Van der Waals interaction calculation with VASP

Question on input files/tags, interpreting output, etc.

Please check whether the answer to your question is given in the VASP online manual or has been discussed in this forum previously!

Moderators: Global Moderator, Moderator

Post Reply
Message
Author
hroSP

Van der Waals interaction calculation with VASP

#1 Post by hroSP » Tue Jul 05, 2005 12:37 pm

Do you any paper where Van der Waals interaction calculation with VASP is published.
Last edited by hroSP on Tue Jul 05, 2005 12:37 pm, edited 1 time in total.

admin
Administrator
Administrator
Posts: 2922
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

Van der Waals interaction calculation with VASP

#2 Post by admin » Tue Jul 05, 2005 2:32 pm

Van der Waals interactions are not accounted for sufficiently by most DFT codes,
including VASP
Last edited by admin on Tue Jul 05, 2005 2:32 pm, edited 1 time in total.

hroSP

Van der Waals interaction calculation with VASP

#3 Post by hroSP » Tue Jul 05, 2005 4:42 pm

[quote="admin"]Van der Waals interactions are not accounted for sufficiently by most DFT codes,
including VASP[/quote]
I know that Van der Waals interactions are not accounted. But I wanted to know more about this. Therefore I asked for any paper where this topic is investigated. I have to know the magnitude of the effect of the missing Van der Waals interaction compared with the VASP calculated forces.
Last edited by hroSP on Tue Jul 05, 2005 4:42 pm, edited 1 time in total.

Post Reply