On Jun 12, 2012, at 19:04 , MARTA FERRARO wrote: > I have problems to optimise a CRYSTAL Structure with 220 atoms
optimise with what code? CRYSTAL? 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
