ESPRESSO users Forum
Subject: Re: [QE-users] ph.x calculation with DPT+U
Dear LIANG Xiongyi,
> Have you run DFPT+U by ph.x?
Yes, of course. I am one of the coauthors of this paper:
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.101.064305
> How many day it will take? One week? One
ch/265334
From: users on behalf of LEUNG
Clarence
Sent: Friday, October 23, 2020 3:33:02 PM
To: Quantum Espresso users Forum
Subject: Re: [QE-users] ph.x calculation with DPT+U
Dear Lurii,
Have you run DFPT+U by ph.x?
How many day it will take? One week? One month?
2020年10月19日 5:33
To: users@lists.quantum-espresso.org<mailto:users@lists.quantum-espresso.org>
Subject: Re: [QE-users] ph.x calculation with DPT+U
Dear Liang,
> It is very slow, it is normal?
Yes
> My system consists of 80 atoms...
For such a large system DFPT+U is expect
1 69 34 881
http://people.epfl.ch/265334
From: users on behalf of LEUNG
Clarence
Sent: Saturday, October 17, 2020 8:53:18 AM
To: users@lists.quantum-espresso.org
Subject: [QE-users] ph.x calculation with DPT+U
Dear QEusers,
Recently, I do ph.x calculation wit
e.epfl.ch/265334
From: users on behalf of LEUNG
Clarence
Sent: Saturday, October 17, 2020 8:53:18 AM
To: users@lists.quantum-espresso.org
Subject: [QE-users] ph.x calculation with DPT+U
Dear QEusers,
Recently, I do ph.x calculation with DPT+U in QE6.6. However, it is
Dear QEusers,
Recently, I do ph.x calculation with DPT+U in QE6.6. However, it is very very
slow. The output file running for four days as follows:
Atomic wfc used for the projector on the Hubbard manifold are NOT
orthogonalized
Calculating the dnsbare matrix...
Calculating the
