[QE-users] error message: wrong offset

[Timrov Iurii]

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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 <users-bounces at lists.quantum-espresso.org> on behalf of Adrian Popescu <elementh11 at gmail.com>
Sent: Tuesday, May 12, 2020 5:55:05 PM
To: users at lists.quantum-espresso.org
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
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