[QE-users] metal/organic interface benzene adhesion

[Ola Starkolis]

Hello superiors,

I am new to QE and solid state calculations.
I would like to calculate the adhesion of benzene molecule
on metal surface, aluminum oxide. But, I even do not know
what to start from. Can some one simply tell me
what kind of calculations should i do?

I will be very thankful to all how can give me an advize.


Sincerely,

Ola.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210822/07820af6/attachment.html>