ABINIT Discussion Forums

Dear ABINIT Dev. & Users,

I would like to know if it is possible to perform exact "old-fashion" Hartree-Fock calculations in ABINIT, preferably within the PAW formalism.

My interest is to compute the all-electron ground state from a Hartree-Fock calculation, where the exchange and correlation integrals are evaluated explicitly.

Thanks,
T'émok

Hello,

Look into the GW variables :
http://www.abinit.org/documentation/helpfiles/for-v6.8/input_variables/vargw.html#gwcalctyp

gwcalctyp 5, 15 or 25 should give you what you want.

David