[QE-users] Variable for Hamiltonian without exact-exchange

[Paolo Giannozzi]

If you call function stop_exx(), the exchange term will not be computed

On Fri, Feb 19, 2021 at 3:30 PM Andrew Xu <andrewaccount at gmail.com> 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
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-- 
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
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