[Wien] GLLB Fermi-Energy

[Wien2k User]

Dear prof. F. Tran

here are the steps followed:

1- runsp -orb -p -gllb
2- run_deltagllb_lapw -sp -orb -p
3-restore -f gllb (as you suggested to plot the band structure)
when I arrived at this last step, I found two * .scf files


Le sam. 8 sept. 2018 à 10:12, <tran at theochem.tuwien.ac.at> a écrit :

> How were generated these two scf files?
>
>
> On Saturday 2018-09-08 05:57, Wien2k User wrote:
>
> >Date: Sat, 8 Sep 2018 05:57:08
> >From: Wien2k User <wien2k.user at gmail.com>
> >Reply-To: A Mailing list for WIEN2k users <
> wien at zeus.theochem.tuwien.ac.at>
> >To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> >Subject: [Wien] GLLB Fermi-Energy
> >
> >Dear Prof. F. Tran;
> >After a GLLB calculation I found two fermi energy values that come from
> >case.scf and gllb.scf respectively
> >Which one I have to take to insert it in the cas.insp file?
> >
> >Thank you in advance
> >
> >
> >
> >
> _______________________________________________
> 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/20180908/5dee4cd7/attachment.html>