Dear bamidele ibrahim:
It is up to you to set the reference level for a semiconductor as long as
within the gap, as prof. Baroni said. In addition, the reference energy is only
used by plotband.x when generating *.ps file, not used when generating *.xmgr
file. I think the *.xmgr file is more useful for further plotting. Thus, it is
unnecessary to pay much attention to the so called "Fermi energy".
Best Wishes!
Yours Sincerely
L. F. Huang
> Date: Fri, 10 Jun 2011 07:52:59 +0200
> From: Stefano Baroni
> Subject: Re: [Pw_forum] how to get fermi energy for semiconductor in
> pwscf calculation
> 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
>
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L.F.Huang(???) DFT and phonon physics
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Add: Research Laboratory for Computational Materials Sciences,
Instutue of Solid State Physics,the Chinese Academy of Sciences,
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