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 < jccon...@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 > > > > -- > El software de antivirus Avast ha analizado este correo electrónico en > busca de virus. > https://www.avast.com/antivirus > _______________________________________________ > 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