[Pw_forum] how to get fermi energy for semiconductor in pwscf calculation
flux_ray12 at 163.com
Fri Jun 10 08:16:11 CEST 2011
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:
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.
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