[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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