On Jun 24, 2011, at 15:39 , Vikas Varshney wrote: > I wanted to ask if input_dft="vdw-df" does the same thing? no, it uses the nonlocal functional by Dion et al (vdW-DF) P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222