On May 25, 2010, at 16:57 , shu xu wrote: > ecutwfc = 40 , > ecutrho = 320 ,
I don't think meta-gga is implemented together with double grid. In any case, you do not need the double grid, since meta-gga is not implemenetd for ultrasoft PPs. Do not specify ecutrho. P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
