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-boun...@lists.quantum-espresso.org> on behalf of Mahmoud Payami Shabestari via users <users@lists.quantum-espresso.org> Sent: Monday, August 15, 2022 12:10:30 PM To: users@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: mpay...@aeoi.org.ir Phone: +98 (0)21 82066504 --------------------------------------------------------
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