[QE-users] dipfield

[Asad Mahmood]

Sorry, I forgot to add affiliation.

Asad Mahmood
Reseach Assistant
Q.A.U, Islamabad
Pakistan

On Tue, Nov 13, 2018, 12:38 PM Asad Mahmood <amahmood at phys.qau.edu.pk wrote:

> Hi,
>
> I have a hexagonal graphene(or any other) monolayer and I hydrogenate(or
> flourinate, etc.) on the top surface only (single sided). Is there need to
> use flag dipfield = .true ? What is benefit or disadvantage of using this
> flag for optimization of L.C or bond length?
> I am using 20 angstrom vacuum between two layers to avoid mutual influence.
>
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