On Mar 14, 2012, at 13:00 , Jonathan Trinastic wrote: > I'm wondering if anyone has had problems using the Mg PAW potential > (Mg.pbe-nsp-bpaw.UPF) listed on the QE website? When I use it, I > receive the error > > from read_ncpp: error # 1 > Wrong nlc or nnl
It works for me. "read_ncpp" is the routine that reads the (obsolete) norm-conserving pseudopotential format and should not be called in this case. You should first of all understand why it is called (routine "read_pp" in "Modules/ read_pseudo.f90") 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
