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://www.democritos.it/pipermail/pw_forum/attachments/20120201/65e30309/attachment-0001.htm
