[Wien] Bands above the Fermi edge

[Rocquefelte]

Dear Lukasz,

You simply have to do an scf calculation and after saving your converged 
calculation:

1/ change the emax (in rydberg) value in case.in1 file
2/ generate the kmesh you want for the band structure usign Xcrysden 
(and the wien interface)
3/ run something like:  x lapw1 -band
This step will generate the empty states you want up to emax
4/ follow the wien interface x lapw2 -qtl -band / x spaghetti

Regards

Xavier


Lukasz Plucinski a écrit :
> Hello,
>
> I need to calculate band structure up to 20 eV above the Fermi edge.
>
> Could you please let me know which parameters in initialization, SFC, 
> and Bandstrucure should be increased to make this properly ?
>
> Regards,
> Lukasz
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