 -2.013) 29.505 5.534 ( 1.058 0.983 -12.935) 13.015 7.667 ( 5.157 -3.074 2.379) 6.458 7.917 ( -3.079 10.543 2.330) 11.228 10.505 ( -0.410 14.253 -0.283) 14.262 15.431 ( -0.417 -14.764 0.791) 14.791 17.979 ( 0.322 4.467 1.616) 4.762 18.874 ( 1.753 -19.921 2.875) 20.203 19.309 ( -1.892 17.142 -4.661) 17.865 ======================= Grid point 1801 (889/1062) ======================= q-point: (-0.40 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( 2.291 -12.930 1.482) 13.214 3.751 ( -8.065 -9.931 10.938) 16.832 5.051 ( -0.303 -60.753 0.961) 60.761 5.312 ( -7.086 -11.683 -2.432) 13.879 5.608 ( 7.083 -21.682 -5.714) 23.515 7.632 ( -1.692 9.879 -0.491) 10.035 7.851 ( -1.952 -6.446 2.098) 7.054 10.207 ( -0.338 17.866 -0.137) 17.870 15.720 ( -0.135 -16.116 0.154) 16.117 17.904 ( 0.860 4.779 0.863) 4.932 18.843 ( 0.092 24.230 -0.022) 24.230 19.315 ( 1.691 -17.734 0.265) 17.816 ======================= Grid point 1802 (890/1062) ======================= q-point: (-0.35 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( -1.285 -9.837 0.237) 9.923 4.073 ( -7.939 -28.803 6.459) 30.568 5.271 ( 0.159 3.198 -2.580) 4.112 6.032 ( -3.186 -41.306 2.327) 41.494 6.258 ( 4.937 -39.364 -2.300) 39.739 7.495 ( -4.754 -2.704 0.509) 5.493 7.992 ( -3.198 -9.751 -0.368) 10.269 9.850 ( -1.001 20.809 0.459) 20.838 15.975 ( 0.344 -10.174 -0.425) 10.189 17.829 ( 1.161 4.513 -0.124) 4.661 18.390 ( -0.407 22.886 0.032) 22.890 19.592 ( 3.325 -8.962 1.156) 9.629 ======================= Grid point 1803 (891/1062) ======================= q-point: (-0.30 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( -5.427 -7.811 -4.531) 10.535 4.668 ( -9.931 -36.399 3.127) 37.858 5.250 ( 5.931 -1.440 5.407) 8.154 6.597 ( -3.085 -17.454 -3.801) 18.128 6.751 ( 2.675 -17.972 1.483) 18.231 7.892 ( -3.206 -42.484 2.177) 42.661 8.139 ( -5.341 -10.557 -2.646) 12.124 9.432 ( -1.657 24.360 1.135) 24.443 16.017 ( 0.633 7.586 -0.643) 7.640 17.755 ( 0.915 4.168 -0.828) 4.347 18.086 ( -0.564 8.293 0.526) 8.328 19.693 ( 3.830 1.140 0.352) 4.012 ======================= Grid point 1804 (892/1062) ======================= q-point: (-0.25 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.599 ( -8.883 -9.312 -10.841) 16.827 4.978 ( -2.829 -2.489 9.581) 10.296 5.714 ( 1.824 -39.255 4.964) 39.609 6.594 ( -1.495 3.301 -5.037) 6.205 7.209 ( 0.172 -24.012 2.715) 24.166 8.253 ( -7.451 -8.212 -4.417) 11.937 8.746 ( -1.507 -47.846 1.003) 47.880 8.953 ( -1.400 26.776 1.649) 26.863 15.698 ( 0.468 26.061 0.266) 26.067 17.685 ( 0.243 3.715 -0.676) 3.784 18.091 ( -0.678 -7.757 -0.148) 7.788 19.627 ( 4.043 8.784 -1.025) 9.724 ======================= Grid point 1805 (893/1062) ======================= q-point: (-0.20 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.647 ( -10.941 -11.335 -15.404) 22.033 5.018 ( 3.320 3.165 15.728) 16.383 6.346 ( -6.352 -10.869 1.823) 12.720 6.658 ( 3.387 -28.753 -4.557) 29.308 7.608 ( -1.183 -18.547 2.764) 18.789 8.157 ( -7.412 16.665 -0.871) 18.259 8.580 ( -0.973 6.895 -2.209) 7.305 9.548 ( -0.817 -39.938 -0.404) 39.948 15.162 ( 0.193 31.297 1.878) 31.354 17.616 ( -0.778 3.166 -0.325) 3.276 18.285 ( -0.751 -12.618 -0.545) 12.652 19.447 ( 4.240 13.015 -2.687) 13.949 ======================= Grid point 1806 (894/1062) ======================= q-point: (-0.15 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.706 ( -10.600 -12.585 -16.339) 23.189 5.072 ( 4.483 2.533 15.674) 16.498 6.300 ( -3.546 3.188 -1.995) 5.169 7.302 ( -1.041 -29.943 -2.557) 30.070 7.656 ( -3.004 26.470 6.592) 27.444 7.905 ( -0.850 -13.489 1.395) 13.588 8.562 ( -2.838 -4.256 -6.369) 8.169 10.160 ( -0.462 -27.642 -1.484) 27.686 14.642 ( -0.010 25.620 3.213) 25.821 17.566 ( -1.546 1.006 0.670) 1.963 18.488 ( -0.810 -9.729 -0.819) 9.797 19.212 ( 4.173 14.102 -3.909) 15.217 ======================= Grid point 1807 (895/1062) ======================= q-point: (-0.10 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( -8.490 -10.797 -14.336) 19.854 5.124 ( 2.087 1.599 9.678) 10.029 6.211 ( -1.817 2.794 -2.078) 3.928 7.139 ( 2.067 23.587 10.348) 25.840 7.718 ( -0.034 -7.054 0.913) 7.112 8.165 ( -3.143 -16.205 -0.481) 16.514 8.575 ( -2.247 -2.412 -7.355) 8.060 10.521 ( -0.187 -12.790 -1.681) 12.901 14.307 ( -0.288 11.516 3.196) 11.955 17.575 ( -1.501 -2.841 1.687) 3.629 18.592 ( -0.599 -2.453 -2.465) 3.529 18.983 ( 3.264 11.759 -2.316) 12.421 ======================= Grid point 1808 (896/1062) ======================= q-point: (-0.05 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.789 ( -7.054 -2.059 -11.848) 13.942 5.139 ( 0.422 0.011 2.867) 2.898 6.163 ( 0.243 0.799 -0.947) 1.263 6.932 ( 8.910 9.394 15.214) 19.977 7.675 ( 0.216 11.500 2.644) 11.802 8.360 ( -3.333 -6.820 -2.568) 8.013 8.539 ( -2.472 0.512 -6.745) 7.202 10.606 ( 0.207 2.711 -0.871) 2.855 14.272 ( -0.850 -7.093 1.189) 7.242 17.654 ( -0.480 -5.182 0.999) 5.300 18.540 ( 0.099 4.795 -5.205) 7.078 18.835 ( 1.114 6.854 3.403) 7.733 ======================= Grid point 1819 (897/1062) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -6.059 0.000 7.319) 9.501 2.929 ( 3.903 -0.000 -1.773) 4.287 3.755 ( -9.742 0.000 17.944) 20.418 4.206 ( 3.921 -0.000 -6.251) 7.379 5.560 ( 2.158 -0.000 -14.320) 14.482 7.593 ( 3.528 -0.000 2.186) 4.150 8.183 ( -2.022 0.000 4.602) 5.027 10.797 ( 0.075 -0.000 0.510) 0.516 15.127 ( -0.308 0.000 1.576) 1.606 18.091 ( 0.308 -0.000 2.610) 2.628 18.343 ( 0.122 -0.000 -2.038) 2.042 19.670 ( -1.359 0.000 -3.507) 3.761 ======================= Grid point 1820 (898/1062) ======================= q-point: (-0.45 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -6.153 -45.050 7.397) 46.066 2.933 ( -0.976 -1.488 -2.928) 3.426 3.734 ( -6.888 1.630 15.101) 16.678 4.407 ( 1.724 -19.931 -3.893) 20.381 5.513 ( 3.518 0.767 -11.556) 12.104 7.633 ( -0.210 -2.456 0.273) 2.480 8.092 ( -5.270 8.593 3.582) 10.697 10.727 ( 2.226 8.942 0.427) 9.225 15.212 ( -0.557 -8.732 1.194) 8.831 18.062 ( 0.445 3.523 1.380) 3.810 18.517 ( 0.927 -17.745 -0.372) 17.773 19.551 ( -0.691 10.560 -2.418) 10.855 ======================= Grid point 1821 (899/1062) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -4.284 -7.861 -3.378) 9.569 3.594 ( -11.796 -17.264 12.734) 24.482 3.962 ( -0.084 -46.374 4.803) 46.622 4.849 ( -0.950 -27.600 -1.989) 27.688 5.495 ( 6.123 -0.662 -7.016) 9.336 7.677 ( -3.540 -3.611 -2.961) 5.860 7.861 ( -7.539 10.885 3.372) 13.663 10.517 ( 1.841 15.589 0.432) 15.704 15.431 ( -0.468 -14.671 0.770) 14.699 17.999 ( 0.884 4.367 0.597) 4.495 18.932 ( 3.264 -23.836 0.626) 24.066 19.260 ( -0.284 19.552 -1.399) 19.604 ======================= Grid point 1822 (900/1062) ======================= q-point: (-0.35 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -6.976 -15.317 -6.503) 18.044 3.714 ( -10.032 -9.201 10.474) 17.175 5.051 ( -2.352 -61.062 3.274) 61.195 5.233 ( -1.736 -11.257 0.737) 11.413 5.693 ( 8.797 -21.619 -2.682) 23.494 7.537 ( -8.406 8.728 -2.851) 12.449 7.796 ( -6.431 -6.444 0.535) 9.120 10.208 ( -0.061 18.999 0.731) 19.013 15.722 ( -0.036 -16.172 0.381) 16.177 17.924 ( 1.349 4.820 -0.290) 5.014 18.841 ( -0.154 25.001 -0.215) 25.002 19.371 ( 5.355 -18.850 0.137) 19.596 ======================= Grid point 1823 (901/1062) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( -9.859 -11.420 -10.817) 18.564 4.001 ( -9.674 -27.091 7.872) 29.824 5.332 ( 3.913 -0.362 7.439) 8.413 6.006 ( -1.710 -41.104 0.327) 41.141 6.315 ( 4.703 -36.085 -1.532) 36.423 7.394 ( -8.375 -6.266 -0.784) 10.489 7.887 ( -8.037 -9.603 -2.262) 12.725 9.837 ( -1.925 21.339 1.096) 21.454 15.980 ( 0.484 -10.222 0.053) 10.234 17.842 ( 1.438 4.876 -1.302) 5.247 18.388 ( -0.355 22.933 0.696) 22.946 19.666 ( 6.063 -8.324 -1.036) 10.350 ======================= Grid point 1824 (902/1062) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( -12.055 -8.304 -13.392) 19.840 4.563 ( -9.068 -35.503 5.824) 37.103 5.445 ( 7.514 -3.913 11.774) 14.505 6.511 ( -2.050 -13.215 -6.120) 14.707 6.793 ( 0.064 -20.465 2.578) 20.626 7.843 ( -4.497 -43.688 -1.607) 43.948 7.999 ( -8.374 -12.387 -1.512) 15.028 9.407 ( -3.286 24.128 1.205) 24.381 16.028 ( 0.794 7.529 0.432) 7.583 17.759 ( 0.983 4.401 -1.480) 4.746 18.080 ( -0.668 8.817 0.392) 8.851 19.759 ( 5.826 2.006 -2.550) 6.668 ======================= Grid point 1825 (903/1062) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( -12.650 -9.259 -14.828) 21.578 5.045 ( -2.826 -14.685 11.965) 19.152 5.801 ( 2.117 -27.246 6.475) 28.085 6.516 ( -1.208 0.719 -6.856) 6.999 7.228 ( -1.711 -23.176 3.243) 23.464 8.076 ( -8.507 -8.930 -5.222) 13.394 8.727 ( -1.592 -47.371 0.255) 47.399 8.927 ( -3.941 24.851 0.997) 25.182 15.718 ( 0.667 25.960 2.127) 26.056 17.681 ( 0.157 4.312 -0.934) 4.415 18.073 ( -0.927 -7.602 -0.878) 7.709 19.677 ( 5.481 9.451 -4.219) 11.712 ======================= Grid point 1826 (904/1062) ======================= q-point: (-0.15 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( -11.339 -11.722 -14.357) 21.728 5.217 ( 2.487 0.385 15.675) 15.876 6.244 ( -7.446 -9.267 -0.545) 11.900 6.663 ( 3.488 -28.553 -5.811) 29.346 7.595 ( -4.599 -17.509 3.714) 18.480 8.058 ( -4.203 8.092 0.038) 9.118 8.510 ( -4.162 10.781 -3.995) 12.228 9.527 ( -0.968 -39.847 -1.064) 39.873 15.195 ( 0.425 31.297 4.112) 31.569 17.600 ( -0.963 3.516 -0.191) 3.651 18.263 ( -0.991 -12.754 -1.297) 12.858 19.481 ( 5.254 13.473 -5.850) 15.600 ======================= Grid point 1827 (905/1062) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( -8.432 -13.763 -12.194) 20.229 5.252 ( 1.436 4.405 12.197) 13.047 6.221 ( -3.650 1.142 -2.397) 4.514 7.246 ( -1.261 -27.750 -5.322) 28.284 7.683 ( -3.302 15.237 9.561) 18.288 7.894 ( -2.192 -8.816 0.044) 9.084 8.450 ( -2.673 -5.031 -7.098) 9.102 10.135 ( -0.560 -27.800 -2.127) 27.887 14.683 ( 0.195 26.130 5.194) 26.642 17.551 ( -1.682 0.698 1.374) 2.282 18.462 ( -0.997 -9.719 -1.631) 9.905 19.233 ( 4.804 14.150 -6.503) 16.297 ======================= Grid point 1828 (906/1062) ======================= q-point: (-0.05 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( -5.368 -11.621 -9.312) 15.830 5.203 ( -1.072 4.999 5.733) 7.681 6.173 ( -0.963 0.917 -1.431) 1.953 7.273 ( 2.477 14.198 9.755) 17.404 7.702 ( -1.400 -7.886 -2.532) 8.400 8.100 ( -5.372 -14.974 0.425) 15.914 8.486 ( -0.066 -2.387 -6.363) 6.796 10.501 ( -0.180 -13.480 -1.975) 13.625 14.338 ( -0.190 13.038 4.309) 13.733 17.571 ( -1.590 -3.349 2.628) 4.544 18.555 ( -0.515 -1.720 -3.447) 3.886 19.008 ( 3.410 10.541 -3.628) 11.657 ======================= Grid point 1840 (907/1062) ======================= q-point: (-0.45 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -7.484 0.000 8.584) 11.389 2.886 ( -5.563 0.000 -3.984) 6.843 3.773 ( -9.702 0.000 17.024) 19.594 4.206 ( 3.624 -0.000 -6.302) 7.269 5.505 ( 5.317 -0.000 -9.338) 10.746 7.590 ( -4.052 0.000 -1.657) 4.378 8.136 ( -9.032 0.000 3.574) 9.714 10.850 ( 5.974 -0.000 0.726) 6.018 15.130 ( -0.813 0.000 1.086) 1.357 18.118 ( 0.826 -0.000 1.182) 1.442 18.327 ( -0.177 0.000 -1.194) 1.207 19.639 ( 0.073 -0.000 -0.858) 0.861 ======================= Grid point 1841 (908/1062) ======================= q-point: (-0.40 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -9.284 -36.992 5.425) 38.523 2.829 ( -8.136 -9.498 -1.366) 12.580 3.750 ( -7.954 0.516 12.263) 14.626 4.396 ( 1.514 -19.178 -3.768) 19.603 5.515 ( 7.103 -0.031 -5.597) 9.043 7.554 ( -7.644 -2.458 -4.281) 9.099 7.992 ( -11.187 8.129 3.454) 14.253 10.801 ( 6.281 11.187 0.524) 12.841 15.211 ( -0.872 -8.817 0.877) 8.903 18.081 ( 0.948 3.594 0.317) 3.731 18.531 ( 1.529 -19.917 -0.967) 19.999 19.543 ( 0.721 10.725 0.783) 10.778 ======================= Grid point 1842 (909/1062) ======================= q-point: (-0.35 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -12.062 -8.528 -6.236) 16.035 3.503 ( -13.876 -19.400 10.500) 26.061 3.997 ( -1.317 -43.881 5.016) 44.186 4.821 ( -0.510 -26.375 -1.173) 26.406 5.585 ( 9.734 -3.139 -0.983) 10.275 7.495 ( -12.475 -1.415 -9.114) 15.515 7.763 ( -9.780 7.409 5.521) 13.454 10.560 ( 2.534 18.365 0.477) 18.545 15.431 ( -0.517 -14.898 0.851) 14.931 18.018 ( 1.462 4.340 -0.384) 4.596 18.972 ( 3.926 -22.769 -4.432) 23.526 19.289 ( 2.363 17.091 4.479) 17.826 ======================= Grid point 1843 (910/1062) ======================= q-point: (-0.30 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -13.654 -14.691 -11.027) 22.888 3.632 ( -12.403 -10.708 9.498) 18.939 5.040 ( -4.229 -58.285 5.375) 58.685 5.255 ( 2.202 -18.883 1.731) 19.089 5.834 ( 10.515 -17.552 0.906) 20.481 7.306 ( -14.720 3.325 -8.346) 17.245 7.685 ( -9.020 -3.442 2.732) 10.034 10.206 ( -1.519 20.610 0.761) 20.680 15.726 ( -0.007 -16.365 0.718) 16.381 17.940 ( 1.804 5.077 -1.480) 5.587 18.836 ( -0.128 23.664 -0.162) 23.665 19.480 ( 8.706 -16.976 -0.645) 19.090 ======================= Grid point 1844 (911/1062) ======================= q-point: (-0.25 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -14.707 -11.939 -14.690) 23.972 3.919 ( -10.636 -26.906 8.301) 30.099 5.495 ( 3.856 -6.061 12.456) 14.379 5.985 ( 0.434 -39.479 -2.876) 