[Wien] GLLB Fermi-Energy

[Gavin Abo]

So, are you saying gllb.scf was generated by "save_lapw gllb"?  If so, 
the "save_lapw gllb" is the save performed after your step 1 below 
(corresponding to "save_lapw solid_GLLB" in [1]) or your step 2 below 
(corresponding to save blablabla in [1]).

[1] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17935.html

On 9/8/2018 7:12 AM, Wien2k User wrote:
> 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 
> <mailto: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
>     <mailto:wien2k.user at gmail.com>>
>     >Reply-To: A Mailing list for WIEN2k users
>     <wien at zeus.theochem.tuwien.ac.at
>     <mailto:wien at zeus.theochem.tuwien.ac.at>>
>     >To: A Mailing list for WIEN2k users
>     <wien at zeus.theochem.tuwien.ac.at
>     <mailto: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
>     >
>     >
>     >
>     >
>
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