[Pw_forum] Counterpoise correction

[Francis Jing]

Dear all,

I want to study weak interactions using vdw-DF, and have two questions:

1. How to do counterpoise correction?
I have searched the manual and the web, but cannot find a detailed
instruction.
In the Gaussian program, it is done by setting atoms as ghost. So how can I
use ghost atoms in PWscf?

2. The vdw-DF already has a good description of weak interactions, so is
there any need to do counterpoise correction?

Thanks,
Francis

-- 
Zhifeng (Francis) Jing
Graduate Student in Physical Chemistry
School of Chemistry and Chemical Engineering
Shanghai Jiao Tong University
http://sun.sjtu.edu.cn
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