"decreasing" ? On Sun, Feb 14, 2021 at 8:16 PM José Carlos Conesa Cegarra < jccon...@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/ > 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 <jccon...@icp.csic.es> > <jccon...@icp.csic.es> > Responder a: Quantum ESPRESSO users Forum > <users@lists.quantum-espresso.org> <users@lists.quantum-espresso.org> > Para: Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org> > <users@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 > > > > > -- > El software de antivirus Avast ha analizado este correo electrónico en busca > de virus.https://www.avast.com/antivirus > > > > <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=emailclient> > Libre > de virus. www.avast.com > <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=emailclient> > <#m_817471404283560405_DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2> > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users -- 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
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users