Damping parameters & cutoff radii in vdW calculations

Questions of type "How do I calculate xxx ?"
(Open discussion, limited support from the helpdesk.)

Moderators: Global Moderator, Moderator

Damping parameters & cutoff radii in vdW calculations

Postby deepashri » Thu Jan 19, 2017 7:13 am

Hello,

I am new to using vdW corrections in VASP. I wish to use DFT+D3 correction method in VASP for the doped monolayer of transition metal dichalcogenide. Apart from IVDW flag, how to set damping parameters and cutoff radii correctly?

Thanks in advance,
Deepashri.
deepashri
Newbie
Newbie
 
Posts: 12
Joined: Wed Jan 30, 2013 6:36 am

Return to Physics questions

Who is online

Users browsing this forum: Google [Bot] and 1 guest