Noco+SOC is broken (was:Why sign minus is assigned to the y-component of the orbital moment in orbMagMoms.f90 ?)
Dear FLEUR developers, please have a look to the file orbMagMoms.f90 in the cdn_mt directory, because it says:
38 slxmom = clmom(1,iType,1)+clmom(1,iType,2) 39 slymom = clmom(2,iType,1)+clmom(2,iType,2) 40 slmom = clmom(3,iType,1)+clmom(3,iType,2) 41 42 IF (any(noco%l_unrestrictMT)) THEN 43 szglobal=clmom(3,iType,1)+clmom(3,iType,2) 44 sxglobal=clmom(1,iType,1)+clmom(1,iType,2) 45 syglobal=clmom(2,iType,1)+clmom(2,iType,2) 46 END IF 47 48 IF (noco%l_noco) THEN 49 thetai = nococonv%beta(iType) 50 phii = nococonv%alph(iType) 51 52 !Fix of sign of moment in first variation calculations. Perhaps it would be better to understand this :-( 53 !slxmom=-1*slxmom ** 54 slymom=-1*slymom ** 55 !slmom=-1*slmom
Why opposite sign is assigned to slymom in line 54?
With this switch, I am getting Chiral orbital moments, while correct directions of the orbital moments are expected.