[Pw_forum] Hartree-Fock in quantum espresso

stefano stefano.di-sabatino at polytechnique.edu
Wed May 11 00:24:04 CEST 2016

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


More information about the users mailing list