[Wien] charging effects - manipulation of the valence electrons and background charge

[Martin Gmitra]

Dear WIEN2k users,

I have found confusing previous discussions on charging effects in the
mailing list.
Therefore, I would like to ask you a couple of the following questions.

1. Does the charging effects (manipulation of the valence electrons not core
hole) hold in
general valid for any system?

2. Is it always necessary to preserve a cell charge neutral? Is it therefore
obligatory when
one puts more/less valence charge (increase/decrease number of valence
electrons in case.in2)
decrease/increase background charge (in case.inm)? I have found that playing
with the
background charging leads to the :ENE WARNING in case.scf.

3. Is it possible to consider non integer charge contribution?

Thank you in advance.
Best regards,
Martin Gmitra
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