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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140529/2dc6943b/attachment.html
