[Wien] optic with hf

[pavel.ondracka at email.cz]

Adding -hf switch to joint did the trick, works like a charm now.
Thank you
Pavel

---------- Původní zpráva ----------
Od: tran at theochem.tuwien.ac.at
Komu: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Datum: 15. 6. 2015 21:47:49
Předmět: Re: [Wien] optic with hf

"Hi,

You need -hf for joint as well: x joint -hf

F. Tran

On Mon, 15 Jun 2015, pavel.ondracka at 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 at 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"
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150616/c83ff750/attachment.html>