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Dear All,
I have a doubt. I want to align the band edges of one slab with respect to the vacuum level, i.e. get the absolute value of VBM Energy.
I wonder if to do this I should both consider the alpha+bet value from OUTCAR and the value obtained from LOCPOT (LVHAR=.TRUE.), i.e. for the case of VBM

1) E(VBM) = E(VBM) + (alpha+bet) + Evac(from LOCPOT file)

or simply the value of LOCPOT (LVHAR=.TRUE.)

2) E(VBM) = E(VBM) + Evac(from LOCPOT file)

If the latter case is the correct one, as I suppose, what is the meaning of (alpha+bet) for this kind of calculation?

Thanks a lot,
Giacomo

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