[QE-users] Errors in vc-relax calculations for a supercell
Shaona Bose
shaona.bose at kgpian.iitkgp.ac.in
Sat Sep 25 20:08:01 CEST 2021
I changed the value and it's running now. Thank you!
On Sat 25 Sep, 2021, 4:05 PM Paolo Giannozzi, <p.giannozzi at gmail.com> wrote:
> On Fri, Sep 24, 2021 at 10:18 PM Shaona Bose <
> shaona.bose at kgpian.iitkgp.ac.in> wrote:
>
> ecutwfc = 4.0424258546d+00
>>
>
> 4 Ry is an extremely small cutoff. Likely you have more processors than
> plane waves
>
> Paolo
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210925/209dc13a/attachment.html>
More information about the users
mailing list