[Wien] Bandstructure not matching DOS

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Tue Jul 8 11:38:29 CEST 2003


> > Did you input the correct Fermi energy to Spaghetti?
>
>   The value we are using is taken from the case.scf.

In that case, you have to put the energy switch to Ry (not eV). Did you do
that ?

### Data configuration
-14.0  8.0  2                      # energy range, energy switch (1:Ry,
2:eV)   <==========
1      0.xxxx                      # Fermi switch,  Fermi-level (in Ry
units)

Stefaan




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