On Nov 5, 2010, at 22:02 , wumindt2 wrote: > C.pbe-rrkjus.UPF and O.pbe-rrkjus.UPF
ultrasoft > C.pbe-mt_gipaw.UPF and O.pbe-van_gipaw.UPF norm-conserving, and quite hard. A cutoff that is appropriate for the former may ot be sufficient for the latter. This is the first thing to be verified. P. --- Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222