Hi dear Wien users,

I am running the latest version of wien2k, 17.1

I would appreciate any help you could give me:

I was wondering what is the criteria wien2k uses to sort the bands in
case.scf2 files and how are they coupled to the selected orbitals in lstart
step?

Do i have to sort the orbitals by energy to know the corresponding band in
scf2 files?

Thanks for your time. Best regards.
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to