[Pw_forum] charge ordered state

[hanghui chen]

To PWscf community,
     I have a general question. I want to calculate a charge ordered state
of nickelates. I specify two types of Ni atoms and relax the structure. It
turns out that since the starting potential is from atoms, the two types of
Ni have the same initial guess of charge density (correct me if I am wrong
on this) and after relaxation, the two types of Ni have almost the same
charge density (all the symmetries are intentionally broken). I wonder
whether there is a way to give different charge density initial guess on the
two types of Ni atoms in QE?
    Thank you very much.

Hanghui Chen
Department of Physics
Yale University
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