[Wien] (no subject)

[Javad Hashemifar]

> who know how to decompose the electron density, for example, I just want
> to plot the electron density around the top of the valence vand.

Hello yushan
by using the "ALL" fermi switch in file case.in2 you can calculate the charge
density in your intersted energy range. by using "ALL" as the fermi switch, the
parameter eval in the case.in2 corresponds to the Emax, then the charge density
will be calculated in the energy window of [Eman, eval] and both of these
parameters can be changed in file case.in2.

regards,
Javad Hashemifar



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Javad Hashemifar                                      phone : ++49-30-8413 4804
Permanent : Physics Department, Isfahan University of Technology, Isfahan, Iran
Current : Fritz-Haber-Institut der MPG, Faradayweg 4-6, D-14195 Berlin, Germany
e-mails:  hashemi at fhi-berlin.mpg.de          &          hashemifar at ph.iut.ac.ir
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