Hi, You need -hf for joint as well: x joint -hf
F. Tran On Mon, 15 Jun 2015, pavel.ondra...@email.cz wrote:
Dear Wien2k mailing list, what is the needed procedure to run optic after hybrid calculation? I've tried: x lapw2 -hf -fermi x optic -hf after "run_lapw -hf -p" succesfully finished (calculated :GAP value is looking good, when compared to plain PBE), however the dielectric function does not shift to higher energies (in comparison to the PBE run). Best regards Pavel Ondračka
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html