On Nov 22, 2010, at 13:11 , Mahmoud Payami wrote: > ecutwfc = 70.0 , > ecutrho = 200.0
not a great idea: ecutrho should be 4*ecutwfc. By the way, 70Ry for Al is a VERY big cutoff P. --- Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
