[Pw_forum] PP converter from upftools
BOUYER Frédéric 153746
FB153746 at ATIL.CEA.FR
Thu Sep 16 08:52:59 CEST 2004
Hello Sergey,
This is because the program cannot find the file pp.cpi. Normally, FHI
produces a file called NAME.cpi . Don't forget that you have to indicate to
the program some data, for instance, lloc, occupations, and so on.
The program writes a file (see the standard output) NAME.cpi.UPF, that is
readable directly by PW.
Good luck,
Frédéric
-----Message d'origine-----
De : pw_forum-admin at pwscf.org [mailto:pw_forum-admin at pwscf.org] De la part
de Sergei Lisenkov
Envoyé : mercredi 15 septembre 2004 18:21
À : pw_forum at pwscf.org
Objet : [Pw_forum] PP converter from upftools
Dear PWscf authors and users,
I tried to convert pseudopotential in fhi98PP form to upf format. I used the
command:
./fhi2upf pp.fhi
but I always got
usage: fhi2upf [input file]
Any hints?
Best wishes,
Sergey
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