On 1/6/12, majid fathiyan wrote:
> hi
> can sent for me this paper ?
> i can not download this paper because have not password and username.
> thank from all.
>
hi
can sent for me this paper ?
i can not download this paper because have not password and username.
thank from all.
hi
can sent for me this paper ?
i can not download this paper because have not password and username.
thank you from all.
Dear SIESTA Users,
I have encounter a problem in performing constant volume MD calculations. I
started the MD at low temperature and try to raise the temperature to 500K in
500 time steps using the Anneal option. The MD progress normally for the first
200 steps but then suddenly the atomic force
Dear CGRocha,
Thanks for the help, i'll try to do that right now.
Best wishes,
Clerisson.
Em 06-01-2012 11:11, Gomes Rocha escreveu:
Dear Nascimento,
first of all, for the transport calculation, try to enhance a bit the
electrode layer
and check again the results.
For the stress, I would rec
Dear Nascimento,
first of all, for the transport calculation, try to enhance a bit the
electrode layer
and check again the results.
For the stress, I would recommend Create an initial guess for the
ribbon with
a slightly bigger carbon-carbon bond for all the atoms. Then relax the
whole struct
Dear all,
I'm interested in transport properties of graphene nanoribbon under
uniaxial strain. I have read some posts here on list so i got some
direction. But i'm still a little bit confused regarding a couple things.
First, i made one unit cell of an AGNR8 then relax that using
MD.
