[Ifeffit] lifetime broadening of pre-edge peaks?

2011-10-08 Thread Matthew Marcus
Is the core-hole lifetime broadening of pre-edge XANES peaks the same as at the main edge? I'm looking into issues of de-noising of XANES epsctra, so need to figure out how narrow real features can be. mam ___ Ifeffit mailing list

Re: [Ifeffit] Zinc Sulfide fitting

2011-10-08 Thread JeongEunSuk
hello Two phase can be mixed in ZnS. You need to check r-factor and reduced-chi squrare with two model. If you want to fit only first shell, I suggest. first use cubic zinc-blende model in FEFF, and check goodness of fit. second, fix the bond length of 3 bonding length and change the bond