39.586 6.378 ( 4.021 -29.967 0.496) 30.239 7.207 ( -12.114 -13.848 -5.709) 19.265 7.731 ( -9.844 -8.493 0.434) 13.008 9.800 ( -4.323 21.938 0.794) 22.374 15.991 ( 0.478 -10.483 0.610) 10.512 17.849 ( 1.652 5.304 -2.492) 6.089 18.393 ( -0.202 23.188 1.515) 23.239 19.758 ( 8.459 -6.686 -3.728) 11.409 ======================= Grid point 1845 (912/1062) ======================= q-point: (-0.20 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -14.428 -9.319 -14.271) 22.332 4.485 ( -8.462 -37.250 6.142) 38.689 5.677 ( 6.136 -3.567 13.854) 15.566 6.412 ( -1.510 -9.806 -9.377) 13.652 6.796 ( -3.247 -22.046 3.181) 22.510 7.693 ( -6.954 -32.492 -8.607) 34.324 7.908 ( -6.128 -27.580 5.425) 28.769 9.343 ( -6.145 23.989 0.273) 24.766 16.050 ( 0.796 6.962 1.554) 7.178 17.758 ( 1.028 4.364 -2.127) 4.962 18.074 ( -0.614 10.189 0.472) 10.218 19.823 ( 7.392 3.373 -5.753) 9.956 ======================= Grid point 1846 (913/1062) ======================= q-point: (-0.15 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( -12.506 -10.530 -12.288) 20.452 5.092 ( -4.101 -26.616 9.121) 28.433 5.882 ( -0.572 -12.390 6.601) 14.051 6.436 ( 0.556 -3.590 -8.476) 9.222 7.206 ( -4.998 -22.472 2.887) 23.201 7.920 ( -5.738 -11.972 -3.216) 13.660 8.702 ( -1.821 -44.290 -0.266) 44.329 8.844 ( -7.018 21.655 -0.289) 22.765 15.758 ( 0.778 25.441 4.018) 25.768 17.673 ( 0.146 4.934 -1.095) 5.056 18.047 ( -1.035 -7.223 -1.495) 7.448 19.716 ( 6.480 10.341 -7.481) 14.314 ======================= Grid point 1847 (914/1062) ======================= q-point: (-0.10 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( -9.076 -13.484 -9.326) 18.739 5.371 ( -0.113 -1.184 12.437) 12.494 6.107 ( -7.914 -10.520 -2.913) 13.483 6.654 ( 3.129 -25.261 -7.378) 26.502 7.537 ( -7.168 -17.306 4.103) 19.176 8.032 ( -0.765 1.765 2.126) 2.868 8.380 ( -6.751 11.813 -5.253) 14.585 9.499 ( -1.010 -39.614 -1.579) 39.658 15.252 ( 0.614 31.240 6.274) 31.869 17.584 ( -0.958 3.665 0.037) 3.789 18.231 ( -1.139 -12.843 -1.985) 13.045 19.499 ( 5.836 13.948 -8.885) 17.537 ======================= Grid point 1848 (915/1062) ======================= q-point: (-0.05 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( -4.937 -15.455 -5.912) 17.268 5.337 ( -2.398 6.958 7.247) 10.329 6.151 ( -2.593 -2.024 -1.744) 3.723 7.167 ( -1.062 -28.292 -7.701) 29.341 7.731 ( -2.625 11.654 9.928) 15.533 7.809 ( -7.156 -7.751 -3.191) 11.022 8.375 ( 0.363 -7.445 -3.925) 8.424 10.104 ( -0.558 -28.048 -2.543) 28.169 14.744 ( 0.355 26.961 6.943) 27.843 17.541 ( -1.597 0.208 2.087) 2.636 18.428 ( -1.101 -9.715 -2.252) 10.033 19.238 ( 5.029 13.939 -8.965) 17.319 ======================= Grid point 1861 (916/1062) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -8.879 0.000 10.099) 13.447 2.697 ( -13.226 0.000 -4.332) 13.917 3.757 ( -11.507 0.000 14.468) 18.486 4.200 ( 3.372 -0.000 -6.383) 7.219 5.551 ( 8.016 -0.000 -3.553) 8.768 7.433 ( -11.423 0.000 -6.600) 13.193 7.990 ( -13.363 0.000 4.323) 14.045 10.982 ( 9.932 -0.000 -0.377) 9.939 15.122 ( -1.262 0.000 0.522) 1.365 18.137 ( 1.290 -0.000 -0.557) 1.405 18.315 ( -0.454 0.000 -0.240) 0.514 19.658 ( 1.436 -0.000 2.459) 2.847 ======================= Grid point 1862 (917/1062) ======================= q-point: (-0.35 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -15.556 -4.831 -3.717) 16.708 2.734 ( -9.802 -40.234 8.679) 42.311 3.716 ( -9.895 -0.840 10.506) 14.456 4.385 ( 1.523 -18.822 -3.634) 19.230 5.618 ( 9.167 -1.519 -0.482) 9.305 7.306 ( -15.556 -1.501 -9.981) 18.543 7.843 ( -12.520 6.489 5.957) 15.308 10.909 ( 7.153 14.835 -1.314) 16.522 15.202 ( -1.091 -9.344 0.583) 9.426 18.098 ( 1.500 3.363 -0.669) 3.742 18.545 ( 2.155 -21.893 -2.047) 22.094 19.590 ( 2.221 10.440 4.473) 11.573 ======================= Grid point 1863 (918/1062) ======================= q-point: (-0.30 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -16.767 -7.914 -7.003) 19.819 3.367 ( -15.929 -18.693 10.546) 26.728 4.015 ( -2.602 -44.472 5.370) 44.870 4.812 ( 0.330 -26.773 -0.780) 26.787 5.760 ( 10.963 -5.373 2.725) 12.510 7.137 ( -19.390 -0.603 -12.956) 23.328 7.666 ( -10.101 5.312 6.963) 13.369 10.585 ( 0.290 21.593 -0.947) 21.616 15.432 ( -0.514 -15.377 1.007) 15.419 18.037 ( 2.021 4.457 -1.450) 5.104 18.976 ( 3.918 -16.434 -7.035) 18.301 19.411 ( 5.747 9.707 7.405) 13.494 ======================= Grid point 1864 (919/1062) ======================= q-point: (-0.25 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -16.571 -13.179 -10.976) 23.848 3.515 ( -14.243 -13.017 10.274) 21.859 5.023 ( -4.383 -56.091 5.331) 56.514 5.310 ( 2.847 -25.999 0.956) 26.172 6.033 ( 11.578 -13.795 4.192) 18.491 6.930 ( -20.102 -1.900 -13.228) 24.139 7.580 ( -9.460 -0.945 5.569) 11.018 10.162 ( -4.851 21.958 -0.205) 22.488 15.735 ( -0.038 -16.611 1.111) 16.648 17.951 ( 2.160 5.543 -2.771) 6.562 18.838 ( 0.217 21.729 0.473) 21.736 19.623 ( 11.341 -13.547 -2.567) 17.853 ======================= Grid point 1865 (920/1062) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -15.622 -12.146 -12.287) 23.293 3.827 ( -11.236 -27.934 8.606) 31.315 5.657 ( 0.732 -14.141 13.381) 19.482 5.961 ( 2.513 -35.456 -7.720) 36.374 6.441 ( 0.541 -16.970 3.399) 17.316 6.927 ( -11.698 -27.567 -11.006) 31.905 7.608 ( -9.342 -7.856 5.376) 13.338 9.709 ( -7.723 22.353 -0.281) 23.651 16.006 ( 0.336 -10.901 1.200) 10.972 17.847 ( 1.761 5.728 -3.672) 7.028 18.411 ( 0.094 23.669 2.581) 23.809 19.854 ( 10.142 -4.288 -6.934) 13.013 ======================= Grid point 1866 (921/1062) ======================= q-point: (-0.15 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -13.522 -10.802 -9.787) 19.882 4.411 ( -8.116 -38.937 5.658) 40.174 5.866 ( 1.306 -1.371 11.547) 11.701 6.285 ( -1.359 -9.367 -11.863) 15.176 6.747 ( -5.884 -23.194 1.699) 23.989 7.531 ( -3.687 -29.884 -6.101) 30.723 7.880 ( -5.277 -33.656 6.786) 34.737 9.218 ( -9.351 23.901 -1.170) 25.692 16.081 ( 0.650 5.859 2.683) 6.477 17.751 ( 1.035 3.986 -2.836) 5.000 18.072 ( -0.382 12.403 0.899) 12.441 19.877 ( 8.298 5.014 -9.061) 13.270 ======================= Grid point 1867 (922/1062) ======================= q-point: (-0.10 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -9.951 -12.587 -6.023) 17.139 5.091 ( -4.917 -34.666 5.919) 35.510 5.866 ( -6.770 -0.738 0.515) 6.829 6.395 ( 3.737 -8.025 -6.817) 11.173 7.132 ( -6.995 -22.226 2.117) 23.396 7.850 ( -1.842 -15.344 0.822) 15.476 8.643 ( -6.054 -11.090 -2.368) 12.855 8.727 ( -5.644 -11.158 0.103) 12.505 15.817 ( 0.788 24.461 5.882) 25.170 17.665 ( 0.236 5.425 -1.210) 5.564 18.014 ( -1.017 -6.479 -1.946) 6.841 19.736 ( 6.902 11.305 -10.531) 16.921 ======================= Grid point 1868 (923/1062) ======================= q-point: (-0.05 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -5.358 -15.726 -2.031) 16.737 5.434 ( -3.881 -0.511 7.087) 8.096 5.956 ( -6.752 -16.137 -3.993) 17.942 6.620 ( 2.299 -20.248 -8.864) 22.222 7.460 ( -7.234 -18.316 3.316) 19.970 8.048 ( -1.995 6.576 3.281) 7.615 8.226 ( -5.534 3.070 -4.156) 7.571 9.467 ( -0.966 -39.292 -1.938) 39.352 15.331 ( 0.725 31.169 8.250) 32.251 17.572 ( -0.771 3.575 0.328) 3.672 18.191 ( -1.188 -12.872 -2.599) 13.185 19.494 ( 5.901 14.380 -11.508) 19.340 ======================= Grid point 1882 (924/1062) ======================= q-point: (-0.35 -0.35 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -10.114 0.000 11.760) 15.511 2.413 ( -17.954 0.000 -3.421) 18.277 3.692 ( -13.899 0.000 14.502) 20.087 4.191 ( 3.190 -0.000 -6.501) 7.241 5.669 ( 8.297 -0.000 0.102) 8.298 7.112 ( -18.288 0.000 -11.238) 21.465 7.838 ( -12.453 0.000 7.300) 14.435 11.122 ( 9.985 -0.000 -4.458) 10.935 15.101 ( -1.611 0.000 -0.053) 1.612 18.148 ( 1.739 -0.000 -2.091) 2.720 18.309 ( -0.687 0.000 0.721) 0.996 19.731 ( 2.849 -0.000 5.928) 6.577 ======================= Grid point 1883 (925/1062) ======================= q-point: (-0.30 -0.35 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -18.747 -1.996 -2.683) 19.043 2.662 ( -11.336 -40.090 10.909) 43.066 3.650 ( -11.580 -2.966 11.700) 16.726 4.375 ( 1.640 -19.016 -3.737) 19.449 5.763 ( 7.674 -3.646 0.985) 8.553 6.910 ( -20.255 -0.177 -12.230) 23.661 7.729 ( -10.664 5.432 8.215) 14.516 10.972 ( 4.234 18.989 -5.493) 20.216 15.189 ( -1.148 -10.339 0.309) 10.407 18.115 ( 2.114 3.008 -1.688) 4.046 18.559 ( 2.722 -23.478 -2.956) 23.820 19.696 ( 3.961 9.621 7.667) 12.924 ======================= Grid point 1884 (926/1062) ======================= q-point: (-0.25 -0.35 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -18.118 -6.773 -4.141) 19.781 3.217 ( -17.292 -17.567 12.927) 27.835 4.018 ( -3.632 -45.511 5.695) 46.009 4.814 ( 0.912 -27.830 -0.953) 27.862 5.943 ( 7.923 -9.230 1.225) 12.226 6.688 ( -20.905 0.631 -11.944) 24.085 7.584 ( -9.257 5.133 7.813) 13.156 10.536 ( -4.353 23.998 -3.396) 24.625 15.434 ( -0.443 -16.007 1.142) 16.054 18.053 ( 2.468 4.777 -2.713) 6.022 18.973 ( 4.136 -12.454 -6.809) 14.784 19.592 ( 8.640 5.425 6.625) 12.164 ======================= Grid point 1885 (927/1062) ======================= q-point: (-0.20 -0.35 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -16.108 -11.822 -6.072) 20.883 3.390 ( -15.177 -15.033 12.286) 24.643 5.002 ( -3.852 -54.838 3.771) 55.102 5.356 ( 2.135 -29.765 0.228) 29.842 6.247 ( 8.966 -17.015 0.689) 19.246 6.466 ( -20.509 -0.765 -11.002) 23.286 7.497 ( -8.950 -0.013 7.454) 11.648 10.045 ( -9.059 22.442 -1.677) 24.260 15.746 ( -0.112 -16.844 1.477) 16.909 17.954 ( 2.340 6.151 -4.125) 7.766 18.854 ( 0.737 19.955 1.652) 20.037 19.775 ( 12.903 -9.405 -5.669) 16.944 ======================= Grid point 1886 (928/1062) ======================= q-point: (-0.15 -0.35 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -13.702 -12.305 -5.377) 19.185 3.736 ( -11.167 -29.097 9.340) 32.536 5.744 ( -3.687 -23.047 6.670) 24.274 5.908 ( 0.802 -26.035 -8.388) 27.365 6.362 ( -11.715 -10.691 -3.180) 16.175 6.775 ( 3.848 -37.279 -3.624) 37.651 7.537 ( -8.634 -8.568 8.978) 15.118 9.553 ( -11.074 22.397 -1.682) 25.041 16.023 ( 0.107 -11.427 1.777) 11.565 17.834 ( 1.737 6.067 -4.736) 7.891 18.446 ( 0.486 24.382 3.852) 24.689 19.937 ( 10.804 -1.574 -10.458) 15.118 ======================= Grid point 1887 (929/1062) ======================= q-point: (-0.10 -0.35 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -10.426 -12.377 -1.814) 16.285 4.340 ( -7.508 -39.931 5.364) 40.983 5.834 ( -10.542 0.646 -5.832) 12.065 6.230 ( 3.613 -12.567 -0.933) 13.109 6.659 ( -5.043 -23.755 -1.402) 24.324 7.476 ( 0.291 -29.020 -0.592) 29.028 7.866 ( -4.978 -34.898 7.242) 35.987 9.034 ( -11.808 23.641 -2.650) 26.558 16.119 ( 0.388 4.236 3.772) 5.685 17.737 ( 0.990 3.323 -3.613) 5.007 18.081 ( -0.020 15.300 1.679) 15.392 19.908 ( 8.399 6.617 -12.146) 16.182 ======================= Grid point 1888 (930/1062) ======================= q-point: (-0.05 -0.35 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -5.907 -14.786 2.397) 16.102 5.056 ( -5.115 -38.560 3.738) 39.077 5.688 ( -10.677 0.254 -7.849) 13.254 6.408 ( 4.245 -6.358 -5.290) 9.297 7.048 ( -6.216 -22.473 2.728) 23.475 7.863 ( 0.050 -17.148 4.036) 17.616 8.468 ( -11.034 17.738 -3.690) 21.213 8.681 ( -1.953 -39.909 0.302) 39.957 15.892 ( 0.672 23.021 7.630) 24.262 17.658 ( 0.408 5.549 -1.422) 5.743 17.980 ( -0.901 -5.162 -2.144) 5.662 19.732 ( 6.685 12.182 -13.012) 19.037 ======================= Grid point 1903 (931/1062) ======================= q-point: (-0.30 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -19.374 0.000 0.069) 19.374 2.201 ( -11.057 0.000 13.434) 17.399 3.606 ( -15.991 0.000 17.313) 23.568 4.178 ( 3.088 -0.000 -6.655) 7.337 5.760 ( 1.807 -0.000 -2.383) 2.991 6.711 ( -17.673 0.000 -9.113) 19.884 7.748 ( -9.035 0.000 9.220) 12.909 11.180 ( 6.242 -0.000 -11.377) 12.977 15.071 ( -1.827 0.000 -0.573) 1.915 18.155 ( 2.253 -0.000 -2.939) 3.704 18.308 ( -0.853 0.000 1.585) 1.800 19.857 ( 4.428 -0.000 8.750) 9.807 ======================= Grid point 1904 (932/1062) ======================= q-point: (-0.25 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -18.514 -1.105 2.418) 18.704 2.588 ( -12.521 -37.247 13.108) 41.424 3.582 ( -12.707 -5.457 14.333) 19.917 4.366 ( 1.792 -19.567 -3.954) 20.043 5.782 ( -5.905 -7.096 -8.244) 12.377 6.551 ( -11.399 1.869 -3.024) 11.941 7.668 ( -7.410 6.023 8.880) 13.040 10.918 ( -1.714 22.329 -10.902) 24.908 15.173 ( -1.034 -11.744 -0.034) 11.789 18.131 ( 2.662 2.875 -2.824) 4.830 18.576 ( 3.226 -24.696 -3.233) 25.115 19.853 ( 5.880 8.664 9.228) 13.957 ======================= Grid point 1905 (933/1062) ======================= q-point: (-0.20 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -16.230 -5.551 2.996) 17.412 3.080 ( -17.893 -16.564 16.637) 29.519 4.010 ( -4.120 -46.155 5.383) 46.650 4.820 ( 0.985 -28.851 -1.088) 28.888 5.843 ( -15.282 -14.666 -17.612) 27.547 6.456 ( -0.720 3.115 6.197) 6.973 7.528 ( -7.290 6.154 7.844) 12.351 10.381 ( -9.944 24.468 -5.816) 27.044 15.439 ( -0.339 -16.712 1.106) 16.752 18.061 ( 2.689 5.293 -4.084) 7.206 18.981 ( 4.453 -10.943 -5.629) 13.087 19.792 ( 10.468 4.739 3.646) 12.055 ======================= Grid point 1906 (934/1062) ======================= q-point: (-0.15 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -13.116 -10.464 2.805) 17.011 3.280 ( -15.049 -16.433 14.947) 26.831 4.969 ( -3.005 -53.101 0.163) 53.187 5.374 ( -1.123 -30.429 0.997) 30.466 5.900 ( -19.714 -17.870 -21.131) 33.978 6.527 ( 8.961 -4.266 9.410) 13.677 7.441 ( -7.927 0.280 8.613) 11.709 9.851 ( -12.786 21.822 -3.087) 25.480 15.758 ( -0.213 -17.065 1.723) 17.153 17.946 ( 2.303 6.787 -5.337) 8.936 18.892 ( 1.259 18.459 3.143) 18.767 19.908 ( 12.996 -5.064 -9.587) 16.925 ======================= Grid point 1907 (935/1062) ======================= q-point: (-0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -10.011 -12.243 4.393) 16.414 3.661 ( -10.271 -29.809 10.438) 33.212 5.556 ( -12.662 -15.848 -17.435) 26.748 5.897 ( -3.621 -28.959 9.357) 30.648 6.167 ( -3.010 -27.762 -9.653) 29.547 6.882 ( 7.571 -26.292 2.823) 27.506 7.504 ( -7.969 -9.683 11.374) 16.930 9.340 ( -13.238 22.001 -3.016) 25.853 16.042 ( -0.158 -12.040 2.288) 12.256 17.812 ( 1.592 6.273 -5.525) 8.510 18.499 ( 0.853 25.306 5.202) 25.849 19.988 ( 10.295 0.878 -13.872) 17.297 ======================= Grid point 1908 (936/1062) ======================= q-point: (-0.05 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -6.011 -13.755 7.754) 16.896 4.281 ( -6.502 -40.029 5.404) 40.912 5.517 ( -14.459 -4.672 -16.114) 22.148 6.305 ( 3.553 -9.915 1.381) 10.622 6.577 ( -3.199 -25.175 -1.804) 25.441 7.510 ( 1.848 -27.311 3.034) 27.541 7.860 ( -4.785 -34.209 7.562) 35.360 8.811 ( -12.438 22.882 -3.817) 26.322 16.163 ( 0.046 2.171 4.751) 5.223 17.714 ( 0.901 2.606 -4.357) 5.156 18.104 ( 0.358 18.525 2.651) 18.717 19.908 ( 7.679 7.860 -14.581) 18.257 ======================= Grid point 1924 (937/1062) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -17.642 0.000 6.905) 18.945 2.158 ( -11.581 0.000 14.957) 18.917 3.527 ( -17.280 0.000 21.400) 27.505 4.163 ( 3.075 -0.000 -6.836) 7.496 5.558 ( -17.734 0.000 -15.790) 23.745 6.525 ( -2.491 0.000 4.974) 5.563 7.731 ( -4.051 0.000 8.974) 9.846 11.082 ( -0.786 0.000 -19.316) 19.332 15.035 ( -1.888 0.000 -0.979) 2.127 18.166 ( 2.891 -0.000 -3.063) 4.212 18.312 ( -0.932 0.000 2.261) 2.445 20.028 ( 6.072 -0.000 9.916) 11.627 ======================= Grid point 1925 (938/1062) ======================= q-point: (-0.20 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -15.637 -0.717 10.550) 18.877 2.522 ( -13.132 -34.422 15.621) 40.017 3.528 ( -12.906 -7.364 16.870) 22.481 4.357 ( 1.825 -20.248 -4.072) 20.734 5.386 ( -23.019 -8.320 -20.862) 32.161 6.548 ( 2.586 1.390 10.193) 10.608 7.665 ( -2.903 8.201 7.450) 11.454 10.708 ( -9.290 23.148 -15.355) 29.290 15.156 ( -0.838 -13.370 -0.552) 13.408 18.143 ( 2.911 3.233 -3.886) 5.833 18.600 ( 3.606 -25.520 -3.056) 25.954 20.042 ( 7.404 8.277 8.342) 13.890 ======================= Grid point 1926 (939/1062) ======================= q-point: (-0.15 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -12.673 -4.600 12.235) 18.206 2.979 ( -17.464 -15.777 20.925) 31.492 3.991 ( -3.847 -46.023 3.854) 46.344 4.817 ( -1.081 -28.837 -0.506) 28.861 5.320 ( -21.489 -15.781 -24.320) 36.087 6.616 ( 6.001 0.346 12.160) 13.565 7.504 ( -4.571 8.111 6.607) 11.416 10.125 ( -14.650 22.501 -7.182) 27.794 15.443 ( -0.279 -17.502 0.795) 17.522 18.059 ( 2.617 5.934 -5.240) 8.338 19.005 ( 4.594 -10.985 -4.362) 12.681 19.973 ( 10.507 6.643 -0.530) 12.442 ======================= Grid point 1927 (940/1062) ======================= q-point: (-0.10 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -9.357 -9.334 12.768) 18.376 3.209 ( -13.696 -17.059 17.751) 28.172 4.884 ( -4.484 -43.842 -9.955) 45.181 5.252 ( -17.654 -29.322 -0.478) 34.230 5.534 ( -0.462 -30.633 -13.910) 33.647 6.750 ( 8.164 -3.956 9.011) 12.787 7.411 ( -6.656 0.292 9.167) 11.332 9.601 ( -14.705 20.278 -4.061) 25.376 15.771 ( -0.342 -17.344 1.788) 17.440 17.926 ( 2.064 7.351 -6.133) 9.794 18.952 ( 1.612 17.106 4.702) 17.814 19.991 ( 11.433 -1.090 -13.523) 17.742 ======================= Grid point 1928 (941/1062) ======================= q-point: (-0.05 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -5.678 -12.336 14.216) 19.660 3.616 ( -8.606 -29.699 11.568) 33.013 5.127 ( -16.338 -14.285 -22.306) 31.121 5.924 ( -4.276 -37.835 8.354) 38.982 6.075 ( 2.844 -27.823 -10.750) 29.963 7.027 ( 6.715 -19.913 3.567) 21.316 7.501 ( -7.120 -10.634 12.926) 18.190 9.097 ( -13.231 21.194 -4.018) 25.306 16.061 ( -0.428 -12.743 2.678) 13.028 17.781 ( 1.359 6.349 -5.909) 8.780 18.569 ( 1.049 26.411 6.495) 27.218 19.994 ( 8.703 2.520 -16.590) 18.903 ======================= Grid point 1945 (942/1062) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -14.815 0.000 14.939) 21.039 2.123 ( -11.592 0.000 16.145) 19.876 3.477 ( -17.103 0.000 25.314) 30.550 4.146 ( 3.148 -0.000 -7.023) 7.696 5.012 ( -26.122 0.000 -22.400) 34.411 6.637 ( 3.119 -0.000 13.050) 13.417 7.787 ( 2.196 -0.000 5.642) 6.054 10.791 ( -9.891 0.000 -24.559) 26.476 14.996 ( -1.789 0.000 -1.233) 2.173 18.187 ( 3.461 -0.000 -2.950) 4.547 18.321 ( -0.909 0.000 2.683) 2.832 20.221 ( 7.079 -0.000 8.619) 11.153 ======================= Grid point 1946 (943/1062) ======================= q-point: (-0.15 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -13.242 -1.170 17.971) 22.353 2.477 ( -12.818 -32.786 18.030) 39.552 3.500 ( -11.730 -7.666 18.103) 22.892 4.344 ( 0.865 -20.359 -3.615) 20.695 4.788 ( -24.272 -9.669 -24.420) 35.763 6.723 ( 3.529 0.274 14.693) 15.113 7.712 ( 2.251 11.633 3.396) 12.326 10.356 ( -16.043 20.227 -16.352) 30.560 15.136 ( -0.698 -14.923 -1.198) 14.987 18.148 ( 2.725 4.078 -4.494) 6.652 18.629 ( 3.585 -25.824 -2.857) 26.228 20.225 ( 7.426 8.928 5.306) 12.767 ======================= Grid point 1947 (944/1062) ======================= q-point: (-0.10 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -10.461 -5.049 19.468) 22.670 2.936 ( -15.577 -15.248 25.003) 33.171 3.958 ( -2.881 -44.149 -0.390) 44.244 4.640 ( -21.567 -18.220 -10.687) 30.188 4.917 ( 0.618 -29.765 -13.686) 32.766 6.825 ( 4.818 -0.586 13.704) 14.539 7.507 ( -1.566 10.624 4.050) 11.477 9.810 ( -16.583 18.670 -7.041) 25.945 15.444 ( -0.328 -18.432 0.267) 18.437 18.045 ( 2.270 6.617 -5.837) 9.111 19.039 ( 4.319 -12.270 -3.400) 13.446 20.099 ( 8.406 10.081 -4.325) 13.820 ======================= Grid point 1948 (945/1062) ======================= q-point: (-0.05 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -6.308 -9.838 20.334) 23.453 3.192 ( -11.142 -16.640 19.958) 28.273 4.563 ( -13.928 -22.439 -23.825) 35.569 5.044 ( -7.591 -50.330 1.022) 50.909 5.493 ( 3.039 -33.280 -5.552) 33.877 6.945 ( 6.540 -2.261 7.948) 10.538 7.405 ( -5.253 -0.103 9.263) 10.650 9.334 ( -13.816 18.322 -4.481) 23.380 15.780 ( -0.512 -17.768 1.683) 17.855 17.897 ( 1.673 7.790 -6.326) 10.174 19.029 ( 1.662 15.658 6.197) 16.921 20.006 ( 8.518 2.093 -16.457) 18.648 ======================= Grid point 1966 (946/1062) ======================= q-point: (-0.15 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -14.665 0.000 20.343) 25.078 2.101 ( -11.057 0.000 16.824) 20.132 3.473 ( -14.804 0.000 26.681) 30.513 4.130 ( 3.302 -0.000 -7.187) 7.910 4.391 ( -24.900 0.000 -22.868) 33.808 6.818 ( 1.798 -0.000 16.236) 16.336 7.893 ( 8.160 -0.000 -1.057) 8.229 10.342 ( -17.637 0.000 -23.104) 29.066 14.958 ( -1.540 0.000 -1.316) 2.026 18.215 ( 3.461 -0.000 -3.031) 4.601 18.333 ( -0.781 0.000 2.816) 2.922 20.394 ( 6.306 -0.000 5.472) 8.349 ======================= Grid point 1967 (947/1062) ======================= q-point: (-0.10 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -14.243 -3.129 21.790) 26.219 2.465 ( -11.309 -33.182 19.496) 40.113 3.498 ( -8.931 -5.695 14.696) 18.115 4.167 ( -21.506 -8.318 -14.568) 27.275 4.369 ( 1.997 -23.166 -10.558) 25.537 6.910 ( 1.449 -0.528 16.371) 16.443 7.787 ( 6.355 15.244 -2.559) 16.713 9.938 ( -18.614 14.420 -13.032) 26.911 15.111 ( -0.664 -16.089 -1.699) 16.192 18.144 ( 2.169 5.193 -4.476) 7.190 18.654 ( 2.909 -25.612 -2.661) 25.914 20.361 ( 5.380 10.351 2.071) 11.848 ======================= Grid point 1968 (948/1062) ======================= q-point: (-0.05 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -9.963 -8.397 23.128) 26.546 2.965 ( -12.354 -15.006 27.534) 33.703 3.856 ( -3.913 -34.350 -14.717) 37.574 4.209 ( -16.112 -25.122 -7.361) 30.739 4.881 ( 2.800 -32.567 -5.752) 33.189 7.014 ( 2.717 -1.058 13.987) 14.288 7.527 ( 0.881 12.923 0.909) 12.985 9.502 ( -14.489 14.536 -5.788) 21.324 15.438 ( -0.484 -19.480 -0.244) 19.487 18.021 ( 1.706 7.273 -5.726) 9.413 19.072 ( 3.505 -14.669 -2.777) 15.335 20.153 ( 4.938 14.141 -6.050) 16.154 ======================= Grid point 1987 (949/1062) ======================= q-point: (-0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -17.494 0.000 22.154) 28.228 2.095 ( -10.023 0.000 16.870) 19.623 3.485 ( -10.249 0.000 11.515) 15.415 3.875 ( -19.023 0.000 -7.111) 20.309 4.115 ( 3.525 -0.000 -7.301) 8.107 6.987 ( 0.033 -0.000 16.624) 16.624 7.999 ( 10.888 -0.000 -9.205) 14.257 9.863 ( -19.107 0.000 -15.200) 24.416 14.924 ( -1.168 0.000 -1.229) 1.695 18.234 ( 2.564 -0.000 -3.095) 4.019 18.349 ( -0.555 0.000 2.657) 2.714 20.511 ( 3.713 -0.000 2.757) 4.625 ======================= Grid point 1988 (950/1062) ======================= q-point: (-0.05 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -15.221 -7.112 22.745) 28.277 2.488 ( -9.195 -35.629 19.243) 41.524 3.427 ( -6.260 -4.338 -10.892) 13.291 3.802 ( -13.829 -5.663 5.826) 16.039 4.346 ( 2.700 -23.492 -5.555) 24.290 7.072 ( 0.187 -1.099 15.495) 15.535 7.846 ( 7.040 17.228 -7.919) 20.226 9.573 ( -14.825 8.744 -7.668) 18.842 15.084 ( -0.642 -16.665 -1.786) 16.773 18.132 ( 1.369 6.301 -3.941) 7.557 18.668 ( 1.744 -24.985 -2.190) 25.142 20.432 ( 2.339 11.881 0.571) 12.123 ======================= Grid point 2008 (951/1062) ======================= q-point: (-0.05 -0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -15.589 0.000 21.562) 26.607 2.105 ( -8.618 0.000 16.250) 18.394 3.262 ( -5.584 0.000 -23.387) 24.045 3.785 ( -10.895 0.000 27.760) 29.821 4.103 ( 3.800 -0.000 -7.338) 8.264 7.131 ( 0.022 -0.000 14.189) 14.189 8.039 ( 8.135 -0.000 -14.571) 16.688 9.509 ( -12.276 0.000 -6.653) 13.963 14.899 ( -0.709 0.000 -0.988) 1.216 18.235 ( 1.034 -0.000 -2.673) 2.866 18.365 ( -0.253 0.000 2.230) 2.244 20.566 ( 0.818 -0.000 1.828) 2.003 ======================= Grid point 2009 (952/1062) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 0.000 -0.000 0.000) 0.000 2.283 ( 0.000 -0.000 -0.000) 0.000 2.733 ( 0.000 -0.000 0.000) 0.000 4.018 ( -0.000 0.000 0.000) 0.000 4.182 ( -0.000 0.000 0.000) 0.000 7.348 ( -0.000 0.000 0.000) 0.000 7.834 ( -0.000 0.000 0.000) 0.000 9.338 ( 0.000 -0.000 0.000) 0.000 14.878 ( 0.000 -0.000 0.000) 0.000 18.200 ( -0.000 0.000 0.000) 0.000 18.398 ( -0.000 0.000 0.000) 0.000 20.598 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 2011 (953/1062) ======================= q-point: ( 0.05 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 9.592 -15.629 -8.892) 20.380 2.728 ( 0.096 -42.536 -0.539) 42.540 2.776 ( 1.367 -4.059 8.801) 9.788 3.941 ( 0.879 8.762 -1.317) 8.904 4.365 ( 0.771 -20.631 -1.452) 20.696 7.357 ( 0.576 -1.239 -3.158) 3.440 7.716 ( -2.167 11.004 2.196) 11.428 9.308 ( 4.501 5.683 1.109) 7.333 15.041 ( 0.137 -16.362 0.454) 16.369 18.077 ( -0.457 8.263 0.646) 8.301 18.656 ( -0.347 -21.638 0.130) 21.641 20.460 ( -0.741 14.526 0.131) 14.545 ======================= Grid point 2012 (954/1062) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 9.097 -17.689 -23.140) 30.514 2.981 ( 4.478 -10.629 22.691) 25.454 3.623 ( 6.534 -33.831 -20.393) 40.039 3.862 ( -1.590 -18.269 16.413) 24.611 4.867 ( 0.272 -32.592 -0.700) 32.601 7.322 ( -2.512 5.052 -3.970) 6.899 7.539 ( 1.046 3.708 -0.694) 3.915 9.207 ( 7.719 11.430 2.089) 13.950 15.410 ( -0.094 -21.814 0.852) 21.831 17.926 ( -0.718 8.511 1.678) 8.704 19.068 ( -1.488 -21.643 0.342) 21.697 20.084 ( -1.424 25.131 1.742) 25.231 ======================= Grid point 2013 (955/1062) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 2.130 -12.797 -26.714) 29.697 3.380 ( 6.258 -15.464 13.060) 21.187 3.798 ( 11.883 -9.811 2.351) 15.588 4.826 ( -0.076 -54.901 7.308) 55.386 5.495 ( -0.248 -35.359 -0.614) 35.365 7.165 ( -4.143 3.879 -2.337) 6.137 7.587 ( 3.902 -6.301 -6.234) 9.685 9.030 ( 9.699 16.647 2.898) 19.483 15.796 ( -0.351 -19.766 0.332) 19.772 17.776 ( -0.770 8.160 2.675) 8.621 19.285 ( -1.689 3.927 -9.638) 10.543 19.648 ( -2.945 14.969 13.457) 20.343 ======================= Grid point 2014 (956/1062) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -1.947 -11.818 -24.477) 27.250 3.770 ( 4.317 -23.053 -1.575) 23.506 4.239 ( 16.375 -16.540 18.733) 29.876 5.728 ( 0.164 -36.593 7.794) 37.414 6.116 ( 0.450 -32.671 -2.565) 32.774 7.195 ( -3.787 -14.512 -2.433) 15.194 7.745 ( 4.723 -11.221 -8.507) 14.852 8.783 ( 10.684 20.556 3.764) 23.470 16.116 ( -0.461 -15.371 -0.812) 15.400 17.653 ( -0.613 5.932 3.336) 6.833 18.800 ( -1.468 31.581 -7.176) 32.419 19.646 ( -4.055 -0.175 12.234) 12.890 ======================= Grid point 2015 (957/1062) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -3.645 -13.220 -20.991) 25.073 4.320 ( 4.539 -33.934 -1.550) 34.271 4.736 ( 15.580 -13.390 19.489) 28.317 6.167 ( -0.399 -9.670 7.505) 12.247 6.650 ( 2.117 -26.729 -4.965) 27.269 7.622 ( -2.229 -30.026 -1.865) 30.166 8.023 ( 4.370 -22.311 -7.688) 24.000 8.496 ( 10.409 21.445 4.864) 24.329 16.303 ( -0.744 -4.687 -3.699) 6.017 17.594 ( -0.370 1.734 3.931) 4.312 18.211 ( -1.099 26.314 -3.433) 26.560 19.607 ( -4.153 6.745 10.718) 13.327 ======================= Grid point 2016 (958/1062) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -4.211 -15.354 -16.862) 23.190 4.997 ( 9.022 -26.362 5.737) 28.448 5.163 ( 8.897 -20.863 10.334) 24.924 6.276 ( -0.614 -1.992 5.942) 6.297 7.065 ( 5.428 -17.022 -3.301) 18.169 8.009 ( -0.508 -16.412 -4.525) 17.032 8.206 ( 9.182 17.044 2.542) 19.527 8.656 ( 1.330 -39.774 0.098) 39.797 16.153 ( -1.493 17.952 -8.202) 19.793 17.600 ( -0.250 1.064 3.087) 3.274 17.917 ( 0.353 2.008 1.039) 2.288 19.448 ( -4.038 12.190 10.653) 16.686 ======================= Grid point 2017 (959/1062) ======================= q-point: ( 0.35 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -4.359 -16.937 -12.645) 21.581 5.282 ( 10.813 0.338 8.963) 14.048 5.830 ( 3.697 -32.046 -0.762) 32.267 6.376 ( -0.492 -10.366 8.562) 13.454 7.299 ( 11.581 -0.635 4.766) 12.539 8.045 ( 3.929 4.655 -3.580) 7.066 8.240 ( -2.243 -12.422 -2.929) 12.959 9.395 ( 1.005 -37.698 1.726) 37.751 15.619 ( -1.779 31.575 -9.251) 32.951 17.585 ( 0.731 -0.149 -1.285) 1.486 18.075 ( 0.896 -12.761 4.070) 13.424 19.221 ( -3.932 14.257 11.150) 18.522 ======================= Grid point 2018 (960/1062) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( -4.095 -16.266 -8.518) 18.812 5.312 ( 7.209 6.234 2.891) 9.959 6.125 ( 1.381 -3.915 -1.621) 4.457 6.880 ( 1.753 -32.769 9.562) 34.181 7.341 ( 13.815 9.732 13.244) 21.471 8.057 ( 0.658 -6.545 -11.111) 12.912 8.396 ( -4.329 -8.150 -0.890) 9.271 10.023 ( 0.735 -28.575 2.139) 28.665 14.982 ( -1.404 30.498 -7.696) 31.486 17.609 ( 1.606 -2.555 -4.202) 5.173 18.328 ( 0.803 -10.388 3.361) 10.947 19.003 ( -3.603 11.066 10.904) 15.948 ======================= Grid point 2019 (961/1062) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( -2.790 -10.968 -4.344) 12.122 5.235 ( 3.835 6.420 0.041) 7.479 6.151 ( 0.553 -0.078 -0.459) 0.723 7.315 ( 8.308 5.420 9.126) 13.479 7.467 ( 1.618 -20.224 7.341) 21.576 8.158 ( 2.455 -8.321 -9.334) 12.743 8.446 ( -5.487 -1.288 0.273) 5.643 10.444 ( 0.375 -15.656 1.460) 15.729 14.478 ( -0.743 19.115 -4.522) 19.657 17.651 ( 1.518 -2.493 -4.126) 5.054 18.448 ( -0.046 -0.969 2.592) 2.768 18.902 ( -1.941 2.108 6.699) 7.286 ======================= Grid point 2020 (962/1062) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1002 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.546 ( -0.001 0.001 -0.000) 0.001 5.183 ( -0.000 0.000 0.000) 0.000 6.151 ( -0.000 0.000 0.000) 0.000 7.314 ( -0.000 -0.000 0.000) 0.000 7.686 ( -0.000 0.000 -0.000) 0.000 8.270 ( 0.000 -0.000 -0.000) 0.000 8.394 ( -0.000 0.000 -0.000) 0.000 10.595 ( -0.000 0.000 0.000) 0.000 14.282 ( -0.000 0.000 0.000) 0.000 17.672 ( -0.000 0.000 0.000) 0.000 18.448 ( -0.000 -0.000 -0.000) 0.000 18.904 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 2032 (963/1062) ======================= q-point: ( 0.05 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 18.864 -0.000 -14.471) 23.775 2.287 ( 1.504 -0.000 -1.727) 2.290 2.821 ( 1.981 -0.000 16.772) 16.888 4.022 ( 0.233 -0.000 0.313) 0.390 4.172 ( 3.845 -0.000 -8.235) 9.088 7.331 ( 1.258 -0.000 -6.234) 6.359 7.820 ( -5.227 0.000 6.020) 7.973 9.423 ( 9.187 -0.000 2.540) 9.532 14.884 ( 0.506 -0.000 0.492) 0.706 18.195 ( -1.470 0.000 1.326) 1.980 18.396 ( 0.341 -0.000 -0.885) 0.948 20.586 ( -1.579 0.000 -0.102) 1.583 ======================= Grid point 2033 (964/1062) ======================= q-point: ( 0.10 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 18.264 -9.153 -22.386) 30.307 2.726 ( 2.219 -42.737 -3.699) 42.954 2.989 ( 6.346 -5.194 23.596) 24.980 3.952 ( 3.773 6.931 -3.129) 8.489 4.363 ( 2.415 -20.943 -4.018) 21.461 7.308 ( -0.160 -0.166 -8.817) 8.820 7.699 ( -4.298 10.132 5.549) 12.325 9.464 ( 12.280 6.593 3.765) 14.437 15.053 ( 0.372 -16.238 1.270) 16.292 18.075 ( -1.320 7.823 1.875) 8.152 18.648 ( -1.010 -21.375 0.309) 21.401 20.438 ( -2.357 14.081 0.161) 14.278 ======================= Grid point 2034 (965/1062) ======================= q-point: ( 0.15 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 9.804 -8.876 -26.010) 29.179 3.286 ( 7.836 -7.939 12.808) 16.984 3.585 ( 9.691 -38.480 -9.242) 40.743 4.023 ( 4.852 -20.996 14.822) 26.155 4.864 ( 0.662 -32.223 -1.550) 32.267 7.210 ( -5.524 4.983 -6.560) 9.919 7.555 ( 2.796 3.276 -2.271) 4.869 9.405 ( 13.532 12.789 4.025) 19.049 15.419 ( -0.216 -21.155 1.429) 21.204 17.932 ( -1.346 8.084 3.177) 8.790 19.039 ( -2.728 -19.842 0.654) 20.039 20.071 ( -3.164 22.982 2.816) 23.369 ======================= Grid point 2035 (966/1062) ======================= q-point: ( 0.20 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 3.334 -8.252 -24.386) 25.960 3.482 ( 5.457 -10.447 -5.944) 13.201 4.160 ( 20.565 -18.074 15.410) 31.417 4.915 ( 1.117 -52.773 10.429) 53.806 5.481 ( -0.216 -34.984 -1.398) 35.012 7.051 ( -6.524 1.950 -4.162) 7.980 7.591 ( 5.653 -5.281 -8.679) 11.627 9.249 ( 13.804 17.838 4.030) 22.913 15.792 ( -0.553 -19.160 0.362) 19.172 17.792 ( -1.187 7.824 4.103) 8.914 19.169 ( -2.225 8.306 -8.351) 11.987 19.713 ( -5.260 10.106 13.707) 17.824 ======================= Grid point 2036 (967/1062) ======================= q-point: ( 0.25 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 0.487 -9.892 -20.358) 22.639 3.800 ( 5.314 -23.720 -6.101) 25.062 4.717 ( 20.402 -15.104 19.892) 32.250 5.819 ( 0.794 -35.766 10.070) 37.165 6.092 ( 0.686 -32.359 -4.300) 32.651 7.092 ( -5.769 -17.049 -3.549) 18.345 7.737 ( 5.806 -10.861 -10.664) 16.290 9.014 ( 13.556 21.556 4.349) 25.833 16.099 ( -0.651 -14.493 -1.059) 14.546 17.678 ( -0.841 5.687 4.418) 7.251 18.705 ( -1.729 29.195 -7.373) 30.162 19.692 ( -5.895 0.876 13.868) 15.095 ======================= Grid point 2037 (968/1062) ======================= q-point: ( 0.30 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -0.235 -12.141 -15.032) 19.324 4.367 ( 4.978 -35.663 -3.030) 36.136 5.181 ( 18.022 -8.957 18.109) 27.073 6.226 ( -1.219 -7.576 6.890) 10.313 6.635 ( 2.687 -28.582 -5.388) 29.210 7.558 ( -3.308 -31.934 -2.306) 32.188 8.018 ( 4.577 -23.693 -8.120) 25.460 8.726 ( 12.719 23.227 4.886) 26.929 16.252 ( -0.976 -2.129 -4.136) 4.753 17.626 ( -0.462 1.465 4.375) 4.637 18.162 ( -1.019 23.258 -3.260) 23.507 19.642 ( -5.380 6.743 12.217) 14.955 ======================= Grid point 2038 (969/1062) ======================= q-point: ( 0.35 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -0.298 -14.134 -9.844) 17.227 5.101 ( 5.000 -38.771 -0.829) 39.101 5.484 ( 14.316 -3.484 12.779) 19.504 6.308 ( -2.066 -2.728 4.921) 5.994 7.111 ( 5.128 -22.272 -3.606) 23.138 7.948 ( -1.494 -16.529 -4.658) 17.238 8.399 ( 11.297 20.191 3.490) 23.398 8.681 ( 1.671 -39.120 0.224) 39.157 16.050 ( -1.622 19.915 -8.339) 21.651 17.621 ( -0.231 2.504 2.389) 3.469 17.939 ( 0.620 -1.431 1.884) 2.446 19.485 ( -4.812 11.824 11.735) 17.340 ======================= Grid point 2039 (970/1062) ======================= q-point: ( 0.40 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( -0.282 -15.537 -5.302) 16.419 5.492 ( 8.680 2.631 1.773) 9.241 5.903 ( 6.139 -24.973 1.022) 25.737 6.443 ( -1.590 -15.357 8.970) 17.856 7.484 ( 8.591 -12.921 0.929) 15.545 8.108 ( 5.768 13.716 -2.467) 15.082 8.181 ( -1.295 -8.613 -0.051) 8.710 9.429 ( 1.058 -37.948 1.931) 38.012 15.504 ( -1.709 31.126 -9.203) 32.503 17.586 ( 0.953 0.789 -1.171) 1.703 18.128 ( 1.004 -12.932 3.907) 13.546 19.264 ( -4.406 13.927 11.669) 18.696 ======================= Grid point 2040 (971/1062) ======================= q-point: ( 0.45 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( -0.003 -15.285 -1.214) 15.333 5.425 ( 5.899 9.065 -1.671) 10.944 6.140 ( 2.301 -2.629 -0.747) 3.573 6.994 ( 1.444 -32.187 9.620) 33.625 7.645 ( 10.459 9.920 9.814) 17.439 7.974 ( 2.325 -5.168 -11.196) 12.549 8.327 ( -4.032 -7.371 1.125) 8.477 10.056 ( 0.784 -28.144 2.346) 28.252 14.889 ( -1.284 28.838 -7.599) 29.850 17.598 ( 1.787 -1.863 -3.775) 4.573 18.372 ( 0.838 -9.571 3.361) 10.178 19.045 ( -3.809 11.222 10.469) 15.813 ======================= Grid point 2041 (972/1062) ======================= q-point: ( 0.50 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( 1.158 -11.296 2.756) 11.685 5.282 ( 3.305 8.412 -2.438) 9.361 6.160 ( 1.012 0.549 -0.114) 1.157 7.394 ( -0.350 4.564 -2.345) 5.143 7.600 ( 3.799 -9.009 7.931) 12.589 8.149 ( 4.434 -11.241 -4.805) 13.004 8.388 ( -3.272 -1.611 3.522) 5.070 10.466 ( 0.488 -14.663 1.594) 14.757 14.425 ( -0.674 16.533 -4.349) 17.109 17.637 ( 1.555 -2.682 -3.947) 5.019 18.478 ( -0.035 0.140 3.891) 3.894 18.926 ( -1.964 3.325 4.957) 6.284 ======================= Grid point 2042 (973/1062) ======================= q-point: (-0.45 0.05 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( 3.636 -1.548 6.711) 7.788 5.180 ( 0.315 2.683 -1.307) 3.001 6.153 ( 0.192 0.473 0.076) 0.517 7.192 ( -7.030 5.757 -11.028) 14.289 7.706 ( 1.220 6.293 -0.279) 6.417 8.276 ( -1.589 0.854 5.538) 5.824 8.452 ( 4.937 -4.564 2.015) 7.019 10.597 ( 0.144 1.235 0.114) 1.249 14.282 ( 0.017 -3.044 0.097) 3.046 17.671 ( 0.048 -1.101 -0.378) 1.165 18.458 ( -0.033 1.958 2.309) 3.028 18.894 ( -0.012 1.367 -2.121) 2.523 ======================= Grid point 2043 (974/1062) ======================= q-point: (-0.40 0.05 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.603 ( 6.273 10.161 10.572) 15.948 5.173 ( -3.062 -2.641 -1.326) 4.255 6.148 ( -0.439 0.232 0.296) 0.578 7.019 ( -12.925 -2.699 -15.700) 20.514 7.388 ( -1.208 25.163 -6.356) 25.981 8.239 ( 0.073 5.989 10.998) 12.524 8.532 ( 4.983 2.011 0.667) 5.414 10.427 ( -0.262 16.665 -1.232) 16.713 14.531 ( 0.743 -21.738 4.262) 22.165 17.666 ( -1.327 1.897 3.839) 4.483 18.432 ( 0.009 2.901 -0.845) 3.022 18.862 ( 1.764 -1.372 -7.898) 8.208 ======================= Grid point 2044 (975/1062) ======================= q-point: (-0.35 0.05 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( 7.551 16.661 14.393) 23.276 5.161 ( -6.655 -0.660 -5.913) 8.927 6.122 ( -1.008 3.997 1.559) 4.407 6.754 ( -3.690 30.754 -9.160) 32.300 6.996 ( -13.084 -8.955 -13.538) 20.849 8.157 ( 0.671 8.630 10.089) 13.294 8.465 ( 3.112 8.733 0.907) 9.315 9.993 ( -0.641 29.046 -1.786) 29.108 15.073 ( 1.356 -32.285 6.985) 33.060 17.626 ( -1.296 3.092 4.190) 5.366 18.285 ( -0.694 11.648 -3.098) 12.073 18.955 ( 3.054 -11.210 -10.098) 15.393 ======================= Grid point 2045 (976/1062) ======================= q-point: (-0.30 0.05 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( 7.787 17.830 18.088) 26.566 5.008 ( -10.631 5.250 -13.459) 17.937 5.790 ( -2.519 35.524 0.955) 35.626 6.302 ( -0.278 6.600 -7.399) 9.919 7.054 ( -12.440 -9.964 -6.199) 17.102 8.054 ( -0.597 5.131 5.084) 7.248 8.290 ( 0.852 12.577 2.303) 12.815 9.366 ( -0.844 37.506 -1.387) 37.541 15.728 ( 1.598 -32.212 8.165) 33.269 17.587 ( -0.490 1.422 1.159) 1.899 18.025 ( -0.716 12.368 -3.737) 12.940 19.179 ( 3.090 -14.543 -9.285) 17.529 ======================= Grid point 2046 (977/1062) ======================= q-point: (-0.25 0.05 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 7.503 16.402 21.391) 27.980 4.678 ( -13.369 12.658 -18.247) 25.921 5.056 ( -2.272 38.459 -0.851) 38.536 6.226 ( 0.026 1.932 -5.186) 5.534 6.996 ( -6.181 8.989 1.545) 11.018 8.041 ( -0.836 13.804 2.176) 14.000 8.084 ( -4.617 -7.839 0.358) 9.105 8.637 ( -0.972 39.478 -0.069) 39.490 16.246 ( 1.156 -16.087 6.825) 17.513 17.573 ( 0.185 0.336 -3.176) 3.199 17.908 ( -0.122 -5.364 -0.287) 5.373 19.413 ( 2.900 -12.322 -8.163) 15.062 ======================= Grid point 2047 (978/1062) ======================= q-point: (-0.20 0.05 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 6.633 14.685 23.989) 28.898 4.171 ( -10.922 22.727 -14.740) 29.207 4.421 ( -5.332 26.187 -5.830) 27.353 6.109 ( 0.190 10.774 -5.444) 12.073 6.656 ( -1.970 24.773 3.033) 25.036 7.661 ( 1.122 28.129 1.103) 28.173 8.026 ( -3.421 21.711 5.918) 22.762 8.323 ( -6.257 -19.076 -3.869) 20.445 16.342 ( 0.462 6.792 2.614) 7.293 17.566 ( 0.239 -2.154 -2.776) 3.522 18.256 ( 0.856 -28.785 2.704) 28.925 19.574 ( 2.601 -6.337 -7.468) 10.134 ======================= Grid point 2048 (979/1062) ======================= q-point: (-0.15 0.05 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 4.743 14.518 25.919) 30.084 3.608 ( -8.717 21.817 -17.901) 29.536 3.947 ( -5.694 17.592 -3.281) 18.779 5.669 ( 0.011 36.874 -4.379) 37.133 6.127 ( -0.337 32.591 1.175) 32.614 7.256 ( 1.873 13.001 1.238) 13.193 7.749 ( -2.739 11.266 4.752) 12.530 8.625 ( -5.814 -19.551 -2.210) 20.516 16.128 ( 0.239 15.994 0.443) 16.002 17.636 ( 