ABINIT Discussion Forums

Hello,

Is it possible to get charge density of a particular k-point, i.e. rho(k), in abinit?
Any advise is welcome.

Thanks,
Shu-Ting Pi
UC Davis

You have to be more specific with what you want:
|psi_n,k|^2(r) is the density in real space corresponding to a single band and k point.
It can be obtained from the cut3d utility.

The normal rho(r) is periodic, so it does not have a k dependency, but it does have a reciprocal space representation in a G vector sphere. This is not output in a simple way by cut3d, but is used internally in the abinit code.