[Pw_forum] Hartree Fock
salazar at physics.utoronto.ca
Mon Feb 6 07:56:39 CET 2012
Hello Dear developers/users of Quantum Expresso,
I would like to know if I can use Quantum Expresso to perform an "old-fashion" Hartree–Fock calculation of the ground state of a periodic crystal (I am interested in graphene).
Would it be sufficient to use the Hartree-Fock and Hybrid functionals described in Section 18.104.22.168 of
Actually I would be interested in *all electron* Hartree-Fock calculations.
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