ttmult.inp

dat Ni2+2P3DXAS        Ion and Edge
rpd 80.0             pd reduction factor (%)
rdd 80.0             dd reduction factor (%)
dq    0.9              10Dq crystal field value (eV)
ds    0.1              Ds    (eV)
dt    0.0              Dt    (eV)
sz    5.0              Exchange field (meV)
lor   0.2              Lorentzian [hwhm] (eV)
gau   0.2              Gaussian [hwhm] (eV)
tem 77.0              Temperature (K)
end

File Structure

The first three characters indicate the type of information given.
The order of the lines can be chosen at will.

The term 'end' implies the end of the file to be read.
The term 'dat' defines the name of the datafile. The datafile names are defined as follows:
Character 1 and 2: Element
Character 3 and 4: Valence
Character 5 and 6: Initial state electron shell
Character 7 and 8: Final state electron shell
Characters 9 to 11: Experiment (at the moment only XAS is possible)
Ni2+2P3DXAS calculates the 2p3d x-ray absorption spectrum of a Ni2+ ion.