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.
Thank youMax3_Ph45.zipv26_Ph45.zip