[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
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