InputFile /Users/danielpozsar/Downloads/nojij/Fe3GeTe2/monolayer/soc/lat3_791/Fe3GeTe2.fdf OutputFile ./Fe3GeTe2_notebook ScfXcfOrientation [ 0 0 1 ] %block XCF_Rotation 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 1 0 0 1 1 0 0 0 1 0 %endblock XCFRotation %block MagneticEntities Cluster 4 5 # this is a list of atoms AtomShell 3 2 # this is one atom and shell index AtomShell 4 2 # this is one atom and shell index AtomShell 5 2 # this is one atom and shell index AtomOrbital 3 # this is one atom and orbital index ExplicitOrbital # this is a slice of orbital index %endblock MagneticEntities %block Pairs # MagneticEntities index ai and aj, supercell offset 0 1 0 0 0 0 2 0 0 0 1 2 0 0 0 0 2 -1 -1 0 1 2 -1 -1 0 0 2 -1 0 0 1 2 -1 0 0 1 2 -2 0 0 1 2 -3 0 0 %endblock Pairs INTEGRAL.Kset 3 INTEGRAL.Kdirs xy INTEGRAL.Ebot -13 INTEGRAL.Eset 300 INTEGRAL.Esetp 1000 GREEN.ParallelSolver False PadawanMode True