XSPH: Cross-section and Phase Shifts

Relativistic dipole matrix elements (alpha form) are calculated using atomic core and normalized continuum wave functions. Polarization dependence is optionally incorporated in the dipole-operator. Scattering phase shifts are determined by matching at the muffin-tin radius.

FEFF is designed to calculate absorption from completely filled shells. You can try to simulate absorption from valence electrons with FEFF, but you may get unreliable results. If you encounter difficulties and need valence shell absorption, please contact the authors.

The $\ell $-projected density of states used to be calculated in this module. This is now done in a separate part of the code, but the LDOS card is still described in this section for the sake of simplicity. This calculation is of limited quality due to finite cluster calculations and neglect of nonspherical corrections.