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 users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users