> 2023/03/03 20:21、Iurii TIMROV via users
> のメール:
>
> But hybrids with US and PAW in QE are slow as far as I know
It is also true in the VASP.
I was a ‘usr'.
西館数芽
Kazume NISHIDATE Ph.D
Department of Systems Innovation Engineering,
Graduate School of Science and Engineering, Iwate Universit
SALMA
Sent: Friday, March 3, 2023 11:00:14 AM
To: Iurii TIMROV; Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Why do I get the message no atomic wavefunctions in
pseudopotential?
Dear Iurii,
I want to do a comparison between GGA, GGA+U and PBE0, by studying the
electronic and optical
: Thursday, March 2, 2023 10:13:24 PM
To: users@lists.quantum-espresso.org
Subject: [QE-users] Why do I get the message no atomic wavefunctions in
pseudopotential?
Dear experts,
I tried to run 'vc-relax' calculation using NC pseudopotentials on CuI for
GGA+U, but I got the following message in
