[Pw_forum] problem with vc-relax

[Lorenzo Paulatto]

I think the problem comes from using
             exxdiv_treatment = 'gygi-baldereschi' ,
without setting an Hybrid functional, exxdiv_threatement is only useful 
for Exact Exchange (EXX) calculations. Just remove that line and the 
code will run.

kind regards

On 06/24/2014 03:47 PM, Khalid Ibne Masood Khalid wrote:
> Dear Quantum Espresso users,
> I am having trouble with Quantum Espresso v 5.1. regarding variable
> cell optimization. When I had used Quantum Espresso v 5.0.2 it created
> no problem but with the same input file QE v 5.1 terminates saying:
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>       Error in routine stop_exx (1):
>       dft is not hybrid, wrong call
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> I have attached both input and output file.
>
> Please help me overcome this problem.
>
> Thanks in advance
>
>
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-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www-int.impmc.upmc.fr/~paulatto/
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