Dear all,
I was wondering if hybrid functionals are at all or to what extent implemented in the ABINIT code? Is it possible to perform Hartree-fock type calculations for optical properties of solids? (My particular interest is bandstructure, dielectric function etc. calculations for metals.) I found some hints of the PBE0 potential in one of the papers but some deeper information would be nice.
Thank you in advance!
Deniz
Hybrid functionals
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Alain_Jacques
- Posts: 279
- Joined: Sat Aug 15, 2009 9:34 pm
- Location: Université catholique de Louvain - Belgium
Re: Hybrid functionals
Hello Deniz,
If you are referring to a François Jollet 2009 PRB paper, look at test v5t18 structure for clues ... he added it by himself.
Kind regards,
Alain
If you are referring to a François Jollet 2009 PRB paper, look at test v5t18 structure for clues ... he added it by himself.
Kind regards,
Alain