probably is just a typo in your massage but the god keyword is not vdm-df2 but vdW-DF2 check you are using the latest version of the code... there was a problem at a given point with the way the LDA part was added at a given point (basically it was added twice...)
stefano On 08/08/2012 09:18 PM, bf azi wrote: > Hi Dear all > > In my system Van der waals interaction play important role and I use > PBE-Ultrasoft pseudopotential in my system and dft_input="vdm-df2" , > But my Result not good and Diagram of Energy via Distance have not > good Minimum. > > Can help me please? > > > Bani Adam > Faculty of Science > Egypt > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
