[Pw_forum] cp.x and UPF

Carlo Nervi carlo.nervi at unito.it
Wed Apr 1 21:16:25 CEST 2009


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

--
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Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8
Fax: +39 011 6707855 - Dipartimento di Chimica IFM
via P. Giuria 7, 10125 Torino, Italy
http://lem.ch.unito.it/





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