You can try to use smearing in scf calculation by adding occupations='smearing' in &system namelist.
At 2011-06-10 13:31:45?"bamidele ibrahim" <bamideleibrahim at yahoo.com> wrote: dear all, I am working on some semiconductor materials, i want to plot there band structure. After running the scf,nscf and band calculations. To plot the band structure, i was asked by the plotband.x to input the value of fermi energy which i don't have. Please, kindly assist me with this problem if anybody have an idea of what to do. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110610/d750fbb2/attachment.htm
