c.upmc.fr
> Subject: Re: [Pw_forum] Bilayer graphene with an electric field applied
>
> In data 30 settembre 2010 alle ore 15:30:01, Elie Moujaes
> ha scritto:
> > The thing is there are no problems in the DOS calculations; only in the
> > band structure.
>
> Are you
In data 30 settembre 2010 alle ore 15:30:01, Elie Moujaes
ha scritto:
> The thing is there are no problems in the DOS calculations; only in the
> band structure.
Are you sure you did a proper band plot along a path in the Brillouin zone
(like example01) and not just plot of the band energie
On 09/30/2010 03:30 PM, Elie Moujaes wrote:
> Dear Gabriele,
>
> I have tried the tefield but i am getting the same messy results
> again.. The thing is there are no problems in the DOS calculations;
> only in the band structure. I have increased the E field in the new
> calculation to 0.1 inste
with an electric field applied
Dear Elje,
since you are dealing with a slab geometry and you want to apply the field
along the direction perpendicular to the surface, why don't you use the
sawtooth potential (tefield=.TRUE. instead of lefield=.TRUE.) to generate the E
field?
On 09/28
...@sissa.it
To: pw_forum at pwscf.org
Subject: Re: [Pw_forum] Bilayer graphene with an electric field applied
Dear Elje,
since you are dealing with a slab geometry and you want to apply the field
along the direction perpendicular to the surface, why don't you use the
sawtooth potential (te
Dear Elje,
since you are dealing with a slab geometry and you want to apply the
field along the direction perpendicular to the surface, why don't you
use the sawtooth potential (tefield=.TRUE. instead of lefield=.TRUE.) to
generate the E field?
On 09/28/2010 10:41 PM, Elie Moujaes wrote:
>
Dear all,
I
I am trying to get the band structure of graphene under the effect of an
electric field. The problem is that the result at the end is very messy and
jiggly. I repeated the calculations many times but I still get the same result.
I first performed a scf calculation without the elec
