[Pw_forum] Regarding Vdw interactions

[Kondaiah Samudrala]

Dear all,

I have confusion on implementation of grimme (london = .true.) in DFT. Is
it valid only for ground state or at high pressures also????

Please give clarification for me to do High pressure structral transitions
using grimme correction to PBE is how much valid?????


I expect favorable reply

Thanks in advance

with regards
S.Appalakondaiah
Research scholar
University of Hyderabad
Hyderabad
India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120201/65e30309/attachment.html>