[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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