Hi,Zhiting Tian "Too many bands are not converged" can be solved for two way: 1.increase ecutwfc 2.decrease conv_thr or both do them.
Best Regards -- Yun Song,Kang Physical Science and Technology of Inner Mongolia University. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110926/8f5f3309/attachment.htm
