[Wien] Band sort criteria in scf2 files
Sergio Castillo Robles
sergio.castillo at uabc.edu.mx
Tue May 15 01:12:25 CEST 2018
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.
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