[Wien] energy scale zero and average IS-potential

[David Sedmidubsky]

Dear WIEN2k users,
In Wien Archives I found that the energy scale for DOS and Ef should be
referred to the average potential in the interstitial region which
defines the zero energy. If it is a volume average, it should be equal
to V(Gama) component of the potential Fourier expansion given in
case.vtotal. Thus I would expect that I can get the work function by
taking V(Gama) and adding Ef to it. For metal aluminium I get
V(Gama)=-0.708 Ry and Ef=0.538 Ry, resulting in a work function 2.31 eV
compared to experimental 4.28 eV. Even worse, for most actinide
compounds I calculated, Ef would lie above vacuum level (provided
potential is referred to that level). 
Can anybody explain me where is the problem?
Thank you!
With best regards,
David


David Sedmidubsky
Institute of Transuranium Elements
EC - JRC
Karlsruhe