On May 10, 2012, at 12:57 , Magdalena Birowska wrote: > I am trying to relax a surface slab of GaAs which has 72 atoms.
mixing_mode='local-TF' should yield the best performances for surfaces 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
