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

[Mahmoud Payami Shabestari]

Dear Iurii,



Hi.

Thank you so much for your reply.

As you suggested, I uploaded the input, output, and PP to google drive:



https://drive.google.com/file/d/17_qAiCmq4G7ZrhcdR0jmeliTjZEQLMnR/view?usp=sharing



Thank you in advance.

Best regards,

mahmoud








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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