[Pw_forum] fermi level (XQ Wang)
lanhaiping at gmail.com
Fri Aug 15 09:20:14 CEST 2008
No, it depends on smearing scheme used in the calculation!
2008/8/15 wangxinquan <wangxinquan at tju.edu.cn>
> >Dear all,
> Dear vega,
> > Fermi energy is written in output whenever it is calculated, that is in
> > any scf calculations for metals.
> >How about the case for semi-conductors like TiO2? When calculations for TiO2
> >was achieved, I can't find any information about Fermi energy in my output
> You could search the key words "the Fermi energy is" in your output
> file. It
> mostly lies above the "total energy" term of the last BFGS convergence.
> Best regards,
> XQ Wang
> X.Q. Wang
> wangxinquan at tju.edu.cn
> School of Chemical Engineering and Technology
> Tianjin University
> 92 Weijin Road, Tianjin, P. R. China
> tel:86-22-27890268, fax: 86-22-27892301
> Pw_forum mailing list
> Pw_forum at pwscf.org
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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