Dear all, I am interested in the possibility of doing Hartree-Fock calculation with quantum espresso. I saw that HF calculations are performed basically in the same way as a hybrid functional calculation. I wonder if the HF calculation, as implemented in QE, are equivalent to a "standard" HF calculation (i.e. using Green's functions or solving self-consistently the Hartree-Fock eigenvalue equations), and if not what are the difference between the two methods.
Thanks in advance Stefano _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
