On Thursday 25 May 2006 10:36, Paolo Giannozzi wrote: > and atomic positions in > - cartesian coordinates, either A or a.u., and also in units of the lattice parameter a=celldm(1) -- 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