[QE-users] error with qe 6.5

[Paolo Giannozzi]

It would be helpful to provide, together with an input, the pseudopotential
files or (better)  pointers to where they can be found. Anyway:
   ecutwfc=1.0D-6
looks small, doesn't it? Under which exact conditions do you get the error
you mention?

Paolo

On Fri, Feb 12, 2021 at 1:49 PM José Carlos Conesa Cegarra <
jcconesa at icp.csic.es> wrote:

> Dear all,
>
> I have found (several times) this error with qe-6.5:
>
>
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>       Error in routine allocate_fft (1):
>       wrong ngm
>
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>       stopping ...
>
> The input file is attached. Please help
>
> --
> José C. Conesa
> Research Professor
> Instituto de Catálisis y Petroleoquímica, CSIC
> Marie Curie, 2; Campus de Cantoblanco
> 28028 Madrid (Spain)
> Phone +34 915854766
>
>
>
> --
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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