[Wien] Discrepancy between DoS plot and bandstructure plot for position of fermi level

[Pavel Ondracka]

On Mon, 2015-04-27 at 13:19 +0530, saurabh samant wrote:
> Dear WIEN2k users,
> 
> 
> I have done a spin-polarized GGA+SO+U calculation for an AB2S4
> compound. The fermi level at the dosplot is at the top of valence band
> but in the bandstructureplot the fermi level is at the middle of the
> valence and conduction band. But as far as I know it should be at the
> top of valence band. So,why is this discrepancy. Plz help to fix this
> problem. I am also attaching dosplot and bandstructure plot for your
> reference.
> 
>  
> 
> Thanking You,
> 
> Yours sincerely
> 
> Saurabh Samanta
> 
> Ph.D. candidate
> 
> NIT Raipur
> 
Dear Saurabh,

For spaghetti plot you need to insert correct Fermi energy (Ry) into the
case.insp file manually, so I guess you just inserted the wrong value
there. Check you scf files for :FER line.

Best regards
Pavel