[QE-users] Charge density difference of two structures that are a bit different (cell+geometry)

[Ariadni BOZIKI]

Dear all,

I am trying to calculate the charge density difference of two structures. The two structures are a bit different in the sense that the second one is a bit distorted (cell+structure) with respect to the first one, but they have the same number of atoms. I searched in the mailing list, and I could not find a thread where you address this issue. Please correct me if this has already been addressed. More specifically, I was wondering if there is a way to predefine the same grid for both structures even that they are a bit different with respect to each other, so that the charge density difference calculation can be performed successfully.

Thank you in advance.

Sincerely yours,

Ariadni Boziki
University of Luxembourg
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