[Wien] Geometry optimization + dftd3

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Sat Jan 9 09:58:42 CET 2016


yes

On Fri, 8 Jan 2016, Bruno Landeros wrote:

> Dear Wien2k users:
> When a minimization of internal parameters is carried out by using the
> command
> 
> run_lawp -min -dftd3
> 
> 
> Does the final TOTAL ENERGY reported at the case.scf file include the DFTD3
> correction for the energy? 
> 
> 
> 
> Thanks in advance,
> 
> Bruno 
> 
>


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