[Wien] crystal field parameters ?

Dear Susanta, there are no standard outputs for crystal field parameters neither in WIEN2k nor in any other ab-initio package. The approach depends on whether you are interested in RE, 3d or actinides. You can learn more from S.V. Streltsov et al., PRB 71,245114 (2005) P. Novak, M. Divis,

[Wien] Absolute excitation energy in the x-ray absorption spectra calculation

In Xanes you want to put the electron into the state to which it is excited in experiment. For O-K this would be O-2p states. If your electronic structure is such, that the first conduction band states are mainly O-2p states, you should put the electron into these states. You can do that by

[Wien] Interstitial DOS

Dear Wien2k users, In the case of a surface slab or a supercell the Wien2k gives DOS for each nonequivalent atoms and interstitial DOS for full cell. Is it possible to estimate the interstitial DOS around a specified atom? Thank you, Oleg.