[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
_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum



More information about the users mailing list