[Wien] printing Kohn-Sham orbitals
Peter Blaha
pblaha at theochem.tuwien.ac.at
Fri Jun 8 22:08:27 CEST 2018
Use lapw7. Check the UG about the input.
PS: What ever the first 10 KS valence orbitals are ??? You have bands,
so which k-point ....
Am 08.06.2018 um 11:17 schrieb Bon, Marta:
> Dear Wien2K users and developers,
>
> If I want to plot the first 10 KS valence orbitals of a system, what
> should I do?
>
> Are they automatically written in some of the output files?
>
> I have seen there is lcore for the core states. Is there something
> similar for plotting the valence ones?
>
> Thank you very much.
>
> Best
>
> Marta
>
>
>
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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