Hi, The way to overcome the troubles with ibrav=0 for phonon calculations is first to get cartesian coordinates using a specified basis vectors and then turn to your "native" lattice and use "alat" units.
Bests, Eyvaz. --- Paolo Giannozzi <giannozz at nest.sns.it> wrote: > On Tuesday 30 May 2006 11:35, sun jason wrote: > > > The dynmat.x will not work if I run the scf and > phonon calculation > > with a "free" structure by ibrav=0 and specified > lattice parameters. > > it is a known problem, but fixing it requires some > care in order > to avoid breaking something else > > Paolo > -- > 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 > __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com
