On Jun 30, 2011, at 14:08 , WANG Wei wrote: > press = 72000000.0D0, ! 72GPa really? --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222