Hi, all: I have one question on the flag "tot_charge" in DFT+U calculations.
I need to do a calculation for doped systems by using the "tot_charge" flag and also need DFT+U correction. However, I am wondering whether or not the control of total charge in system via "tot_charge" flag is compatible with DFT+U formalism. Is there no problem conceptually or practically when I use both the tot_charge flag and DFT+U-related flags? Regards. J. Park Hongik Univ., Korea
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