[Wien] (no subject)

[Sanjay Pachori]

Thanks sir

On Fri, 5 Mar 2021, 13:52 Stefaan Cottenier, <Stefaan.Cottenier at ugent.be>
wrote:

>
>
> > How to calculate the formation energy of Hybrid halide perovskite
>
> > compounds with WIEN2K.
>
> >
>
> > Compound-  ABX3
>
> > fomation eneergy A  , B & X ?
>
>
> This is not a wien2k-specific question. The answer will be the same for
> any DFT code. The general case is discussed in the chapter on geometry
> optimization/phase diagrams of this online course: www.compmatphys.org.
>
>
>
> Stefaan
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