I am using QE-6-2-1 Please find attached my input file. Thanks, Adrian Popescu Postdoctoral researcher Department of Physics University of South Florida Tampa, FL
On Tue, May 12, 2020 at 12:10 PM Timrov Iurii <[email protected]> wrote: > Here are the posting guidelines: > > https://www.quantum-espresso.org/forum > > > Which QE version do you use? What is your input file? > > > Iurii > > > -- > Dr. Iurii Timrov > Postdoctoral Researcher > STI - IMX - THEOS and NCCR - MARVEL > Swiss Federal Institute of Technology Lausanne (EPFL) > CH-1015 Lausanne, Switzerland > +41 21 69 34 881 > http://people.epfl.ch/265334 > ------------------------------ > *From:* users <[email protected]> on behalf of > Adrian Popescu <[email protected]> > *Sent:* Tuesday, May 12, 2020 5:55:05 PM > *To:* [email protected] > *Subject:* [QE-users] error message: wrong offset > > Hello, > > I am trying to run a scf calculation for europium with spin-orbit coupling > and LDA+U and I get the following error: > from offset_atom_wfc: error # > wrong offset > I see from the archived posts that this may be caused by the > pseudopotential not containing the wave functions information. However, the > pseudopotential I am using (from the Quantum Espresso web page PSLibrary) > contains this information and has_wfc = .true. > Any ideas on how to get over this issue? > Thank you, > > Adrian Popescu > Postdoctoral researcher > University of South Florida > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
euro_scf.in
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