Qbox List

Hello,

Is there anyway to generate core charge density data in Qbox?

Thank you,
Jamoliddin.

[topic moved to the Qbox Users Discussion]

Hello Jamoliddin,
Qbox does not generate core densities. (it uses them if they are available in a pseudopotential file, for potentials that include non-linear core corrections). The core density can be obtained from programs that generate pseudopotentials, such as the ONCVPSP program of D. Hamann.
Best,
Francois

Thank you.