[Pw_forum] computing different energies (dispersion/electron attraction/repulsion/polarization) from total QE energy

[gangotri dey]

Dear all,

I am computing the binding energies for few drug molecules on MnO2 surface.
In order to support my observation for various trends in binding energies,
I need to quantify the energies in terms of energies that are coming from
dispersion interaction, electron repulsion, attraction, polarization
energies etc. I was wondering if there is any method in QE that can help me
to get this data. I know this can be done in Gaussian code. However, I am
interested to know if this can be done in plane wave codes like QE.


*Thank you*

*Gangotri Dey*
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