Siesta no longer include the atom.
2018-05-21 17:56 GMT+03:00 Azadeh Ayatollahie
:
> Dear all
> I am going to make vdw pseudo with siesta4-0, but when I installed
> siesta4-0, the pseudo directory was empty and there was not atom directory
> in it. How can I get the atom4-0 directory?
>
> Best,
Dear Nick,
But in reality, it is possible to have an applied bias between two ends of
a pristine material without any defects, isn't it?
What is wrong with this system? Is the problem non-metallic electrodes? can
we study pristine metal materials under an applied bias? In these cases,
the length
Dear Leonardo,
How can I use 0.8 V output as starting point for 1.2 V calculation... I
am getting confused to do that as I am very new to use this computational
tool.
Sorry for this silly question.
I am eagerly waiting for your kind reply.
Thanking you.
With regards,
Bibhas
On Wed, May 23,
Thanks Leonardo and Papior for your kind reply. I will try to recalculate
the current following your suggestion.
Thanks and regards,
Bibhas
On Tue, May 22, 2018 at 2:05 AM, Leonardo Fonseca
wrote:
> The first steps to try are:
>
> 1) Use your 0.8 V output as starting point for your 1.2 V calcul
