[Pw_forum] Regarding Vdw interactions

Kondaiah Samudrala konda.physics at gmail.com
Wed Feb 1 07:31:54 CET 2012

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
Research scholar
University of Hyderabad
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