Dear All,
I have performed non magnetic GGA+U+SOC calculations with U =6ev. In the
DOS plots in the region between 0 and -1 eV there are three very sharp DOS
peaks in both spin up and spin down regions because of the contribution of
Rare earth 4f state. But when I compare the DOS plots with the
ba
I am pretty certain that you have done this wrong, double counting the +U.
Unless something has changed, the default is to combine the +U with SOC via
x lapwso -orb, no "-orb" in lapw1. Check how this was done for the scf
iteration (in :log).
_
Professor Laurence Marks
"Research is to see what
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