InputFile       /Users/danielpozsar/Downloads/nojij/Fe3GeTe2/monolayer/soc/lat3_791/Fe3GeTe2.fdf
OutputFile      ./Fe3GeTe2_notebook


ScfOrientation  [ 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 MagneticEntites # atom index and orbital index
    3   2
    4   2
    5   2
%endblock MagneticEntites

%block MagneticEntites 
Claster 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 MagneticEntites



%Pairsblock # MagneticEntites 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
%endPairsblock

INTEGRAL.Kset       3
INTEGRAL.Kdirs      xy
INTEGRAL.Ebot       -13
INTEGRAL.Eset       300
INTEGRAL.Esetp      1000