INPUT file example for a XAS calculation

new	XAS
atom	Dy
ground_state	3d10	4f9	# define two shells as open for core hole state
# ___________	_____	_____	# end of mandatory inputs

				# begin optional inputs, strongly recommended
scaler_coulomb	0.8			# scale first principles matrix elements el-el interaction, for screening
scaler_xtal_field	1.2			# scale Xtal field charges to parametrize the ligand field
scaler_so_coupling	0.96			# scale first principles matrix elements for S-O coupling for screening
threshold_corr	+27.0			# [eV] adjust Xray threshold energy
core_hole_broad	0.6			# [eV] define core hole lifetime, Lorentzian
polar_in	0.866	0	0.5	# define linear polarization direction of incoming Xray

begin_xtal				# define ligand field effect by point charges
1.00				# scale 1 for Angstrom as length units
0.00	0.00	2.032	-1.5	# X Y Z Q
1.74	0.00	3.090	2.8	# structural parameters XYZ imply site symmetry and orientation
-1.74	0.00	-3.090	2.8	# charge parameter Q simulates ligand and Xtal field
end_xtal