[Pw_forum] LSDA calculation with Hybrid functional

[Rita Maji]

Hi Lorenzo,
I am doing LSDA calculation for a 5x5 doped graphene calculation, to see
the change in magnetic property for hybrid functional I am trying to do
with PBE0, it is taking long time and also not printing total energy at
each scf steps so that I can see whether it is converging properly or not,
and also not showing any error during running. First time I am using Hybrid
functional so I have used all default parameters as of now, Here I have
attached the input file, any suggestion will be very much helpful.

Thanks,
Rita

On Fri, Oct 28, 2016 at 2:31 PM, Lorenzo Paulatto <
lorenzo.paulatto at impmc.upmc.fr> wrote:

> Dear Rita,
> please provide more details.
>
> kind regards
>
> On Friday, October 28, 2016 11:01:09 AM CEST Rita Maji wrote:
> > Dear all,
> > during LSDA calcultion with hybrid functional (PBE0) it is not writing
> > total and absolute magnetization and also all the contribution to total
> > energy, can anybody help me .
> >
> >
> > Thanking You,
> > Rita Maji
> > NISER, Bhubaneswar
>
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
>
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