[Pw_forum] PP for Rhenium

[vicky singh]

Hi
Thank you very much. but sorry i could not understand
     "Use - at your own risk - input variable input_dft to force the usage
of the DFT you like. "
can you please help.

regards

vickysingh
Research student
Bangalore


On Mon, Jun 14, 2010 at 12:23 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On Jun 14, 2010, at 8:24 , vicky singh wrote:
>
> >
> >      from readpp : error #         3
> >      inconsistent DFT read
>
>  From the user guie:
> "10.1.0.6 .x stops with inconsistent DFT error
>  As a rule, the flavor of DFT used in the calculation should be the
> same as the one used
>  in the generation of pseudopotentials, which should all be
> generated using the same flavor
>  of DFT. This is actually enforced: the type of DFT is read from
> pseudopotential files and it
>  is checked that the same DFT is read from all PPs. If this does not
> hold, the code stops
>  with the above error message. Use - at your own risk - input
> variable input_dft to force
>  the usage of the DFT you like."
>
> > Research student
>
> ...and searching the documentation in case of errors is not part of
> research, is that true?
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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