.@uga.edu>
From: users on behalf of Paolo
Giannozzi
Sent: Tuesday, September 22, 2020 8:55 AM
To: Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Hybrid vc-relax
[EXTERNAL SENDER - PROCEED CAUTIOUSLY]
On Mon, Sep 21, 2020 at 6:47 PM Mona Asadinamin
mailto:mon...@uga
On Mon, Sep 21, 2020 at 6:47 PM Mona Asadinamin wrote:
Considering that vc-relax is not implemented for hybrid functionals
who told you that? it may be slow and not very robust, but it is
implemented, as far as I know
Paolo
Best regards;
>
>
> Mona Asadi Namin
>
> Graduate student
>
> Center
Hi,
I want to do hybrid calculations (HSE06) by changing the cell size manually. I
have done PBE calculations first and then changed the cell size (in the case of
a cubic structure, only one parameter) by 0.001 bohr increments around the
optimized value found by PBE.
Considering that vc-relax
