[Wien] How to plot electron density over/below Fermi Energy

[Peter Blaha]

There are several possiblilities:

Plot the DOS (in Ry !!!) so that you can select a desired energy range.

Then use lapw2 with emin and emax. (x lapw2 -h; or use w2web)

Alternatively, when you want to plot the density of ONE electron above 
EF, increase NE in case.in2 by one and set emin to EF.

Donghui Guo schrieb:
> Dear all,
> 
> I am kind of confused how to plot the occupied/unoccupied electron desity. 
> For electron density over fermi energy, should I use fermi energy Emin to truncate the states below fermi level?
> 
> Best regards, 
> Yours, 
> Donghui Guo
> 2009-02-12
> 
> 
> ************************************************
> Donghui Guo 
> Catalysis Research Center (CRC)
> Hokkaido University
> 21-10 Kita, Sapporo 001-0021
> Japan
> dhguo at cat.hokudai.ac.jp
> TEL: +81-11-706 9114 (office)
> ******************************************************
> 
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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