I have the same question about bandstructure in big unit cells: I want to calculate band structructure of a big unit cell but i get some parallel line . My computing resources are limited and i can increse one of the "ecut","ether" , "number of K-point in the scf and band structure calculation" "self consistent accuracy". What is your suggestion?
thanks Mohsen Modarresi Ferdowsi University of Mashhad, Iran. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100910/eeaed1b9/attachment-0001.htm
