[Pw_forum] PP for Rhenium
kirtinandan07 at gmail.com
Mon Jun 14 12:19:05 CEST 2010
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.
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
> Pw_forum mailing list
> Pw_forum at pwscf.org
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