[QE-users] Fwd: error with qe 6.5

[José Carlos Conesa Cegarra]

I mean,

ecutwfc=1.0D-8

JC Conesa

El 14/02/2021 a las 20:38, Paolo Giannozzi escribió:
> "decreasing" ?
>
> On Sun, Feb 14, 2021 at 8:16 PM José Carlos Conesa Cegarra 
> <jcconesa at icp.csic.es <mailto:jcconesa at icp.csic.es>> wrote:
>
>     Dear all,
>
>     Even decreasing ecutwfc by two orders of magnitude the error
>     remains the same. The PBE pseudopotentials are those included in
>
>     https://www.materialscloud.org/discover/sssp/table/
>     <https://www.materialscloud.org/discover/sssp/table/>
>
>     Please help.
>
>     -------- Mensaje reenviado --------
>     Asunto: 	[QE-users] error with qe 6.5
>     Fecha: 	Fri, 12 Feb 2021 13:49:24 +0100
>     De: 	José Carlos Conesa Cegarra <jcconesa at icp.csic.es>
>     <mailto:jcconesa at icp.csic.es>
>     Responder a: 	Quantum ESPRESSO users Forum
>     <users at lists.quantum-espresso.org>
>     <mailto:users at lists.quantum-espresso.org>
>     Para: 	Quantum ESPRESSO users Forum
>     <users at lists.quantum-espresso.org>
>     <mailto:users at lists.quantum-espresso.org>
>
>
>
>     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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-- 
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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