pyscfad.dft.rks.KohnShamDFT.do_nlc#

KohnShamDFT.do_nlc()[source]#

Check if the object needs to do nlc calculations

if self.nlc == False (or 0), nlc is disabled regardless the value of self.xc if self.nlc == ‘vv10’, do nlc (vv10) regardless the value of self.xc if self.nlc == ‘’, determined by self.xc, certain xc allows the nlc part