[Pw_forum] Pt pseudopotential from atomic code
Paolo Giannozzi
giannozz at nest.sns.it
Fri Jul 22 15:54:15 CEST 2005
On Friday 22 July 2005 15:42, Sergey Lisenkov wrote:
> [...]
> I tried to test this pseudopotential, but got the next error:
> [...]
> from read_pseudo_header : error # 1
> unknown pseudo type
> [...]
> The header of PsP is printed:
> [...]
> <PP_HEADER>
> 0 Version Number
> Element
> US Ultrasoft pseudopotential
Element ? nothing ! read the following line, get obscure error ...
fixed in the cvs version. In the meantime, provide the atom
name when you generate a PP (or simply add it to the file)
P.
--
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
Piazza dei Cavalieri 7 I-56126 Pisa, Italy
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