[QE-users] Vanderwaals contribution to total energy
masood yousaf
masood.yousaf at ue.edu.pk
Sun May 6 20:14:47 CEST 2018
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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