================================================================================================================================================================ Input file: /Users/danielpozsar/Downloads/nojij/Fe3GeTe2/monolayer/soc/lat3_791/Fe3GeTe2.fdf Output file: ./Fe3GeTe2_benchmark_on_15k_300eset_orb_test.pickle Number of nodes in the parallel cluster: 1 ================================================================================================================================================================ Cell [Ang]: [[ 3.79100000e+00 0.00000000e+00 0.00000000e+00] [-1.89550000e+00 3.28310231e+00 0.00000000e+00] [ 1.25954923e-15 2.18160327e-15 2.05700000e+01]] ================================================================================================================================================================ DFT axis: [0 0 1] Quantization axis and perpendicular rotation directions: [1 0 0] --» [array([0, 1, 0]), array([0, 0, 1])] [0 1 0] --» [array([1, 0, 0]), array([0, 0, 1])] [0 0 1] --» [array([1, 0, 0]), array([0, 1, 0])] ================================================================================================================================================================ Parameters for the contour integral: Number of k points: 15 k point directions: xy Ebot: -13 Eset: 300 Esetp: 1000 ================================================================================================================================================================ Setup done. Elapsed time: 1.162749041 s ================================================================================================================================================================ Hamiltonian and exchange field rotated. Elapsed time: 1.565606958 s ================================================================================================================================================================ Site and pair dictionaries created. Elapsed time: 1.599692791 s ================================================================================================================================================================