[Wien] Electron density

[Peter Blaha]

> when calculating electron density, after having set the lower energy cut-off 
> for defining the range of occupied states,  one can choose two ways: 1)using
> option  TETRA  or 2)  using option ALL with  eval = 0. They should give the 
> same result.
> Is that correct?

No. TETRA calculates the correct EF, while option ALL takes all states up 
to the energy 0 Ry (but this is NOT EF !!!; only in DOS plots in eV all 
energfies are shifted such that EF=0)

                                      P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------