[Pw_forum] Error has not been solved

Paolo Giannozzi p.giannozzi at gmail.com
Thu Aug 25 14:27:51 CEST 2016


Actually it is not that simple: apparently one of the values for DFT,
either read from pseudopotentials or provided in input, has a malformed
syntax.

Paolo

On Thu, Aug 25, 2016 at 2:21 PM, stefano de gironcoli <degironc at sissa.it>
wrote:

> Dear Mohammadreza,
>   the error means that you are using two pseudo-potentials that have been
> generated with two different functionals. in particular the gradient
> corrected functional for exchange appears to be in conflict.
>   check your pseudo-potentials
> stefano
>
> On 25/08/2016 14:00, mohammadreza hosseini wrote:
>
> Dear giannozzi
>
> I studied your message about my error " conflicting igcx value " but  i
> could not see this part at my pseudo file. What variables are conflicting
> exactly ?
>
> Best
> mohammadreza
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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