Hi,
I'm trying to calculate a strongly correlated system using hybrid
functional method. Here are the parameters that I used.
ecutwfc = 12.0
input_dft = 'hse', nqx1 = 4, nqx2 = 4, nqx3 = 4,
x_gamma_extrapolation = .TRUE.
exxdiv_treatment = 'gygi-baldereschi',
But I got the foll
what is your k-point mesh used ..??? nqx1, nqx2, nqx3 depends of these
values.. read the QE manual please.
best
PhD. Arles Gil Rebaza
IFLP - Argentina
2013/11/22 Yundi Quan
> Hi,
> I'm trying to calculate a strongly correlated system using hybrid
> functional method. Here are the parameters
_
De : pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] De la
part de Yundi Quan
Envoy? : 22 novembre 2013 17:18
? : PWSCF Forum
Objet : [Pw_forum] hybrid function
Hi,
I'm trying to calculate a strongly correlated system using hybrid functional
method
so all you can do is to calclaute a band
> structure for those points only
>
> P.
>
>
> --
> *De :* pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org]
> *De
> la part de* Yundi Quan
> *Envoy? :* 22 novembre 2013 17:18
> *