0.323 -6.129 -1.799) 6.396 18.877 ( 0.852 -34.252 4.867) 34.606 19.597 ( 2.041 2.177 -7.639) 8.201 ======================= Grid point 2049 (980/1062) ======================= q-point: (-0.10 0.05 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 0.921 19.628 25.808) 32.437 3.082 ( -5.459 16.393 -24.143) 29.689 3.714 ( -2.681 3.754 2.654) 5.322 4.779 ( 0.109 55.799 -2.765) 55.867 5.501 ( 0.086 35.497 0.165) 35.497 7.223 ( 1.425 -4.981 0.729) 5.232 7.585 ( -1.408 6.772 2.299) 7.288 8.907 ( -3.487 -15.919 -1.063) 16.331 15.798 ( 0.119 20.124 -0.134) 20.125 17.767 ( 0.267 -8.348 -0.928) 8.403 19.393 ( 0.666 6.955 8.059) 10.666 19.564 ( 0.895 -25.983 -9.441) 27.660 ======================= Grid point 2050 (981/1062) ======================= q-point: (-0.05 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 0.001 25.532 -0.000) 25.532 2.823 ( 0.000 6.008 0.000) 6.008 3.705 ( 0.000 58.876 -0.000) 58.876 3.765 ( -0.000 -8.052 0.000) 8.052 4.869 ( -0.000 32.691 0.000) 32.691 7.361 ( -0.000 -4.640 -0.000) 4.640 7.534 ( -0.000 -4.288 -0.000) 4.288 9.136 ( -0.000 -10.972 0.000) 10.972 15.407 ( 0.000 22.048 -0.000) 22.048 17.923 ( -0.000 -8.661 0.000) 8.661 19.078 ( -0.000 22.358 0.000) 22.358 20.086 ( -0.000 -25.939 0.000) 25.939 ======================= Grid point 2054 (982/1062) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 20.004 -0.000 -24.000) 31.244 2.297 ( 2.843 -0.000 -3.238) 4.309 3.124 ( 9.648 -0.000 27.097) 28.763 4.031 ( 0.444 -0.000 0.575) 0.726 4.166 ( 9.844 -0.000 -13.992) 17.108 7.257 ( -0.568 0.000 -11.316) 11.330 7.797 ( -6.603 0.000 9.347) 11.444 9.663 ( 15.740 -0.000 6.509) 17.033 14.903 ( 0.964 -0.000 0.944) 1.349 18.180 ( -2.723 0.000 2.354) 3.599 18.392 ( 0.640 -0.000 -1.691) 1.809 20.544 ( -3.372 0.000 -0.669) 3.438 ======================= Grid point 2055 (983/1062) ======================= q-point: ( 0.15 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 14.296 -3.459 -25.058) 29.056 2.729 ( 4.107 -41.541 -6.239) 42.207 3.359 ( 9.777 -2.637 22.388) 24.572 4.040 ( 10.854 0.018 1.276) 10.929 4.371 ( 5.516 -20.032 -6.554) 21.787 7.179 ( -4.029 1.235 -11.476) 12.225 7.697 ( -2.393 8.702 5.132) 10.383 9.745 ( 16.732 8.552 7.183) 20.117 15.075 ( 0.518 -15.886 1.828) 15.999 18.071 ( -2.033 6.960 2.923) 7.818 18.631 ( -1.549 -20.843 0.285) 20.903 20.386 ( -4.192 13.234 -0.516) 13.892 ======================= Grid point 2056 (984/1062) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 7.805 -3.924 -23.715) 25.273 3.368 ( 9.203 -9.573 -15.714) 20.573 3.762 ( 3.835 -42.589 13.705) 44.904 4.354 ( 18.831 -16.923 17.790) 30.943 4.861 ( 1.923 -31.277 -3.061) 31.485 7.033 ( -8.005 3.940 -8.149) 12.084 7.582 ( 4.469 3.563 -3.986) 6.968 9.686 ( 16.145 14.893 5.579) 22.663 15.429 ( -0.351 -20.186 1.585) 20.252 17.943 ( -1.816 7.451 4.324) 8.804 18.997 ( -3.541 -17.701 0.970) 18.078 20.033 ( -5.157 20.089 2.642) 20.908 ======================= Grid point 2057 (985/1062) ======================= q-point: ( 0.25 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 4.248 -6.010 -19.826) 21.148 3.501 ( 7.593 -10.552 -10.311) 16.593 4.616 ( 17.073 -28.579 12.957) 35.723 5.092 ( 8.363 -42.150 15.706) 45.752 5.464 ( 0.772 -34.210 -2.983) 34.348 6.886 ( -8.452 -0.145 -5.926) 10.324 7.601 ( 6.672 -3.843 -9.613) 12.317 9.518 ( 15.065 19.149 4.338) 24.748 15.786 ( -0.699 -18.466 0.229) 18.481 17.815 ( -1.483 7.399 5.037) 9.073 19.062 ( -2.319 10.926 -6.770) 13.060 19.738 ( -7.453 6.369 12.462) 15.856 ======================= Grid point 2058 (986/1062) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 3.438 -9.340 -13.290) 16.604 3.834 ( 6.766 -24.417 -6.573) 26.176 5.213 ( 19.907 -14.493 17.003) 29.924 5.942 ( 1.401 -31.084 11.468) 33.162 6.065 ( 3.249 -32.618 -5.937) 33.312 6.950 ( -7.637 -20.934 -4.291) 22.693 7.728 ( 6.263 -10.103 -11.107) 16.269 9.271 ( 13.891 22.228 4.009) 26.517 16.077 ( -0.795 -13.513 -1.167) 13.586 17.708 ( -0.989 5.455 4.951) 7.433 18.613 ( -1.649 27.335 -6.528) 28.152 19.718 ( -7.301 0.591 13.472) 15.335 ======================= Grid point 2059 (987/1062) ======================= q-point: ( 0.35 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 3.747 -11.380 -6.557) 13.659 4.424 ( 5.857 -36.420 -2.926) 37.004 5.613 ( 17.333 -5.027 14.219) 22.976 6.236 ( -3.316 -5.813 1.686) 6.901 6.655 ( 4.972 -28.880 -2.047) 29.376 7.485 ( -3.452 -33.853 -1.382) 34.057 8.014 ( 4.403 -25.205 -7.677) 26.713 8.968 ( 12.516 24.106 4.098) 27.469 16.197 ( -1.131 0.474 -4.045) 4.227 17.659 ( -0.508 1.522 4.205) 4.501 18.121 ( -0.698 19.930 -2.503) 20.099 19.667 ( -6.124 6.162 12.163) 14.947 ======================= Grid point 2060 (988/1062) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 3.991 -12.634 -1.278) 13.311 5.166 ( 5.040 -38.287 -1.914) 38.664 5.799 ( 13.085 1.435 7.252) 15.029 6.299 ( -3.744 -5.141 3.292) 7.161 7.169 ( 5.964 -23.877 -2.106) 24.700 7.887 ( -1.207 -16.098 -2.953) 16.411 8.596 ( 9.053 9.805 2.577) 13.591 8.719 ( 3.289 -27.662 0.913) 27.872 15.950 ( -1.566 21.709 -7.644) 23.069 17.638 ( -0.127 3.408 1.718) 3.819 17.971 ( 0.833 -4.124 2.396) 4.842 19.517 ( -5.131 11.220 11.498) 16.865 ======================= Grid point 2061 (989/1062) ======================= q-point: ( 0.45 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 4.028 -13.743 2.780) 14.588 5.563 ( 3.641 -0.115 -6.877) 7.782 6.047 ( 9.429 -13.455 2.937) 16.690 6.494 ( -2.630 -21.951 8.791) 23.792 7.594 ( 6.439 -18.219 -1.640) 19.393 8.083 ( -1.339 -4.312 -3.170) 5.517 8.283 ( 7.151 17.309 4.477) 19.255 9.464 ( 1.033 -38.252 2.000) 38.318 15.397 ( -1.472 30.883 -8.341) 32.024 17.593 ( 1.097 1.415 -0.892) 2.001 18.178 ( 1.033 -12.946 3.443) 13.436 19.301 ( -4.456 13.582 10.979) 18.024 ======================= Grid point 2062 (990/1062) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 4.238 -13.914 6.241) 15.828 5.447 ( 2.170 8.185 -7.611) 11.386 6.188 ( 3.827 0.393 0.778) 3.925 7.104 ( 1.575 -31.666 8.826) 32.911 7.802 ( 1.938 17.974 0.370) 18.082 7.939 ( 4.968 -11.561 -7.020) 14.409 8.321 ( -0.053 -5.307 5.780) 7.847 10.090 ( 0.795 -27.799 2.373) 27.911 14.802 ( -1.063 27.457 -6.849) 28.318 17.594 ( 1.796 -1.101 -3.096) 3.745 18.416 ( 0.794 -9.198 3.115) 9.744 19.079 ( -3.646 11.631 9.111) 15.218 ======================= Grid point 2063 (991/1062) ======================= q-point: ( 0.55 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( 5.116 -11.083 9.422) 15.420 5.278 ( 0.988 7.257 -6.150) 9.563 6.184 ( 1.832 2.107 0.652) 2.867 7.316 ( -2.841 15.105 -7.482) 17.095 7.692 ( 1.146 -9.740 3.668) 10.470 8.173 ( 1.911 -11.345 -1.347) 11.584 8.433 ( 2.378 -3.183 6.877) 7.942 10.489 ( 0.559 -13.752 1.582) 13.854 14.376 ( -0.558 14.216 -3.807) 14.728 17.626 ( 1.428 -2.522 -3.388) 4.459 18.518 ( 0.015 0.373 4.564) 4.580 18.934 ( -1.821 4.942 3.035) 6.078 ======================= Grid point 2064 (992/1062) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( 6.913 -2.605 12.146) 14.217 5.164 ( -0.157 2.990 -2.899) 4.168 6.159 ( 0.451 1.616 0.206) 1.690 6.938 ( -9.234 12.152 -14.546) 21.084 7.695 ( -0.548 10.830 -2.694) 11.173 8.333 ( 0.462 -2.445 7.809) 8.196 8.555 ( 4.876 -3.567 2.715) 6.623 10.601 ( 0.231 2.385 0.182) 2.403 14.284 ( 0.029 -5.817 0.159) 5.819 17.667 ( 0.075 -2.024 -0.595) 2.111 18.489 ( -0.052 3.564 4.264) 5.558 18.865 ( -0.019 2.695 -3.975) 4.802 ======================= Grid point 2065 (993/1062) ======================= q-point: (-0.35 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.843 ( 8.809 8.999 14.600) 19.280 5.119 ( -1.864 1.502 -1.690) 2.930 6.139 ( -0.761 0.248 -0.635) 1.022 6.652 ( -13.668 0.062 -16.709) 21.587 7.310 ( -1.425 26.944 -5.454) 27.528 8.351 ( 1.340 5.342 10.034) 11.446 8.604 ( 3.514 3.129 0.146) 4.707 10.413 ( -0.170 17.591 -0.941) 17.617 14.579 ( 0.647 -24.122 3.528) 24.387 17.681 ( -1.016 1.003 3.087) 3.401 18.433 ( -0.066 5.519 0.970) 5.604 18.811 ( 1.453 -1.290 -8.125) 8.354 ======================= Grid point 2066 (994/1062) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.753 ( 9.894 16.133 17.822) 25.996 4.996 ( -6.032 6.993 -8.555) 12.589 6.121 ( -0.644 2.871 0.984) 3.103 6.545 ( -11.155 4.597 -10.833) 16.215 6.754 ( -4.056 15.296 -8.136) 17.794 8.262 ( 1.475 10.114 8.383) 13.219 8.505 ( 1.517 9.275 -0.151) 9.399 9.970 ( -0.487 29.477 -1.297) 29.509 15.151 ( 1.089 -33.939 5.374) 34.379 17.645 ( -0.902 3.408 3.525) 4.985 18.249 ( -0.516 13.164 -2.493) 13.408 18.911 ( 2.217 -11.590 -7.868) 14.183 ======================= Grid point 2067 (995/1062) ======================= q-point: (-0.25 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( 10.258 18.067 21.125) 29.630 4.700 ( -10.644 10.978 -17.148) 22.976 5.768 ( -1.452 37.762 0.804) 37.798 6.235 ( -0.518 3.305 -5.247) 6.223 6.824 ( -9.567 -15.750 -4.806) 19.044 8.106 ( 1.049 10.154 4.449) 11.135 8.308 ( -0.364 12.552 0.957) 12.594 9.344 ( -0.569 37.371 -0.910) 37.386 15.816 ( 1.124 -32.894 5.722) 33.407 17.590 ( -0.272 2.851 0.796) 2.972 17.985 ( -0.468 11.782 -2.709) 12.099 19.146 ( 1.969 -14.752 -6.168) 16.111 ======================= Grid point 2068 (996/1062) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( 9.850 17.305 23.037) 30.450 4.288 ( -12.466 14.107 -21.247) 28.387 5.030 ( -0.930 39.355 0.028) 39.366 6.186 ( -0.036 1.971 -2.993) 3.584 6.916 ( -4.500 2.133 0.268) 4.987 8.027 ( -0.345 0.090 -0.414) 0.546 8.061 ( -1.924 11.840 2.285) 12.211 8.625 ( -0.515 39.166 -0.044) 39.169 16.311 ( 0.634 -14.701 3.969) 15.240 17.549 ( 0.091 1.189 -2.088) 2.404 17.906 ( -0.009 -7.712 0.035) 7.712 19.388 ( 1.511 -12.310 -4.445) 13.175 ======================= Grid point 2069 (997/1062) ======================= q-point: (-0.15 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 8.192 15.902 21.958) 28.322 3.804 ( -10.478 18.079 -20.584) 29.332 4.370 ( -0.823 31.347 0.071) 31.358 6.075 ( 0.075 11.251 -1.979) 11.424 6.650 ( -0.892 23.261 0.974) 23.299 7.679 ( 0.326 26.849 0.365) 26.853 8.028 ( -1.367 21.964 2.366) 22.133 8.234 ( -1.942 -17.531 -1.602) 17.711 16.364 ( 0.156 8.000 0.951) 8.058 17.551 ( 0.083 -2.466 -1.009) 2.665 18.284 ( 0.325 -30.221 1.041) 30.241 19.552 ( 0.882 -5.931 -2.699) 6.576 ======================= Grid point 2070 (998/1062) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 0.000 13.296 -0.001) 13.296 3.305 ( 0.001 23.339 0.001) 23.339 3.906 ( 0.000 18.298 0.000) 18.298 5.648 ( 0.000 36.974 -0.000) 36.974 6.129 ( 0.000 32.481 -0.000) 32.481 7.276 ( -0.000 12.497 -0.000) 12.497 7.750 ( -0.000 11.232 -0.000) 11.232 8.568 ( -0.000 -19.109 0.000) 19.109 16.132 ( 0.000 16.221 -0.000) 16.221 17.630 ( -0.000 -6.205 -0.000) 6.205 18.908 ( 0.000 -35.640 0.000) 35.640 19.576 ( -0.000 3.371 0.000) 3.371 ======================= Grid point 2076 (999/1062) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 13.453 -0.000 -24.103) 27.603 2.314 ( 3.874 -0.000 -4.360) 5.832 3.536 ( 10.184 -0.000 20.136) 22.565 4.046 ( 0.613 -0.000 0.746) 0.966 4.281 ( 22.426 -0.000 -9.713) 24.439 7.099 ( -4.923 0.000 -12.818) 13.731 7.794 ( -3.909 0.000 7.329) 8.306 10.014 ( 17.672 -0.000 11.596) 21.137 14.931 ( 1.330 -0.000 1.316) 1.871 18.155 ( -3.512 0.000 2.936) 4.578 18.385 ( 0.866 -0.000 -2.346) 2.500 20.465 ( -5.226 0.000 -2.094) 5.630 ======================= Grid point 2077 (1000/1062) ======================= q-point: ( 0.20 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 10.025 -0.742 -22.383) 24.537 2.739 ( 5.520 -40.250 -7.510) 41.315 3.606 ( 4.306 3.559 7.055) 8.999 4.277 ( 3.702 -19.875 8.774) 22.039 4.516 ( 26.608 -7.916 -1.579) 27.805 6.978 ( -7.561 1.818 -11.510) 13.891 7.717 ( 0.704 7.500 1.815) 7.749 10.095 ( 16.731 11.282 10.489) 22.742 15.102 ( 0.582 -15.179 2.031) 15.326 18.067 ( -2.500 5.768 3.690) 7.290 18.606 ( -1.840 -20.069 0.073) 20.153 20.295 ( -5.893 12.115 -2.175) 13.646 ======================= Grid point 2078 (1001/1062) ======================= q-point: ( 0.25 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 7.425 -1.850 -18.986) 20.470 3.366 ( 11.335 -12.372 -17.560) 24.288 3.896 ( -0.957 -43.007 11.424) 44.509 4.803 ( 2.597 -27.862 12.070) 30.474 4.960 ( 26.452 -16.758 3.746) 31.537 6.817 ( -9.220 2.780 -8.881) 13.100 7.619 ( 5.790 4.064 -5.325) 8.854 9.991 ( 15.247 17.249 6.390) 23.892 15.436 ( -0.444 -19.066 1.361) 19.119 17.956 ( -2.090 6.718 4.959) 8.607 18.950 ( -3.854 -15.898 1.404) 16.418 19.957 ( -6.884 17.052 1.048) 18.419 ======================= Grid point 2079 (1002/1062) ======================= q-point: ( 0.30 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 6.789 -5.869 -12.337) 15.256 3.535 ( 9.066 -11.190 -9.992) 17.529 4.866 ( 5.069 -47.495 6.737) 48.237 5.410 ( -0.693 -32.003 8.595) 33.144 5.550 ( 23.638 -23.629 7.303) 34.211 6.682 ( -9.685 -1.438 -7.216) 12.162 7.619 ( 7.202 -2.273 -9.337) 12.009 9.783 ( 13.587 20.240 3.875) 24.684 15.775 ( -0.769 -17.807 0.016) 17.823 17.839 ( -1.642 6.933 5.364) 8.918 18.972 ( -2.044 12.871 -5.139) 14.009 19.715 ( -9.033 2.556 10.092) 13.784 ======================= Grid point 2080 (1003/1062) ======================= q-point: ( 0.35 