Dear users,
I have tried to add GGA+U with different U values, but always get the same total energies. The steps that I did are as follows: 1. Do spin-polarized calculation. 2. setup spin-orbit coupling and orbital pot (DFT+U) together. 3. Run This procedure is very simple and straightforward, but I don't know why there is no difference for different U values. Would you please let me know what mistakes I have been making? All my best, Jihoon Park
_______________________________________________ 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