Dear all, In order to compare two different system, I tried to shift the Fermi-level to zero. For example, the 2p orbital of O2 and O2-, the fermi level is -5.9199 and 3.0895 eV separately. I shift the 2p of O2 by 5.9199 eV and O2- by -3.0895 eV. But it seems not so good because the difference is a little large I think, the whole 2p orbital is shifted two the higher energy by 2 eV (too large). I paste the picture here I will be very appreciate if any one can give me some tips about this. Thank you very much. Best wishes Gao Min
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