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 7.367 -9.625 -3.845) 12.715 3.888 ( 7.597 -24.831 -5.789) 26.605 5.605 ( 12.223 -21.071 11.199) 26.810 5.968 ( -1.778 -24.093 -3.248) 24.375 6.218 ( 14.110 -24.176 8.335) 29.207 6.783 ( -8.550 -28.045 -3.492) 29.526 7.726 ( 6.372 -9.006 -10.050) 14.924 9.507 ( 11.981 22.489 2.987) 25.656 16.053 ( -0.886 -12.546 -1.152) 12.630 17.739 ( -1.044 5.256 4.929) 7.281 18.534 ( -1.323 25.860 -5.267) 26.425 19.717 ( -8.010 -0.826 11.788) 14.276 ======================= Grid point 2081 (1004/1062) ======================= q-point: ( 0.40 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 7.904 -10.508 2.825) 13.449 4.493 ( 6.376 -36.699 -2.612) 37.341 5.955 ( 12.412 -1.148 5.777) 13.739 6.159 ( -4.786 -8.172 -1.593) 9.604 6.749 ( 6.861 -25.488 0.889) 26.410 7.447 ( -0.967 -35.343 2.350) 35.434 8.012 ( 4.058 -26.131 -6.731) 27.287 9.180 ( 10.300 24.357 2.757) 26.589 16.143 ( -1.189 2.822 -3.604) 4.729 17.688 ( -0.504 1.932 3.603) 4.119 18.095 ( -0.281 16.575 -1.519) 16.647 19.679 ( -6.267 5.075 10.934) 13.585 ======================= Grid point 2082 (1005/1062) ======================= q-point: ( 0.45 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 7.948 -10.889 7.048) 15.213 5.219 ( 4.937 -34.542 -3.795) 35.098 5.978 ( 4.919 -0.837 -2.483) 5.574 6.292 ( -0.282 -5.651 5.614) 7.971 7.246 ( 5.077 -23.367 -1.315) 23.948 7.877 ( 1.855 -14.393 0.949) 14.543 8.691 ( 2.384 -32.437 0.606) 32.530 8.825 ( 7.238 14.241 1.845) 16.080 15.861 ( -1.376 23.190 -6.458) 24.112 17.651 ( 0.000 3.677 1.285) 3.895 18.008 ( 0.944 -5.867 2.442) 6.425 19.540 ( -4.950 10.456 10.195) 15.420 ======================= Grid point 2083 (1006/1062) ======================= q-point: ( 0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 7.791 -11.892 10.009) 17.387 5.494 ( -0.296 -0.021 -12.566) 12.570 6.223 ( 9.748 -6.141 1.550) 11.625 6.527 ( -3.222 -29.339 8.084) 30.602 7.654 ( 3.232 -18.479 -2.190) 18.887 8.065 ( 2.057 -0.631 -0.744) 2.276 8.428 ( 5.451 18.136 4.397) 19.441 9.498 ( 0.956 -38.585 1.909) 38.644 15.304 ( -1.154 30.803 -6.939) 31.596 17.603 ( 1.107 1.804 -0.562) 2.190 18.223 ( 0.970 -12.862 2.805) 13.200 19.330 ( -4.065 13.247 9.344) 16.713 ======================= Grid point 2084 (1007/1062) ======================= q-point: ( 0.55 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( 7.846 -12.539 12.509) 19.372 5.350 ( -2.006 5.495 -12.813) 14.085 6.265 ( 4.416 3.440 1.393) 5.768 7.205 ( 1.630 -31.972 7.111) 32.794 7.768 ( -1.457 22.506 -4.397) 22.978 7.955 ( 2.667 -12.481 -3.921) 13.352 8.423 ( 3.720 -3.608 7.753) 9.325 10.124 ( 0.748 -27.550 2.166) 27.645 14.729 ( -0.800 26.412 -5.592) 27.009 17.595 ( 1.604 -0.363 -2.310) 2.835 18.454 ( 0.675 -9.171 2.624) 9.562 19.103 ( -3.120 12.184 7.159) 14.472 ======================= Grid point 2085 (1008/1062) ======================= q-point: ( 0.60 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( 8.396 -10.477 14.595) 19.831 5.189 ( -2.543 3.397 -10.502) 11.327 6.228 ( 2.498 3.998 1.354) 4.905 7.187 ( -3.544 25.477 -8.432) 27.069 7.715 ( -0.433 -9.167 0.877) 9.219 8.193 ( 0.934 -13.849 1.209) 13.933 8.553 ( 4.053 -2.977 6.370) 8.116 10.512 ( 0.538 -12.976 1.370) 13.060 14.337 ( -0.415 12.330 -2.958) 12.687 17.618 ( 1.147 -2.170 -2.567) 3.551 18.562 ( 0.077 -0.256 4.482) 4.490 18.928 ( -1.509 6.916 1.295) 7.197 ======================= Grid point 2086 (1009/1062) ======================= q-point: (-0.35 0.15 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( 9.125 -2.604 15.172) 17.895 5.112 ( -1.879 -1.024 -5.174) 5.599 6.172 ( 0.884 4.304 0.558) 4.429 6.658 ( -8.945 18.937 -13.842) 25.105 7.653 ( -1.202 12.996 -2.797) 13.348 8.419 ( 1.370 -5.319 6.584) 8.574 8.644 ( 3.456 -1.121 2.168) 4.231 10.607 ( 0.229 3.342 0.178) 3.355 14.286 ( 0.031 -8.049 0.162) 8.051 17.662 ( 0.073 -2.672 -0.577) 2.735 18.535 ( -0.052 4.576 5.494) 7.151 18.821 ( -0.017 3.935 -5.223) 6.540 ======================= Grid point 2087 (1010/1062) ======================= q-point: (-0.30 0.15 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.128 ( 9.189 7.452 14.644) 18.826 5.084 ( -0.868 5.340 -1.390) 5.586 6.087 ( -4.016 0.255 -5.683) 6.963 6.330 ( -8.683 1.961 -10.051) 13.426 7.247 ( -1.115 27.766 -3.628) 28.025 8.459 ( 1.557 4.995 7.783) 9.378 8.641 ( 1.801 4.404 -1.073) 4.877 10.404 ( -0.096 18.312 -0.595) 18.322 14.615 ( 0.446 -25.952 2.343) 26.061 17.692 ( -0.631 0.098 1.978) 2.079 18.446 ( -0.130 8.537 2.056) 8.782 18.759 ( 1.006 -2.058 -6.733) 7.113 ======================= Grid point 2088 (1011/1062) ======================= q-point: (-0.25 0.15 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.080 ( 9.900 13.211 17.190) 23.834 4.808 ( -6.294 16.964 -10.900) 21.123 6.119 ( -0.302 -2.197 -0.111) 2.221 6.293 ( -8.336 -6.019 -6.724) 12.285 6.664 ( -1.144 26.713 -3.866) 27.016 8.354 ( 1.473 11.039 5.763) 12.540 8.510 ( 0.164 9.579 -1.383) 9.680 9.955 ( -0.266 29.781 -0.687) 29.790 15.204 ( 0.610 -35.131 2.940) 35.259 17.662 ( -0.461 3.513 2.067) 4.102 18.224 ( -0.277 14.488 -1.440) 14.562 18.880 ( 1.166 -12.001 -4.332) 12.812 ======================= Grid point 2089 (1012/1062) ======================= q-point: (-0.20 0.15 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( 11.397 17.087 21.700) 29.879 4.354 ( -11.235 15.556 -20.146) 27.823 5.759 ( -0.455 39.090 0.347) 39.095 6.194 ( -0.250 0.777 -1.953) 2.117 6.688 ( -3.590 -17.938 -1.761) 18.379 8.155 ( 0.846 12.443 1.971) 12.626 8.303 ( -0.540 12.255 -0.020) 12.267 9.332 ( -0.201 37.300 -0.318) 37.302 15.865 ( 0.407 -33.358 2.074) 33.425 17.593 ( -0.086 3.885 0.280) 3.896 17.962 ( -0.164 11.289 -1.001) 11.335 19.127 ( 0.676 -14.862 -2.163) 15.034 ======================= Grid point 2090 (1013/1062) ======================= q-point: (-0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.774 ( 0.000 19.727 0.000) 19.727 3.967 ( 0.000 12.810 -0.000) 12.810 5.023 ( 0.000 39.370 0.000) 39.370 6.172 ( 0.000 1.991 0.000) 1.991 6.880 ( -0.000 -0.365 0.000) 0.365 8.027 ( -0.000 -1.191 0.000) 1.191 8.053 ( -0.000 15.311 -0.000) 15.311 8.621 ( 0.000 39.044 0.000) 39.044 16.336 ( 0.000 -14.181 0.000) 14.181 17.540 ( -0.000 1.448 -0.000) 1.448 17.906 ( 0.000 -8.541 -0.000) 8.541 19.379 ( -0.000 -12.285 0.000) 12.285 ======================= Grid point 2098 (1014/1062) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 10.230 -0.000 -20.177) 22.622 2.335 ( 4.495 -0.000 -4.987) 6.714 3.744 ( 5.392 -0.000 1.522) 5.602 4.063 ( 0.724 -0.000 0.813) 1.089 4.715 ( 32.828 -0.000 5.728) 33.324 6.880 ( -7.783 0.000 -11.795) 14.131 7.808 ( -0.242 0.000 2.520) 2.531 10.400 ( 14.520 -0.000 15.536) 21.265 14.968 ( 1.568 -0.000 1.573) 2.221 18.128 ( -3.658 0.000 3.174) 4.843 18.375 ( 0.996 -0.000 -2.784) 2.957 20.343 ( -6.556 0.000 -4.285) 7.833 ======================= Grid point 2099 (1015/1062) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 9.747 0.352 -16.893) 19.506 2.760 ( 6.220 -39.737 -7.510) 40.916 3.686 ( 3.129 4.292 0.151) 5.314 4.329 ( 0.833 -22.899 0.765) 22.927 5.064 ( 32.272 -6.205 10.437) 34.481 6.748 ( -8.182 1.898 -10.092) 13.130 7.750 ( 3.428 6.480 -1.687) 7.523 10.436 ( 12.655 13.792 12.106) 22.292 15.130 ( 0.614 -14.083 1.902) 14.224 18.063 ( -2.648 4.490 4.091) 6.627 18.577 ( -1.816 -19.162 -0.136) 19.248 20.164 ( -6.833 10.989 -4.456) 13.686 ======================= Grid point 2100 (1016/1062) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 10.004 -1.649 -11.344) 15.214 3.397 ( 12.271 -13.751 -15.131) 23.846 3.964 ( -2.242 -43.682 8.784) 44.613 4.832 ( 0.046 -30.488 0.200) 30.488 5.527 ( 28.249 -12.214 12.915) 33.377 6.599 ( -7.557 2.721 -7.776) 11.180 7.663 ( 6.832 4.481 -6.028) 10.153 10.262 ( 11.534 19.071 6.105) 23.109 15.440 ( -0.445 -17.930 0.940) 17.960 17.970 ( -2.155 6.006 4.975) 8.091 18.907 ( -3.701 -14.808 2.093) 15.407 19.840 ( -7.727 14.423 -1.480) 16.430 ======================= Grid point 2101 (1017/1062) ======================= q-point: ( 0.35 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 10.743 -6.853 -2.808) 13.049 3.595 ( 9.381 -11.457 -8.020) 16.840 4.964 ( 1.684 -53.775 4.568) 53.995 5.408 ( -0.167 -31.939 -1.436) 31.972 6.059 ( 21.762 -18.460 12.734) 31.249 6.474 ( -6.298 0.940 -5.700) 8.547 7.651 ( 7.387 -0.831 -8.138) 11.022 10.001 ( 10.157 20.804 2.793) 23.319 15.762 ( -0.760 -17.232 -0.177) 17.250 17.863 ( -1.655 6.451 5.065) 8.367 18.904 ( -1.504 14.634 -3.507) 15.123 19.649 ( -9.611 -1.619 7.142) 12.083 ======================= Grid point 2102 (1018/1062) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 11.221 -9.923 5.615) 15.997 3.959 ( 7.614 -24.967 -4.579) 26.501 5.811 ( 4.227 -30.715 6.746) 31.730 5.884 ( -1.027 -17.916 -9.021) 20.085 6.484 ( 2.815 -9.230 0.408) 9.659 6.718 ( 7.369 -37.352 8.439) 38.996 7.741 ( 6.292 -7.744 -7.745) 12.631 9.691 ( 8.662 22.347 1.602) 24.020 16.028 ( -0.909 -11.664 -1.042) 11.745 17.767 ( -1.003 5.077 4.414) 6.802 18.474 ( -0.883 24.676 -3.903) 24.999 19.692 ( -7.855 -2.966 9.415) 12.615 ======================= Grid point 2103 (1019/1062) ======================= q-point: ( 0.45 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 11.069 -9.372 10.701) 18.024 4.570 ( 6.486 -36.576 -2.411) 37.225 5.931 ( -5.671 -1.297 -12.072) 13.401 6.243 ( 6.721 -9.780 7.703) 14.148 6.840 ( 3.792 -22.859 -1.012) 23.193 7.527 ( 5.150 -34.145 7.976) 35.440 8.015 ( 3.717 -25.641 -5.396) 26.465 9.334 ( 7.022 24.274 1.202) 25.298 16.094 ( -1.132 4.736 -2.954) 5.695 17.711 ( -0.447 2.551 2.780) 3.800 18.083 ( 0.080 13.485 -0.625) 13.500 19.678 ( -5.761 3.708 8.932) 11.257 ======================= Grid point 2104 (1020/1062) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( 10.518 -9.278 13.233) 19.282 5.241 ( 4.224 -26.074 -7.266) 27.395 5.919 ( -4.476 -14.753 -6.080) 16.572 6.397 ( 5.140 -0.059 5.217) 7.324 7.280 ( 1.175 -22.949 -2.042) 23.070 7.975 ( 6.725 -11.499 5.069) 14.253 8.721 ( 1.044 -40.941 0.678) 40.960 8.934 ( 4.943 21.963 0.426) 22.517 15.787 ( -1.100 24.306 -5.004) 24.840 17.662 ( 0.087 3.548 0.996) 3.686 18.044 ( 0.924 -6.865 2.113) 7.242 19.554 ( -4.268 9.654 8.140) 13.329 ======================= Grid point 2105 (1021/1062) ======================= q-point: ( 0.55 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 10.029 -10.573 14.917) 20.854 5.331 ( -3.130 2.098 -15.928) 16.368 6.368 ( 8.115 -1.952 -0.508) 8.362 6.546 ( -3.190 -36.191 6.807) 36.963 7.652 ( -0.660 -18.142 -1.697) 18.233 8.138 ( 6.562 6.851 1.056) 9.545 8.525 ( 2.348 14.583 3.278) 15.130 9.528 ( 0.815 -38.905 1.613) 38.947 15.232 ( -0.815 30.820 -5.184) 31.263 17.616 ( 0.953 2.022 -0.281) 2.253 18.260 ( 0.805 -12.727 2.063) 12.918 19.350 ( -3.258 12.946 7.058) 15.101 ======================= Grid point 2106 (1022/1062) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.704 ( 9.931 -11.803 16.496) 22.584 5.155 ( -5.193 3.706 -16.110) 17.328 6.341 ( 3.586 4.929 1.047) 6.184 7.282 ( 1.013 -33.585 4.506) 33.901 7.706 ( -1.675 27.186 -2.677) 27.368 7.954 ( 1.586 -10.489 -2.893) 10.996 8.548 ( 3.508 -3.987 5.877) 7.922 10.153 ( 0.606 -27.381 1.679) 27.439 14.674 ( -0.529 25.699 -3.952) 26.006 17.599 ( 1.210 0.257 -1.510) 1.952 18.485 ( 0.490 -9.336 1.904) 9.540 19.117 ( -2.276 12.741 4.884) 13.833 ======================= Grid point 2107 (1023/1062) ======================= q-point: ( 0.65 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.069 ( 10.303 -9.761 17.689) 22.679 5.003 ( -6.148 -0.846 -14.533) 15.802 6.280 ( 2.309 4.748 1.433) 5.471 7.063 ( -3.034 33.673 -6.322) 34.395 7.707 ( -0.678 -7.014 -0.219) 7.050 8.222 ( 0.794 -17.079 1.736) 17.185 8.659 ( 2.939 -2.142 4.149) 5.517 10.530 ( 0.395 -12.397 0.940) 12.439 14.309 ( -0.255 10.998 -1.876) 11.160 17.613 ( 0.742 -1.805 -1.590) 2.517 18.602 ( 0.110 -1.564 3.459) 3.798 18.914 ( -1.027 9.092 0.133) 9.151 ======================= Grid point 2108 (1024/1062) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.322 ( 8.757 0.019 13.987) 16.502 5.005 ( -4.046 -9.815 -7.394) 12.938 6.202 ( 1.766 9.212 1.679) 9.529 6.421 ( -6.644 23.709 -9.808) 26.504 7.615 ( -0.817 13.937 -1.618) 14.054 8.487 ( 1.024 -7.508 3.678) 8.423 8.700 ( 1.716 1.248 1.092) 2.387 10.611 ( 0.141 3.987 0.108) 3.991 14.288 ( 0.020 -9.503 0.102) 9.504 17.659 ( 0.044 -3.040 -0.348) 3.061 18.586 ( -0.035 4.880 5.168) 7.107 18.771 ( -0.007 5.033 -5.009) 7.101 ======================= Grid point 2109 (1025/1062) ======================= q-point: (-0.25 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.354 ( 4.599 5.647 7.111) 10.178 5.066 ( -0.243 8.577 -0.580) 8.600 5.924 ( -4.628 1.227 -6.276) 7.894 6.225 ( -1.146 1.764 -1.036) 2.345 7.211 ( -0.419 28.133 -1.268) 28.165 8.536 ( 0.797 4.246 3.731) 5.708 8.643 ( 0.393 5.743 -1.403) 5.925 10.399 ( -0.032 18.709 -0.204) 18.710 14.635 ( 0.160 -26.951 0.822) 26.964 17.698 ( -0.213 -0.471 0.678) 0.853 18.462 ( -0.079 11.077 1.201) 11.142 18.723 ( 0.378 -3.309 -2.825) 4.367 ======================= Grid point 2110 (1026/1062) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.289 ( 0.000 6.008 0.000) 6.008 4.661 ( 0.000 27.460 -0.000) 