Dear all, I have the following fundamental questions coming to my mind when recently doing Wien2k SOC calculations:
Is the SOC contribution in a DFT calculation negative definite? Or more precisely speaking, is E_{noSO} - E_{SO} always >0 ? I just realize that the above statement seems to be true for all SOC calculations I have done so far. I would like to ask other people's experiences, and hope someone may be able to formally justify such a statement if it is indeed true. Thanks, Chiung-Yuan