[Pw_forum] Hartree Fock

Cuauhtemoc Salazar 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  of
http://www.quantum-espresso.org/user_guide/node26.html#SECTION00061060000000000000 ?

Actually I would be interested in *all electron* Hartree-Fock calculations.

Best regards,
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