[Pw_forum] error messege igcx

[Paolo Giannozzi]

If you are using option "input_dft", check that he value you provided is
correct. If not: check the DFT label in the header of pseudopotential files
(for UPF files, search for 'Exchange_Correlation')

Paolo

On Wed, Aug 24, 2016 at 11:49 AM, mohammadreza hosseini <
mhr.hosseini at modares.ac.ir> wrote:

> Dear all
>
> I am studding electronic and magnetic properties of SnO2 clusters. I have
> performed relax calculations and now i am doing SCF job using espresso
> v.5.1. In the scf calculations i get this error :
>
>
>      Error in routine set_dft_from_name (1):
>       conflicting values for igcx
>
> I have searched different webs in particular espresso forum.
> Is it possible for you to help me what i should do?
>
>
>
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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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