Thanks Stefano and Paolo. I think now I am able to run my calculations OK. Best wishes
Miguel Angel -----Mensaje original----- De: pw_forum-admin at pwscf.org [mailto:pw_forum-admin at pwscf.org] En nombre de Paolo Giannozzi Enviado el: jueves, 25 de mayo de 2006 10:40 Para: pw_forum at pwscf.org Asunto: Re: [Pw_forum] symmetry operations 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 _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum
