Hi, I noticed that the MAGMOM value in INCAR for Co is 5 for GGA+U optimizations and 0.6 for new R2SCAN optimizations for Co(SbO3)2-mp-21908. Is there any particular reason for this change?
Tagging @rkingsbury here to see if he can help with this. Thanks!
I’m not sure about this. My guess is that the GGA+U calculation had been run through our magnetic orderings workflow (a separate workflow that determines the ground state magnetic configuration), but that was either done after the R2SCAN optimization, or the MAGMOM information was not taken into account for the R2SCAN.
@munrojm or @arosen - do you have anything to add regarding how MAGMOMs are set in the R2SCAN pipeline?
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