On Thursday 03 November 2005 22:51, Alcantara Ortigoza, Marisol wrote: > I'm trying to run matdyn.x for a certain q-grid and, although I get > the vectors and frequencies files (which look correctly) I get an > error from matdyn.f90 (version 2.1.5) : 'non-analytic term for q=0 > missing!".
you get a message, not an error. Somebody complained that he didn't get the LO-TO splitting in phonon dispersions, so I added this message to warn that effective charges and dielectric tensor were not found in the dynamical matrix file at q=0 and thus the LO-TO splitting will be absent. Since nobody seems to read even vaguely the users' guide, I'll write a more explicit message -- 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
