- initxspec
- This program generates the appropriate input file
case.int, according to the dipole selection rule, for the
subsequent execution of the tetra program.
The program initxspec is executed by invoking the command:
initxspec xspec.def or x initxspec
[-up|-dn]
- tetra
- The appropriate densities of states for (L+1) and (L-1)
states respectively are generated by execution of the tetra
program.
The program tetra is executed by invoking the command:
tetra tetra.def or x tetra [-up|-dn]
- txspec
- This program calculates energy dependent dipole matrix
elements. Theoretical X-ray spectra are generated using the partial
densities of states (in the case.dos1ev file) and multiplying
them with the corresponding dipole matrix elements.
The program txspec is executed by invoking the command:
txspec xspec.def or x txspec [-up|-dn]
- lorentz
- The calculated spectra must be convoluted to account
for lifetime broadening and for a finite resolution of the
spectrometer before they can be compared with experimental spectra.
In the lorentz program a Lorentzian is used to achieve this
broadening.
The program lorentz is executed by invoking the command:
lorentz xspec.def or x lorentz [-up|-dn]