Hello,
I have been working with DFT (GGA) in QuantumATK, and now I need to perform DFT+U calculations. Since I am very new to DFT+U calculation, I do not have an idea of the exact value of U. I need the value of U for the Pd atom. Can anyone suggest me how to calculate U or provide me with the exact value for the Pd atom.
Thank You in advance.