On Sep 25, 2011, at 4:58 , WF wrote: > my problem here is [...] how to show 5P in later PDOS calculation > you need atomic wavefunctions for a bound 5P state in the pseudopotential file
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
