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


ScfXcfOrientation  [ 0   0   1 ] # comment test
 # comment test
%block XCF_Rotation # comment test
    1   0   0   0   1   0   0   0   1 # comment test
    0   1   0   1   0   0   0   0   1 # comment test
    0   0   1   1   0   0   0   1   0 # comment test
%endblock XCFRotation # comment test

%block MagneticEntities  # comment test
Cluster 4 5                   # this is a list of atoms
AtomShell 3 2                 # this is one atom and shell index
AtomShell 4 2 3               # this is one atom and shell index
AtomShell 5 2                 # this is one atom and shell index

AtomOrbital 3 7 2 4           # this is one atom and orbital index
Orbitals 2 1 4 9              # 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 # comment test
    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 # comment test
%endblock Pairs

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

GREEN.ParallelSolver False # comment test
PadawanMode True # comment test