[Pw_forum] Hartree-Fock in quantum espresso
stefano.di-sabatino at polytechnique.edu
Wed May 11 00:24:04 CEST 2016
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
Thanks in advance
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