If you call function stop_exx(), the exchange term will not be computed On Fri, Feb 19, 2021 at 3:30 PM Andrew Xu <[email protected]> wrote:
> Hi users, > > I'm running a hybrid functional calculation, and would like to access the > Hamiltonian (applied to an arbitrary vector) without the exact-exchange > part. Is there a method to do this? > > I know the function h_psi applies the full Hamiltonian to an arbitrary > vector. > > Best regards, > Andrew > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
