[Pw_forum] how to get fermi energy for semiconductor in pwscf calculation
baroni at sissa.it
Fri Jun 10 07:52:59 CEST 2011
I do not know what plotband uses the Fermi energy for, but have you tried to just give any energy within the gap? (which you have) Probably any other value would also do, but just a little trial-and-error has never harmed anybody ...
Also, it would be nice if you were to uveil your identity, affiliatio, etc. when posting to this mailing list.
Regards - SB
On Jun 10, 2011, at 7:31 AM, bamidele ibrahim 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.
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Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste
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