On Thursday 30 December 2004 20:06, Roberto G. A. Veiga wrote: > Must I run a 'scf' calculation before a 'relax' one? no > Or does 'relax' calculation also perform a scf 'one'? yes -- Paolo Giannozzi e-mail: giannozz at nest.sns.it Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513 Piazza dei Cavalieri 7 I-56126 Pisa, Italy