[Pw_forum] init_london Error

Paolo Giannozzi giannozz at democritos.it
Sat Jun 25 15:05:33 CEST 2011


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.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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