I generated proper FR-USPP with the mentioned properties, and now it works
amazingly.
Bests,
Mahmoud
From: Mahmoud Payami Shabestari via users
To: "Iurii TIMROV" , "Quantum ESPRESSO users Forum"
Date: Thu, 18 Aug 2022 20:39:29 +0430
Subject: Re: [QE-users] QE-7.1 d
Payami Shabestari , "Quantum ESPRESSO users
Forum"
Date: Thu, 18 Aug 2022 12:29:22 +
Subject: Re: [QE-users] QE-7.1 does not support NCPP
As usual, could you send please all the needed files to reproduce the error?
Iurii
--
Dr. Iurii TIMROV
Senior Research Scientist
Theory and Sim
/265334
From: Mahmoud Payami Shabestari
Sent: Thursday, August 18, 2022 9:16:32 AM
To: Iurii TIMROV; Quantum ESPRESSO users Forum
Subject: Re: [QE-users] QE-7.1 does not support NCPP
Dear Iurii,
Hi.
The bug-fix:
https://gitlab.com/QEF/q-e/-/merge_requests/1948/diffs
occupations is not allowed
%%
Best regards,
Mahmoud
From: Iurii TIMROV via users
To: Mahmoud Payami Shabestari , "Quantum ESPRESSO users
Forum"
Date: Mon, 15 Aug 2022 17:02:21 +
Subject: Re: [QE-users] QE-7.1 does not support NCPP
ust 15, 2022 2:00:52 PM
To: Iurii TIMROV; Quantum ESPRESSO users Forum
Subject: Re: [QE-users] QE-7.1 does not support NCPP
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/fil
rum
Subject: Re: [QE-users] QE-7.1 does not support NCPP
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 rega
, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334
From: users on behalf of Mahmoud
Payami Shabestari via users
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
(EPFL)
CH-1015 Lausanne, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334
From: users on behalf of Mahmoud
Payami Shabestari via users
Sent: Monday, August 15, 2022 12:10:30 PM
To: users@lists.quantum-espresso.org
Subject: [QE-users] QE-7.1 does not support
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
%%
