[QE-users] Vanderwaals contribution to total energy

Evren Ataman ataman.evren at gmail.com
Sun May 6 21:02:46 CEST 2018

Hey Masood

It should be reported at the end of each iteration as "dispersion
correction" in Ry units.


On Sun, May 6, 2018, 8:15 PM masood yousaf <masood.yousaf at ue.edu.pk> wrote:

> Dear Members,
> I am using QE v.5.1. I am doing total energy calculations, At the end of
> the run, I can see total energy that includes vanderwaals correction but  *how/where
> can I see the amount of energy contributed by vanderwaals correction (or
> alternatively total energy without vanderwall correction).*
> I am using the followings tags in my input file.
> vdw_corr='Grimme-D2'
> disk_io='default'
> Thank you very much !
> Best wishes
> Masood
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