[Wien] Fermi level of band plot

[徐远骥]

Dear WIEN2k users：


    When I plot band structures in some cases， the value of the Fermi level ':FER' are not the same in case.scf and case.scf2(up). In some cases, the difference can be get large to 0.1 eV. 
Which one should I need to use ?


    In my understanding, the ':FER' in case.scf should be more precise, because we using all the k-points to calculate the Fermi energy. However, in band plot(-band) mode, we only using the k
point along high-symmetry path. In fact, I don't know how to calculate Fermi level in case.scf2(up) in band plot mode.


    What makes me confusing is: in one semiconductor type material calculation, using scf2 Fermi energy can give a nice gap. But the Fermi energy in case.scf will causing a little touch of Fermi level to the top of valence band.




Best regards!
   
   
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