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 <[email protected] 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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