Dear Paolo Giannozzi Thanks for answering my query, the problem is solved with the mixing_beta = 0.1, regards
El 19 de marzo de 2012 15:10, Paolo Giannozzi <giannozz at democritos.it>escribi?: > On Sat, 2012-03-17 at 23:38 -0300, crispulo enrique deluque toro wrote: > > > I want to do a calculation vc_relax for a perovskite antiferromagnetic > > insulating properties, but unfortunately I can not get that converges > > have you made any preliminary tests on simpler cases? for all > pseudopotentials? do they work? > > P. > -- > Paolo Giannozzi, IOM-Democritos and University of Udine, Italy > > > -- *Crispulo Enrique Deluque Toro* Becario Posgrado - Universidad Nacional del Comahue, Argentina. Doctorando en Instituto Sabato - Universidad Nacional de San Mart?n, Argentina. Mag?ster en Ciencias F?sica - Universidad Nacional de Colombia Lic. F?sico-Matem?tico - Universidad del Magdalena, Colombia -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120320/aca8abcd/attachment.htm
