[Wien] (no subject)

[Stefaan Cottenier]

> 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<http://www.compmatphys.org>.

Stefaan
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