Dear all, I remenber that, it has been mentioned recently, that ld1.x is not able to generate PAW/PP's for vdw-DFs. I am trying to perform a calculation with vdw-DF2 which is made up as NOX-PW-RW86-VDW2. I thought that it might be reasonable to use a PAW which is generated for a functional based on RW86, is that right? I would try the setting dft='NOX-PW-PW96-(anything else?)'. Does anybody can tell whether is settings is reasonable?
best wishes florence liu TU Munich -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120903/ad043a34/attachment.htm
