InputFile       /Users/danielpozsar/Downloads/nojij/Fe3GeTe2/monolayer/soc/lat3_791/Fe3GeTe2.fdf # comment test
OutputFile      ./Fe3GeTe2_fdf_test # 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
AtomShell 3 2
AtomShell 4 2
AtomShell 5 2
%endblock MagneticEntities

# Cluster 4 5                   # this is a list of atoms
# Atom 3                        # this MUST BE one atom else error
# AtomShell 3 2                 # this is one atom and its shell sub-index
# AtomShell 4 1 2               # this is one atom and its shell sub-index
# AtomShell 5 2                 # this is one atom and its shell sub-index
# AtomOrbital 3 7 2 4           # this is one atom and its orbital sub-index
# Orbitals 2 1 4 9              # this is a slice of orbital index


%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       10
INTEGRAL.Kdirs      xy
INTEGRAL.Ebot       None # comment test
INTEGRAL.Eset       600 # comment test
INTEGRAL.Esetp      1000 # comment test

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