On May 1, 2012, at 9:43 , mayank gupta wrote: > I simply use fhi2upf.x <input.fhi >out.UPF
you should simply use fhi2upf.x 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