27.460 6.111 ( -0.000 -13.137 -0.000) 13.137 6.197 ( 0.000 0.743 0.000) 0.743 6.638 ( -0.000 28.582 0.000) 28.582 8.399 ( -0.000 11.563 -0.000) 11.563 8.498 ( -0.000 9.467 0.000) 9.467 9.949 ( 0.000 29.890 0.000) 29.890 15.223 ( -0.000 -35.568 0.000) 35.568 17.668 ( -0.000 3.520 -0.000) 3.520 18.215 ( 0.000 15.029 0.000) 15.029 18.868 ( -0.000 -12.180 -0.000) 12.180 ======================= Grid point 2120 (1027/1062) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 11.415 -0.000 -13.398) 17.602 2.359 ( 4.658 -0.000 -5.087) 6.898 3.802 ( 5.261 -0.000 -4.785) 7.112 4.083 ( 0.767 -0.000 0.782) 1.095 5.299 ( 30.410 -0.000 9.012) 31.718 6.665 ( -6.088 0.000 -8.576) 10.517 7.834 ( 3.139 -0.000 -1.691) 3.566 10.728 ( 7.873 -0.000 16.085) 17.909 15.008 ( 1.653 -0.000 1.685) 2.360 18.104 ( -3.204 0.000 3.317) 4.612 18.364 ( 1.021 -0.000 -2.960) 3.131 20.187 ( -6.841 0.000 -6.421) 9.382 ======================= Grid point 2121 (1028/1062) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 12.635 0.551 -8.940) 15.488 2.791 ( 6.195 -40.258 -6.588) 41.261 3.727 ( 2.906 3.899 -1.078) 4.981 4.345 ( 1.255 -22.381 -0.617) 22.425 5.611 ( 23.811 -6.359 7.296) 25.703 6.580 ( -1.722 2.238 -4.663) 5.452 7.794 ( 5.728 5.657 -3.962) 8.973 10.696 ( 6.283 14.976 11.118) 19.682 15.156 ( 0.650 -12.709 1.576) 12.822 18.062 ( -2.463 3.479 4.052) 5.881 18.549 ( -1.555 -18.334 -0.101) 18.400 20.006 ( -6.677 10.182 -6.416) 13.763 ======================= Grid point 2122 (1029/1062) ======================= q-point: ( 0.35 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 13.670 -2.439 -2.513) 14.112 3.462 ( 12.203 -14.676 -11.699) 22.387 3.996 ( -3.125 -44.489 6.990) 45.143 4.834 ( 0.985 -29.767 -1.254) 29.809 5.934 ( 8.784 -11.261 1.346) 14.345 6.542 ( 9.234 3.278 3.143) 10.290 7.719 ( 7.518 4.894 -5.931) 10.754 10.453 ( 6.381 19.677 4.698) 21.213 15.441 ( -0.353 -16.860 0.528) 16.872 17.982 ( -2.011 5.414 4.386) 7.251 18.877 ( -3.197 -14.598 3.065) 15.254 19.695 ( -7.427 12.740 -4.039) 15.290 ======================= Grid point 2123 (1030/1062) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 13.936 -8.138 5.622) 17.089 3.673 ( 8.579 -11.211 -5.474) 15.141 5.016 ( 0.473 -56.461 3.166) 56.552 5.393 ( 1.559 -30.056 -3.919) 30.351 6.120 ( -10.326 -12.559 -6.121) 17.373 6.688 ( 22.358 -1.992 11.729) 25.326 7.697 ( 7.128 0.219 -6.251) 9.483 10.146 ( 5.908 20.649 1.369) 21.521 15.749 ( -0.677 -16.736 -0.283) 16.752 17.882 ( -1.510 5.969 4.242) 7.477 18.860 ( -0.839 16.602 -1.955) 16.737 19.556 ( -9.055 -6.105 4.256) 11.721 ======================= Grid point 2124 (1031/1062) ======================= q-point: ( 0.45 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 13.329 -10.005 12.300) 20.714 4.035 ( 6.842 -25.000 -3.376) 26.138 5.731 ( -4.791 -11.298 -10.874) 16.396 5.928 ( 4.555 -33.336 1.791) 33.693 6.392 ( -7.252 -30.023 -0.882) 30.898 7.052 ( 16.563 -17.609 9.822) 26.093 7.781 ( 6.225 -6.869 -4.182) 10.169 9.805 ( 4.964 21.873 0.228) 22.431 16.005 ( -0.839 -10.909 -0.857) 10.975 17.790 ( -0.861 4.905 3.525) 6.101 18.433 ( -0.468 23.763 -2.615) 23.911 19.653 ( -6.816 -5.329 6.830) 11.023 ======================= Grid point 2125 (1032/1062) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( 12.057 -8.269 15.116) 21.029 4.648 ( 6.385 -36.291 -2.304) 36.921 5.692 ( -8.675 -1.969 -13.660) 16.301 6.399 ( 5.740 -11.481 4.926) 13.749 6.845 ( -0.523 -22.881 -2.430) 23.015 7.723 ( 8.014 -33.327 8.952) 35.427 8.031 ( 3.875 -21.690 -3.177) 22.261 9.421 ( 3.684 24.116 -0.164) 24.396 16.053 ( -0.946 6.147 -2.185) 6.592 17.727 ( -0.342 3.148 1.921) 3.704 18.084 ( 0.277 10.981 -0.043) 10.984 19.669 ( -4.639 2.350 6.513) 8.335 ======================= Grid point 2126 (1033/1062) ======================= q-point: ( 0.55 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( 10.719 -8.375 15.714) 20.784 5.203 ( 2.206 -11.350 -11.702) 16.451 5.787 ( -5.853 -31.172 -3.090) 31.867 6.516 ( 5.070 2.660 2.775) 6.362 7.254 ( -1.524 -23.279 -1.910) 23.407 8.152 ( 8.325 -9.245 5.970) 13.800 8.741 ( 0.588 -43.229 1.094) 43.246 8.983 ( 1.918 23.850 -1.150) 23.955 15.733 ( -0.767 25.062 -3.402) 25.303 17.672 ( 0.107 3.277 0.717) 3.356 18.074 ( 0.749 -7.381 1.534) 7.576 19.561 ( -3.137 8.951 5.622) 11.026 ======================= Grid point 2127 (1034/1062) ======================= q-point: ( 0.60 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( 9.720 -10.518 15.874) 21.380 5.114 ( -4.735 4.620 -16.093) 17.400 6.464 ( 5.566 1.800 -1.585) 6.061 6.556 ( -2.537 -41.818 4.897) 42.181 7.619 ( -1.694 -18.061 -0.802) 18.158 8.264 ( 7.395 16.286 1.423) 17.943 8.562 ( -0.653 7.910 1.826) 8.144 9.552 ( 0.568 -39.169 1.089) 39.189 15.182 ( -0.483 30.870 -3.199) 31.039 17.626 ( 0.644 2.127 -0.103) 2.225 18.286 ( 0.537 -12.588 1.258) 12.662 19.362 ( -2.107 12.715 4.372) 13.609 ======================= Grid point 2128 (1035/1062) ======================= q-point: ( 0.65 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.017 ( 9.284 -12.949 16.286) 22.784 4.906 ( -6.548 4.365 -15.870) 17.714 6.392 ( 1.969 5.334 0.490) 5.707 7.319 ( 0.120 -34.559 1.801) 34.607 7.672 ( -0.743 30.259 -0.711) 30.277 7.952 ( 0.887 -8.574 -1.540) 8.756 8.633 ( 1.911 -4.766 3.032) 5.963 10.173 ( 0.346 -27.279 0.924) 27.297 14.639 ( -0.262 25.290 -2.045) 25.374 17.603 ( 0.651 0.671 -0.741) 1.193 18.504 ( 0.257 -9.526 1.003) 9.582 19.124 ( -1.199 13.156 2.465) 13.438 ======================= Grid point 2129 (1036/1062) ======================= q-point: (-0.30 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.403 ( 10.331 -10.004 18.308) 23.281 4.734 ( -8.829 -2.682 -17.145) 19.470 6.318 ( 0.978 4.260 0.644) 4.418 6.987 ( -1.242 38.712 -2.352) 38.803 7.697 ( -0.275 -5.547 -0.191) 5.558 8.243 ( 0.322 -18.848 0.741) 18.865 8.717 ( 1.036 -1.640 1.420) 2.404 10.540 ( 0.146 -12.082 0.336) 12.088 14.294 ( -0.086 10.308 -0.643) 10.329 17.611 ( 0.257 -1.580 -0.538) 1.688 18.627 ( 0.057 -2.838 1.350) 3.143 18.902 ( -0.373 10.790 -0.133) 10.797 ======================= Grid point 2130 (1037/1062) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.489 ( -0.000 5.808 -0.000) 5.808 4.908 ( -0.000 -18.824 0.000) 18.824 6.260 ( -0.002 2.850 -0.002) 2.850 6.285 ( 0.002 34.497 0.003) 34.497 7.601 ( -0.000 14.214 0.000) 14.214 8.513 ( -0.000 -8.433 0.000) 8.433 8.718 ( -0.000 2.286 -0.000) 2.286 10.613 ( 0.000 4.215 0.000) 4.215 14.288 ( -0.000 -10.009 0.000) 10.009 17.658 ( 0.000 -3.158 0.000) 3.158 18.615 ( 0.000 4.697 -0.000) 4.697 18.742 ( 0.000 5.691 0.000) 5.691 ======================= Grid point 2142 (1038/1062) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 14.536 -0.000 -5.331) 15.483 2.384 ( 4.364 -0.000 -4.696) 6.411 3.834 ( 4.824 -0.000 -4.784) 6.794 4.101 ( 0.734 -0.000 0.678) 0.999 5.722 ( 14.153 -0.000 0.549) 14.163 6.612 ( 7.205 -0.000 1.402) 7.340 7.878 ( 6.003 -0.000 -3.861) 7.137 10.931 ( 0.463 -0.000 13.079) 13.087 15.049 ( 1.576 -0.000 1.633) 2.269 18.092 ( -2.429 0.000 3.462) 4.229 18.352 ( 0.948 -0.000 -2.847) 3.000 20.018 ( -6.108 0.000 -7.531) 9.696 ======================= Grid point 2143 (1039/1062) ======================= q-point: ( 0.35 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 15.432 0.189 -1.394) 15.496 2.827 ( 5.553 -41.555 -5.159) 42.241 3.760 ( 2.259 3.931 -0.279) 4.543 4.358 ( 1.391 -21.948 -0.966) 22.013 5.819 ( 1.863 -4.561 -5.422) 7.326 6.715 ( 16.684 1.126 7.951) 18.516 7.856 ( 7.449 5.345 -4.557) 10.238 10.833 ( -0.117 14.444 8.019) 16.521 15.180 ( 0.668 -11.276 1.206) 11.360 18.063 ( -2.013 3.009 3.551) 5.071 18.528 ( -1.210 -17.822 0.237) 17.865 19.844 ( -5.624 9.874 -7.216) 13.460 ======================= Grid point 2144 (1040/1062) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 15.470 -3.689 3.924) 16.381 3.554 ( 11.412 -14.991 -8.119) 20.515 3.999 ( -4.138 -45.506 5.888) 46.072 4.840 ( 1.677 -29.314 -1.930) 29.425 5.859 ( -7.391 -5.864 -8.393) 12.627 6.902 ( 21.300 -0.054 11.407) 24.162 7.785 ( 7.506 5.595 -5.069) 10.646 10.547 ( 1.415 18.887 2.628) 19.121 15.440 ( -0.214 -15.903 0.246) 15.906 17.989 ( -1.671 4.987 3.367) 6.245 18.866 ( -2.482 -15.419 4.096) 16.146 19.541 ( -6.173 12.466 -5.813) 15.076 ======================= Grid point 2145 (1041/1062) ======================= q-point: ( 0.45 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 14.448 -9.683 10.119) 20.122 3.754 ( 6.805 -10.403 -2.925) 12.771 5.040 ( -0.457 -57.456 1.993) 57.492 5.384 ( 3.662 -27.616 -6.566) 28.621 5.878 ( -12.519 -11.784 -5.372) 18.013 7.126 ( 19.318 -0.844 9.964) 21.752 7.754 ( 6.211 0.343 -3.851) 7.316 10.213 ( 2.089 19.821 0.035) 19.931 15.737 ( -0.531 -16.307 -0.284) 16.318 17.895 ( -1.208 5.523 3.100) 6.447 18.840 ( -0.217 19.079 -0.678) 19.092 19.455 ( -7.463 -10.762 1.957) 13.242 ======================= Grid point 2146 (1042/1062) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 12.552 -10.152 14.448) 21.665 4.104 ( 5.378 -25.272 -2.333) 25.943 5.531 ( -6.054 -3.823 -12.627) 14.516 6.005 ( 4.255 -35.589 0.159) 35.842 6.288 ( -6.409 -38.579 1.455) 39.135 7.344 ( 11.558 -9.685 4.534) 15.746 7.860 ( 6.312 -7.425 0.312) 9.750 9.854 ( 1.920 21.234 -0.694) 21.332 15.987 ( -0.654 -10.321 -0.611) 10.359 17.806 ( -0.630 4.747 2.414) 5.363 18.409 ( -0.175 23.127 -1.525) 23.178 19.613 ( -5.011 -7.427 4.350) 9.959 ======================= Grid point 2147 (1043/1062) ======================= q-point: ( 0.55 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 9.954 -7.623 14.408) 19.100 4.727 ( 6.274 -36.653 -1.708) 37.225 5.424 ( -9.515 -0.939 -12.324) 15.598 6.521 ( 5.156 -13.612 3.360) 14.938 6.794 ( -2.789 -22.381 -2.383) 22.679 7.885 ( 4.131 -39.373 3.522) 39.745 8.093 ( 5.262 -12.504 1.406) 13.638 9.452 ( 1.210 24.111 -0.850) 24.156 16.024 ( -0.634 7.058 -1.341) 7.212 17.737 ( -0.210 3.560 1.115) 3.737 18.089 ( 0.274 9.273 0.165) 9.279 19.658 ( -3.009 1.272 3.929) 5.109 ======================= Grid point 2148 (1044/1062) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( 7.477 -8.645 12.166) 16.693 5.102 ( -0.353 2.654 -11.122) 11.440 5.699 ( -3.315 -44.663 -0.211) 44.786 6.601 ( 3.222 4.621 1.153) 5.750 7.212 ( -1.706 -24.312 -1.043) 24.394 8.314 ( 5.688 -8.998 3.860) 11.323 8.761 ( 0.411 -45.048 1.319) 45.070 8.980 ( -0.098 26.468 -1.784) 26.529 15.700 ( -0.395 25.492 -1.720) 25.553 17.678 ( 0.069 3.046 0.383) 3.071 18.095 ( 0.422 -7.612 0.804) 7.666 19.563 ( -1.662 8.471 2.860) 9.094 ======================= Grid point 2149 (1045/1062) ======================= q-point: ( 0.65 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.898 ( 4.812 -12.172 8.444) 15.577 4.922 ( -2.984 7.538 -8.449) 11.710 6.512 ( 2.144 5.514 -1.013) 6.003 6.560 ( -1.118 -46.185 2.013) 46.242 7.594 ( -0.765 -18.257 -0.197) 18.274 8.371 ( 4.114 29.405 0.695) 29.700 8.549 ( -1.677 -3.802 0.488) 4.184 9.565 ( 0.206 -39.326 0.386) 39.329 15.157 ( -0.160 30.906 -1.081) 30.926 17.633 ( 0.227 2.166 -0.022) 2.178 18.300 ( 0.189 -12.500 0.423) 12.508 19.367 ( -0.729 12.587 1.478) 12.694 ======================= Grid point 2150 (1046/1062) ======================= q-point: ( 0.70 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.206 ( -0.000 -16.636 0.001) 16.636 4.741 ( -0.001 7.920 -0.001) 7.920 6.410 ( -0.001 5.384 0.000) 5.384 7.327 ( -0.000 -34.279 0.000) 34.279 7.664 ( -0.001 30.689 -0.000) 30.689 7.952 ( -0.000 -7.812 -0.000) 7.812 8.663 ( -0.001 -5.099 0.000) 5.099 10.180 ( -0.000 -27.244 -0.000) 27.244 14.628 ( -0.000 25.157 0.000) 25.157 17.605 ( -0.000 0.817 -0.000) 0.817 18.511 ( -0.000 -9.608 0.000) 9.608 19.127 ( -0.000 13.309 0.000) 13.309 ======================= Grid point 2164 (1047/1062) ======================= q-point: ( 0.35 0.35 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 16.120 -0.000 0.589) 16.131 2.406 ( 3.661 -0.000 -3.890) 5.342 3.865 ( 3.586 -0.000 -2.526) 4.386 4.118 ( 0.629 -0.000 0.527) 0.821 5.745 ( -2.315 0.000 -8.332) 8.648 6.907 ( 19.305 -0.000 9.855) 21.675 7.951 ( 8.035 -0.000 -3.822) 8.898 10.991 ( -5.292 0.000 8.229) 9.783 15.087 ( 1.343 -0.000 1.413) 1.949 18.093 ( -1.640 0.000 3.404) 3.778 18.340 ( 0.788 -0.000 -2.446) 2.570 19.863 ( -4.771 0.000 -7.205) 8.642 ======================= Grid point 2165 (1048/1062) ======================= q-point: ( 0.40 0.35 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 15.298 -0.764 2.679) 15.549 2.864 ( 4.430 -42.858 -3.606) 43.237 3.794 ( 1.437 4.308 1.422) 4.759 4.370 ( 1.264 -21.718 -0.963) 21.776 5.696 ( -5.611 -2.219 -9.123) 10.938 7.108 ( 19.163 -0.415 10.366) 21.791 7.941 ( 8.246 5.913 -3.549) 10.750 10.850 ( -4.556 12.647 4.247) 14.098 15.199 ( 0.609 -10.023 0.863) 10.079 18.065 ( -1.425 3.076 2.681) 4.322 18.516 ( -0.876 -17.725 0.639) 17.758 19.702 ( -4.104 10.005 -6.558) 12.647 ======================= Grid point 2166 (1049/1062) ======================= q-point: ( 0.45 0.35 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 13.774 -5.251 5.952) 15.898 3.661 ( 10.098 -14.078 -5.064) 18.051 3.979 ( -5.134 -47.175 5.335) 47.753 4.850 ( 2.081 -29.341 -2.115) 29.490 5.647 ( -8.476 -3.004 -8.391) 12.299 7.312 ( 17.201 -0.760 9.771) 19.798 7.854 ( 6.449 7.003 -3.616) 10.184 10.556 ( -1.801 17.129 0.726) 17.239 15.439 ( -0.091 -15.118 0.102) 15.119 17.993 ( -1.181 4.724 2.189) 5.339 18.876 ( -1.655 -17.577 4.614) 18.247 19.401 ( -4.353 13.978 -6.213) 15.904 ======================= Grid point 2167 (1050/1062) ======================= q-point: ( 0.50 0.35 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 11.385 -11.760 9.510) 18.930 3.824 ( 4.308 -9.102 -0.847) 10.106 5.041 ( -1.082 -55.567 0.739) 55.583 5.386 ( 6.177 -24.319 -9.331) 26.770 5.652 ( -12.371 -16.117 -0.482) 20.323 7.452 ( 12.539 3.531 5.697) 14.218 7.815 ( 4.624 -1.491 -1.135) 4.989 10.222 ( -0.168 18.676 -0.660) 18.689 15.728 ( -0.337 -15.969 -0.202) 15.974 17.903 ( -0.777 5.172 1.848) 5.547 18.838 ( 0.165 22.042 0.066) 22.043 19.368 ( -4.991 -15.274 0.546) 16.078 ======================= Grid point 2168 (1051/1062) ======================= q-point: ( 0.55 0.35 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 8.083 -10.498 10.511) 16.912 4.155 ( 3.189 -26.155 -1.273) 26.379 5.335 ( -4.874 0.906 -9.155) 10.411 6.065 ( 3.970 -35.737 -1.001) 35.970 6.217 ( -4.945 -43.053 2.075) 43.386 7.494 ( 5.159 -4.612 0.675) 6.953 7.966 ( 4.662 -8.773 2.194) 10.174 9.862 ( 0.299 20.689 -0.756) 20.705 15.974 ( -0.360 -9.941 -0.319) 9.953 17.816 ( -0.331 4.633 1.216) 4.801 18.397 ( -0.036 22.762 -0.678) 22.772 19.582 ( -2.650 -8.860 2.092) 9.482 ======================= Grid point 2169 (1052/1062) ======================= q-point: ( 0.60 0.35 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( 4.056 -7.585 6.411) 10.728 4.808 ( 4.322 -40.529 -0.055) 40.759 5.201 ( -5.978 3.696 -6.074) 9.289 6.625 ( 4.610 -14.173 2.493) 15.111 6.719 ( -3.901 -22.411 -2.218) 22.856 7.933 ( 0.886 -40.501 0.275) 40.511 8.182 ( 2.653 -10.197 1.645) 10.664 9.454 ( 0.142 24.263 -0.483) 24.269 16.009 ( -0.223 7.500 -0.452) 7.517 17.741 ( -0.070 3.756 0.365) 3.775 18.093 ( 0.111 8.424 0.090) 8.426 19.650 ( -1.042 0.679 1.309) 1.806 ======================= Grid point 2170 (1053/1062) ======================= q-point: ( 0.65 0.35 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.739 ( -0.001 -9.292 -0.000) 9.292 5.036 ( -0.001 7.610 -0.000) 7.610 5.674 ( -0.000 -48.802 -0.000) 48.802 6.632 ( -0.001 5.604 -0.000) 5.604 7.192 ( -0.000 -25.022 0.000) 25.022 8.380 ( -0.001 -9.712 -0.000) 9.712 8.772 ( -0.000 -46.741 0.000) 46.741 8.966 ( -0.001 29.194 -0.000) 29.194 15.689 ( -0.000 25.631 -0.000) 25.631 17.681 ( -0.000 2.959 0.000) 2.959 18.102 ( -0.000 -7.676 -0.000) 7.676 19.564 ( -0.000 8.301 0.000) 8.301 ======================= Grid point 2186 (1054/1062) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 2.631 -0.000 -2.768) 3.819 2.632 ( 14.162 -0.000 2.578) 14.395 3.899 ( 2.145 -0.000 0.248) 2.160 4.130 ( 0.460 -0.000 0.355) 0.581 5.595 ( -4.987 0.000 -8.761) 10.080 7.284 ( 15.996 -0.000 8.572) 18.148 8.056 ( 8.781 -0.000 -1.984) 9.003 10.939 ( -7.717 0.000 3.665) 8.543 15.117 ( 0.977 -0.000 1.041) 1.427 18.102 ( -0.984 0.000 2.835) 3.001 18.331 ( 0.563 -0.000 -1.792) 1.878 19.740 ( -3.204 0.000 -5.586) 6.439 ======================= Grid point 2187 (1055/1062) ======================= q-point: ( 0.45 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 11.215 -3.818 2.988) 12.218 2.895 ( 2.975 -41.802 -2.258) 41.968 3.832 ( 0.859 4.578 2.738) 5.403 4.379 ( 0.907 -21.687 -0.726) 21.718 5.526 ( -5.223 -0.735 -7.583) 9.237 7.443 ( 12.507 -1.475 6.932) 14.376 8.042 ( 7.536 7.457 -1.391) 10.692 10.792 ( -5.532 10.480 1.337) 11.925 15.214 ( 0.434 -9.124 0.531) 9.150 18.068 ( -0.823 3.405 1.626) 3.862 18.511 ( -0.548 -17.913 0.726) 17.936 19.598 ( -2.448 10.347 -4.576) 11.576 ======================= Grid point 2188 (1056/1062) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 8.286 -6.757 3.992) 11.413 3.765 ( 7.917 -10.011 -3.336) 13.192 3.943 ( -5.405 -51.493 4.718) 51.990 4.864 ( 1.776 -30.037 -1.511) 30.128 5.465 ( -5.835 -0.683 -5.380) 7.965 7.593 ( 9.149 -1.829 5.446) 10.804 7.913 ( 4.155 9.486 -1.709) 10.496 10.523 ( -2.156 15.312 -0.182) 15.464 15.439 ( -0.022 -14.594 0.038) 14.594 17.994 ( -0.606 4.592 1.054) 4.750 18.897 ( -0.791 -21.161 3.567) 21.475 19.297 ( -2.264 17.265 -4.488) 17.982 ======================= Grid point 2189 (1057/1062) ======================= q-point: ( 0.55 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 4.468 -13.760 3.934) 14.993 3.867 ( 1.462 -7.862 0.051) 7.997 5.027 ( -0.666 -51.273 -0.094) 51.277 5.405 ( 7.214 -16.815 -8.926) 20.358 5.500 ( -9.443 -27.159 5.118) 29.206 7.614 ( 4.105 8.228 1.391) 9.300 7.867 ( 2.000 -4.560 0.327) 4.990 10.209 ( -0.392 17.831 -0.390) 17.839 15.723 ( -0.115 -15.776 -0.072) 15.777 17.906 ( -0.268 4.979 0.609) 5.023 18.842 ( 0.138 24.472 0.138) 24.473 19.316 ( -1.780 -18.495 0.040) 18.581 ======================= Grid point 2190 (1058/1062) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( -0.001 -10.701 -0.000) 10.701 4.175 ( -0.000 -26.921 -0.000) 26.921 5.247 ( -0.000 2.892 0.000) 2.892 6.098 ( -0.000 -33.725 0.000) 33.725 6.182 ( -0.000 -46.352 -0.000) 46.352 7.535 ( -0.001 -2.966 0.000) 2.966 8.017 ( -0.001 -9.210 -0.000) 9.210 9.859 ( -0.000 20.478 0.000) 20.478 15.970 ( -0.000 -9.810 -0.000) 9.810 17.819 ( -0.000 4.591 0.000) 4.591 18.394 ( -0.000 22.644 0.000) 22.644 19.571 ( -0.000 -9.368 0.000) 9.368 ======================= Grid point 2208 (1059/1062) ======================= q-point: ( 0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 1.373 -0.000 -1.436) 1.987 2.833 ( 8.367 -0.000 1.679) 8.533 3.934 ( 0.992 -0.000 1.518) 1.813 4.138 ( 0.243 -0.000 0.178) 0.301 5.457 ( -3.374 0.000 -5.646) 6.577 7.533 ( 7.991 -0.000 4.149) 9.004 8.173 ( 6.596 -0.000 0.040) 6.596 10.848 ( -5.753 0.000 0.897) 5.823 15.136 ( 0.514 -0.000 0.552) 0.754 18.113 ( -0.459 0.000 1.635) 1.698 18.325 ( 0.292 -0.000 -0.947) 0.991 19.662 ( -1.596 0.000 -3.038) 3.431 ======================= Grid point 2209 (1060/1062) ======================= q-point: ( 0.50 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 3.862 -23.222 1.589) 23.594 2.912 ( 1.297 -23.446 -1.259) 23.516 3.865 ( 0.359 4.523 1.573) 4.802 4.384 ( 0.338 -21.762 -0.278) 21.766 5.414 ( -2.110 0.193 -3.050) 3.714 7.614 ( 4.013 -2.235 2.149) 5.071 8.128 ( 3.397 8.875 0.011) 9.503 10.730 ( -2.509 8.969 0.131) 9.315 15.222 ( 0.158 -8.663 0.181) 8.666 18.070 ( -0.265 3.669 0.539) 3.718 18.511 ( -0.190 -18.116 0.322) 18.120 19.543 ( -0.808 10.621 -1.643) 10.777 ======================= Grid point 2210 (1061/1062) ======================= q-point: ( 0.55 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -0.000 -7.389 -0.000) 7.389 3.821 ( -0.000 0.602 -0.000) 0.602 3.914 ( -0.001 -62.168 -0.000) 62.168 4.872 ( -0.000 -30.714 -0.000) 30.714 5.390 ( -0.000 0.601 0.000) 0.601 7.689 ( -0.001 -2.882 -0.000) 2.882 7.940 ( -0.000 11.192 0.000) 11.192 10.503 ( -0.000 14.524 0.000) 14.524 15.439 ( -0.000 -14.408 -0.000) 14.408 17.995 ( -0.000 4.553 0.000) 4.553 18.909 ( -0.000 -23.598 0.000) 23.598 19.256 ( -0.000 19.621 -0.000) 19.621 ======================= Grid point 2231 (1062/1062) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 0.000 -0.000 0.001) 0.001 2.908 ( 0.000 -0.000 -0.000) 0.000 3.950 ( 0.000 -0.000 0.000) 0.000 4.141 ( 0.000 -0.000 -0.000) 0.000 5.402 ( 0.001 -0.000 -0.000) 0.001 7.613 ( 0.001 -0.000 -0.000) 0.001 8.230 ( 0.000 -0.000 0.000) 0.000 10.803 ( 0.001 -0.000 0.000) 0.001 15.142 ( 0.000 -0.000 -0.000) 0.000 18.117 ( 0.000 -0.000 0.000) 0.000 18.322 ( 0.000 -0.000 -0.000) 0.000 19.635 ( 0.000 -0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/48000 10.0 899.798 563.290 991.690 0.000 -86.425 -0.000 3/48000 20.0 352.488 463.399 430.040 0.000 -44.465 -0.000 3/48000 30.0 180.838 436.790 244.778 0.000 -28.317 -0.000 3/48000 40.0 103.982 333.034 150.733 0.000 -17.740 -0.000 3/48000 50.0 65.645 246.502 98.388 0.000 -11.433 0.000 3/48000 60.0 45.345 190.436 68.988 0.000 -7.775 0.000 3/48000 70.0 33.752 154.665 51.674 0.000 -5.583 0.000 3/48000 80.0 26.599 130.773 40.804 0.000 -4.202 0.000 3/48000 90.0 21.870 113.890 33.548 0.000 -3.290 0.000 3/48000 100.0 18.560 101.324 28.439 0.000 -2.660 0.000 3/48000 110.0 16.130 91.563 24.680 0.000 -2.208 0.000 3/48000 120.0 14.278 83.717 21.810 0.000 -1.874 0.000 3/48000 130.0 12.820 77.240 19.554 0.000 -1.619 0.000 3/48000 140.0 11.645 71.782 17.737 0.000 -1.421 0.000 3/48000 150.0 10.676 67.107 16.243 0.000 -1.263 0.000 3/48000 160.0 9.865 63.048 14.993 0.000 -1.135 0.000 3/48000 170.0 9.174 59.486 13.933 0.000 -1.030 0.000 3/48000 180.0 8.580 56.331 13.021 0.000 -0.942 0.000 3/48000 190.0 8.062 53.515 12.229 0.000 -0.868 0.000 3/48000 200.0 7.606 50.982 11.534 0.000 -0.804 0.000 3/48000 210.0 7.203 48.692 10.919 0.000 -0.749 0.000 3/48000 220.0 6.842 46.609 10.372 0.000 -0.701 0.000 3/48000 230.0 6.518 44.706 9.880 0.000 -0.659 0.000 3/48000 240.0 6.226 42.958 9.436 0.000 -0.621 0.000 3/48000 250.0 5.959 41.348 9.032 0.000 -0.588 0.000 3/48000 260.0 5.716 39.859 8.664 0.000 -0.558 0.000 3/48000 270.0 5.493 38.477 8.327 0.000 -0.532 0.000 3/48000 280.0 5.288 37.190 8.016 0.000 -0.507 0.000 3/48000 290.0 5.098 35.989 7.730 0.000 -0.485 0.000 3/48000 300.0 4.921 34.865 7.464 0.000 -0.465 0.000 3/48000 310.0 4.758 33.811 7.216 0.000 -0.447 0.000 3/48000 320.0 4.605 32.820 6.986 0.000 -0.429 0.000 3/48000 330.0 4.462 31.886 6.770 0.000 -0.414 0.000 3/48000 340.0 4.328 31.005 6.568 0.000 -0.399 0.000 3/48000 350.0 4.202 30.171 6.378 0.000 -0.386 0.000 3/48000 360.0 4.083 29.382 6.199 0.000 -0.373 0.000 3/48000 370.0 3.971 28.634 6.030 0.000 -0.361 0.000 3/48000 380.0 3.865 27.922 5.870 0.000 -0.350 0.000 3/48000 390.0 3.765 27.246 5.719 0.000 -0.340 0.000 3/48000 400.0 3.670 26.602 5.576 0.000 -0.330 0.000 3/48000 410.0 3.580 25.987 5.440 0.000 -0.321 0.000 3/48000 420.0 3.494 25.401 5.310 0.000 -0.312 0.000 3/48000 430.0 3.413 24.840 5.187 0.000 -0.304 0.000 3/48000 440.0 3.335 24.303 5.069 0.000 -0.296 0.000 3/48000 450.0 3.260 23.790 4.957 0.000 -0.289 0.000 3/48000 460.0 3.189 23.297 4.850 0.000 -0.282 0.000 3/48000 470.0 3.121 22.824 4.747 0.000 -0.275 0.000 3/48000 480.0 3.056 22.371 4.649 0.000 -0.269 0.000 3/48000 490.0 2.994 21.934 4.555 0.000 -0.263 0.000 3/48000 500.0 2.934 21.515 4.464 0.000 -0.257 0.000 3/48000 510.0 2.876 21.111 4.377 0.000 -0.252 0.000 3/48000 520.0 2.821 20.722 4.293 0.000 -0.246 0.000 3/48000 530.0 2.768 20.347 4.213 0.000 -0.241 0.000 3/48000 540.0 2.717 19.985 4.136 0.000 -0.236 0.000 3/48000 550.0 2.668 19.636 4.061 0.000 -0.232 0.000 3/48000 560.0 2.620 19.299 3.989 0.000 -0.227 0.000 3/48000 570.0 2.574 18.973 3.920 0.000 -0.223 0.000 3/48000 580.0 2.530 18.658 3.853 0.000 -0.219 0.000 3/48000 590.0 2.487 18.353 3.788 0.000 -0.215 0.000 3/48000 600.0 2.446 18.058 3.725 0.000 -0.211 0.000 3/48000 610.0 2.406 17.772 3.665 0.000 -0.207 0.000 3/48000 620.0 2.367 17.495 3.606 0.000 -0.204 0.000 3/48000 630.0 2.330 17.226 3.549 0.000 -0.201 0.000 3/48000 640.0 2.293 16.966 3.494 0.000 -0.197 0.000 3/48000 650.0 2.258 16.713 3.441 0.000 -0.194 0.000 3/48000 660.0 2.224 16.468 3.389 0.000 -0.191 0.000 3/48000 670.0 2.191 16.229 3.339 0.000 -0.188 0.000 3/48000 680.0 2.159 15.998 3.291 0.000 -0.185 0.000 3/48000 690.0 2.128 15.773 3.243 0.000 -0.182 0.000 3/48000 700.0 2.098 15.554 3.197 0.000 -0.179 0.000 3/48000 710.0 2.068 15.341 3.153 0.000 -0.177 0.000 3/48000 720.0 2.040 15.134 3.109 0.000 -0.174 0.000 3/48000 730.0 2.012 14.932 3.067 0.000 -0.172 0.000 3/48000 740.0 1.985 14.736 3.026 0.000 -0.169 0.000 3/48000 750.0 1.958 14.544 2.986 0.000 -0.167 0.000 3/48000 760.0 1.933 14.358 2.947 0.000 -0.165 0.000 3/48000 770.0 1.908 14.176 2.909 0.000 -0.162 0.000 3/48000 780.0 1.883 13.999 2.872 0.000 -0.160 0.000 3/48000 790.0 1.860 13.826 2.836 0.000 -0.158 0.000 3/48000 800.0 1.836 13.657 2.801 0.000 -0.156 0.000 3/48000 810.0 1.814 13.493 2.766 0.000 -0.154 0.000 3/48000 820.0 1.792 13.332 2.733 0.000 -0.152 0.000 3/48000 830.0 1.770 13.175 2.700 0.000 -0.150 0.000 3/48000 840.0 1.749 13.021 2.668 0.000 -0.148 0.000 3/48000 850.0 1.729 12.872 2.637 0.000 -0.147 0.000 3/48000 860.0 1.709 12.725 2.607 0.000 -0.145 0.000 3/48000 870.0 1.689 12.582 2.577 0.000 -0.143 0.000 3/48000 880.0 1.670 12.442 2.548 0.000 -0.142 0.000 3/48000 890.0 1.651 12.305 2.520 0.000 -0.140 0.000 3/48000 900.0 1.633 12.171 2.492 0.000 -0.138 0.000 3/48000 910.0 1.615 12.040 2.465 0.000 -0.137 0.000 3/48000 920.0 1.598 11.912 2.438 0.000 -0.135 0.000 3/48000 930.0 1.581 11.786 2.412 0.000 -0.134 0.000 3/48000 940.0 1.564 11.663 2.386 0.000 -0.132 0.000 3/48000 950.0 1.547 11.543 2.362 0.000 -0.131 0.000 3/48000 960.0 1.531 11.425 2.337 0.000 -0.129 0.000 3/48000 970.0 1.516 11.309 2.313 0.000 -0.128 0.000 3/48000 980.0 1.500 11.196 2.290 0.000 -0.127 0.000 3/48000 990.0 1.485 11.085 2.267 0.000 -0.125 0.000 3/48000 1000.0 1.470 10.976 2.244 0.000 -0.124 0.000 3/48000 Thermal conductivity related properties were written into "kappa-m202010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:18:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|