I forgot to mention that I'm using the 4.1CVS version of QE. Does anybody could suggest me what I'm doing wrong? Thank you, Carlo
Carlo Nervi ha scritto: > Dear all, > I suppose I've correctly generated some pseudopotentials > using the atomic tool ld1.x included in QE: > H.pbe-rrkjus.UPF > Ru.pbe-rrkjus.UPF > C.pbe-rrkjus.UPF > N.pbe-rrkjus.UPF > > The pseudoptentials apparently works fine in geometry > optimizations performed with pw.x > However, when I try to use cp.x for MD the following > message appears: > > Reading pseudopotential for specie # 1 from file : > /opt/QE/pseudo/H.pbe-rrkjus.UPF > file type is 0: Old CPV NC PP > > %%%%%%%%%%%%%%%% > from readpp : error # 2 > file format no longer supported > > Perhaps I missed some readings/informations from the > manual, but I would appreciate any suggestions. > Thank you, > Carlo >
