On Mar 18, 2010, at 19:43 , Fang, Yuan wrote: > How can we change different functional used in the self-consistent > calculation > for atom, like from LDA to GGA? Is there any variable to control this
yes, "input_dft" P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
