I think epsilon.x assumes that the dipole element of x can be computed using [H,x]=p\hbar/m. The exchange potential is nonlocal, so its commutator with x will yield an additional term that is not accounted for. Not sure how important it is in practice. Do I remember correctly that epsilon.x also does not take into account the nonlocal pseudopotential contribution?
Paolo On Wed, Apr 8, 2020 at 4:29 PM Manu Hegde <[email protected]> wrote: > Hi Michal, > Yes, it is possible.I did use both supercell and hybrid calculations. It > did work. > Manu > > On Wed, Apr 8, 2020 at 10:08 AM Michal Krompiec <[email protected]> > wrote: > >> Hello, >> Is it possible to use epsilon.x on results of a calculation with a >> hybrid functional (supercell, gamma point only)? >> >> Thanks, >> >> Michal Krompiec >> Merck KGaA >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) >> users mailing list [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users >> > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > 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 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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