[Wien] optic with hf

pavel.ondracka at email.cz pavel.ondracka at email.cz
Mon Jun 15 20:37:56 CEST 2015

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150615/69c24daf/attachment.html>

More information about the Wien mailing list