022 3:43:10 PM
To: Iurii TIMROV; Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Hubbard_occ()
Dear Iurii,
As you suggested, I downloaded and compiled it from gitlab.
I did not see any changes in my expected results.
In fact, when I use the variable Hubbard_occ with different input values fo
Federal Institute of Technology Lausanne (EPFL)
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http://people.epfl.ch/265334
From: Mahmoud Payami Shabestari
Sent: Tuesday, December 6, 2022 4:22:32 AM
To: Iurii TIMROV; Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Hubbard_occ()
Dear Iurii
it from pseudo, as mentioned in the userguide.
Bests,
Mahmoud
From: Iurii TIMROV via users
To: Mahmoud Payami Shabestari , "Quantum ESPRESSO users
Forum"
Date: Tue, 6 Dec 2022 05:28:19 +
Subject: Re: [QE-users] Hubbard_occ()
I would try to download the latest QE version f
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From: Mahmoud Payami Shabestari
Sent: Monday, December 5, 2022 4:32:05 PM
To: Iurii TIMROV; Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Hubbard_occ()
Dear Iurii,
Hi.
Thank you so much for your kind prompt response.
I used the development version of PW at gitlab, but
estari
Sent: Monday, December 5, 2022 4:32:05 PM
To: Iurii TIMROV; Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Hubbard_occ()
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 messag
Forum
Subject: Re: [QE-users] Hubbard_occ()
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
?
Thank you in advance.
Best regards,
Mahmoud
From: Iurii TIMROV via users
To: Mahmoud Payami Shabestari , "Quantum ESPRESSO users
Forum"
Date: Mon, 5 Dec 2022 14:50:14 +
Subject: Re: [QE-users] Hubbard_occ()
> I am testing the "Hubbard_occ(ityp,i)" variabl
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From: users on behalf of Mahmoud
Payami Shabestari via users
Sent: Monday, December 5, 2022 3:48:03 PM
To: users@lists.quantum-espresso.org
Subject: [QE-users] Hubbard_occ()
Dear All,
I am testing the "Hubbard_occ(ityp,i)" variable in QE-7.1 to override reading
the occupa
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
