[Pw_forum] How to create Vacuum
Rajesh
creativeidleminds at gmail.com
Mon Jul 24 16:42:57 CEST 2017
I tried to use esm with bc1 but total energy of system is coming out to be
positive not negative.
On Mon, Jul 24, 2017 at 8:06 PM, Eduardo Menendez <eariel99 at gmail.com>
wrote:
> I think the answer to how to create vacuum is in the example ESM_example.
>
> Let me present a related question. How much can we reduce the width of
> vacuum in the unit cell when using esm_bc='bc1'?
>
> Eduardo Menendez Proupin
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170724/9c660844/attachment.html>
More information about the users
mailing list