[Pw_forum] cp.x and UPF
carlo.nervi at unito.it
Thu Apr 2 09:51:08 CEST 2009
I forgot to mention that I'm using the 4.1CVS version of QE.
Does anybody could suggest me what I'm doing wrong?
Carlo Nervi ha scritto:
> Dear all,
> I suppose I've correctly generated some pseudopotentials
> using the atomic tool ld1.x included in QE:
> 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 :
> 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,
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