Re: [Wien] optic with hf

Adding -hf switch to joint did the trick, works like a charm now. Thank you Pavel -- Původní zpráva -- Od: t...@theochem.tuwien.ac.at Komu: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at Datum: 15. 6. 2015 21:47:49 Předmět: Re: [Wien] optic with hf Hi, You need

[Wien] optic with hf

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

Re: [Wien] optic with hf

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