mix the charge density and density matrix separately
Posted: Thu May 14, 2015 10:20 pm
Dear all,
I want to freeze the charge density but just relax the density matrix. Can this be realized in VASP?
Maybe just set the mixing parameters separately for charge density and density matrix. Can VASP do that?
Regards,
Sai
I want to freeze the charge density but just relax the density matrix. Can this be realized in VASP?
Maybe just set the mixing parameters separately for charge density and density matrix. Can VASP do that?
Regards,
Sai