[Wien] GLLB-SC potential

Wien2k User wien2k.user at gmail.com
Sun Dec 2 22:45:10 CET 2018


Dear Professor;
I used this file but I got the following errors:
:command not found.
:command not found.
:command not found.
set: Variable name must contain alphanumeric characters.
I tried to see what the error was but I could not correct them

Le dim. 25 nov. 2018 à 18:12, <tran at theochem.tuwien.ac.at> a écrit :

> Dear WIEN2k users,
>
> For those who are interested in the GLLB-SC potential for
> the calculation of the band gap, I attached a modified
> version of the script run_deltagllb_lapw (used for the
> calculation of the discontinuity). It is necessary to use
> this new version of the script if the band structure or DOS
> is calculated just after run_deltagllb_lapw was executed,
> otherwise the results (for the BS or DOS) will be wrong.
>
> For more details about the GLLB-SC potential, see the
> user's guide or our recent paper:
>
> https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.2.023802
>
> F. Tran_______________________________________________
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> Wien at zeus.theochem.tuwien.ac.at
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