On Oct 15, 2011, at 15:46 , Thaneshwor Kaloni wrote: > Is the B97-D3 scheme implemented in quantum espresso?
exchange-correlation? what is implemented is listed in Modules/funct.f90 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
