On Jul 6, 2012, at 9:13 , manoj narayanan wrote: > So is it ok to use the Z+1 approximation rather > than using core excited pseudo potential ?
this is about physics, not about software, and the answer should be found in papers. P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
