Dear Iurii,
Hi.
Thank you so much for your kind prompt response.
I used the development version of PW at gitlab, but encountered the
following error message:
++++++++++++++++++++++++===
In file included from /usr/include/bits/floatn.h(119),
from /usr/include/stdio.h(406),
from copy.c(3):
/usr/include/bits/floatn-common.h(214): error: invalid combination of type
specifiers
typedef float _Float32;
^
+++++++++++++++++++++++=====
Could you please mention which files of 7.1 should be replaced from gitlab
to fix the problem?
Thank you in advance.
Best regards,
Mahmoud
From: Iurii TIMROV via users <[email protected]>
To: Mahmoud Payami Shabestari <[email protected]>, "Quantum ESPRESSO users
Forum" <[email protected]>
Date: Mon, 5 Dec 2022 14:50:14 +0000
Subject: Re: [QE-users] Hubbard_occ()
> I am testing the "Hubbard_occ(ityp,i)" variable in QE-7.1 to override
reading the occupation from pseudopotential. It seems that it is not
functioning yet?! I get the same results for different values of
Hubbard_occ.
There is a bug in QE-7.1. It has been fixed in the development version on
Gitlab about a month ago.
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 <[email protected]> on behalf of Mahmoud
Payami Shabestari via users <[email protected]>
Sent: Monday, December 5, 2022 3:48:03 PM
To: [email protected]
Subject: [QE-users] Hubbard_occ()
Dear All,
I am testing the "Hubbard_occ(ityp,i)" variable in QE-7.1 to override
reading the occupation from pseudopotential. It seems that it is not
functioning yet?! I get the same results for different values of
Hubbard_occ.
Any comment is highly appreciated.
Bests,
Mahmoud Payami
NSTRI, AEOI, Tehran, Iran
Email: [email protected]
Phone: +98 (0)21 82066504
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