[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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