[Wien] band character plotting with eece
Peter Blaha
peter.blaha at tuwien.ac.at
Thu Apr 25 07:04:22 CEST 2024
This is enough.
Don't use -eece in lapw2. This would "destroy" your scf solution, since
the dmats,... would come from a wrong k-mesh.
Am 24.04.2024 um 21:50 schrieb Pavel Ondračka:
> Dear Wien2k mailing list,
>
> is this enough for spaghetti with band character for onsite hybrids?
>
> x lapw1 (-up/-dn) -orb -band
> x lapw2 (-up/-dn) -qtl -band
>
> or do I need also -eece -orb switches for lapw2?
>
> Best regards
> Pavel
>
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