[Pw_forum] Van der Waals interactions
Eleftheria Gkogkosi
elefthe at mail.ntua.gr
Fri Oct 27 22:10:05 CEST 2017
Hello,
Is it acceptable to set input_dft='vdw-DF' and then also use
vdw_corr='DFT-D' in order to adjust london_c6(1) parameters?
Or does one have to choose between a) non local functions (e.g. vdw-DF)
and b) london correction to the, say, PBE functionals?
--
Eleftheria Gkogkosi
Applied Mathematics & Physics Dept.
National Technical University of Athens
http://users.ntua.gr/elefthe
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