[QE-users] QE-7.1 does not support NCPP

[Iurii TIMROV]

Please provide the input and output files of your calculations so that we can investigate the issue (e.g. using the public Google Drive repository).


Iurii


--
Dr. Iurii TIMROV
Senior Research Scientist
Theory and Simulation of Materials (THEOS)
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 Mahmoud Payami Shabestari via users <users at lists.quantum-espresso.org>
Sent: Monday, August 15, 2022 12:10:30 PM
To: users at lists.quantum-espresso.org
Subject: [QE-users] QE-7.1 does not support NCPP

Dear QE-7.1 Developers,

Kindly, I tried to test norm-conserving PP with QE-7.1, but in the process of reading the PP information the following error appears:

%%%%%%%%%%%%%%
     Error in routine offset_atom_wfc (1):
     Mismatch between the requested and available manifolds
%%%%%%%%%%%%%%%%%%%%%

I would be grateful for any solution for this problem.

Best regards,
Mahmoud Payami

NSTRI, AEOI, Tehran, Iran

Email: mpayami at aeoi.org.ir
Phone: +98 (0)21 82066504
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