[Wien] Constrained DFT for excited state calculations

[Seyed Javad Hashemifar]

Dear Wien2k developers and users

Is  Wien2k able to perform constrained DFT calculations for excited 
states study?

More specifically, I want to empty the Nth state and occupy the (N+1)th 
level.

Bests

S. Javad Hashemifar

-- 

-------------------------

S. Javad Hashemifar, PhD
Professor, Department of Physics
Isfahan University of Technology, Iran
Personal web page: https://hashemifar.iut.ac.ir [1]



Links:
------
[1] https://hashemifar.iut.ac.ir/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20230614/e58d1e52/attachment.htm>