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 5.1.0.6 of http://www.quantum-espresso.org/user_guide/node26.html#SECTION00061060000000000000 ? Actually I would be interested in *all electron* Hartree-Fock calculations. Best regards, Salazar -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120206/77f07cc3/attachment.htm
