[Pw_forum] How to create Vacuum
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>
> 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
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