[Pw_forum] How I can simulate charged slab with surface charge by QE

[yavar pour azar]

Dear QE users



1-I want to simulate the charged oxide semiconductor slab, with desired
surface charge.  if choosing different values for the "tot_charge=...." is
enough, for do this?
or there is more consideration.............

I think  if we introduce excess charges by "tot_charge" utility in slab ,
after scf they should be localize on the surface, as the "surface charge"
is this true?

Thanks in advance.


Yavar Taghipour Azar
Physics Group, AEOI
Tehran, Iran
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