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Dear friends,

I'd like to consider spin-orbit coupling using VASP. I have written the following INCAR and I've run it using VASP4.6. But the results seem to be wrong. Please help me if something is wrong.

Thanks,
Farzaneh

IBRION = 1
NSW = 0
ENCUT = 500
LPLANE = TRUE
ISMEAR = 0
SIGMA = 0.1
ICHARG = 11
LSORBIT= TRUE
SAXIS = 0 0 1
ISYM = 0
ISIF = 2
LREAL = False
PREC = High
IALGO = 38
NELMIN = 4
EDIFF = 0.1E-5
EDIFFG = 0.1E-3
NELMDL = -4
GGA = PS
NGX = 34
NGY = 34
NGZ = 124

I think maybe it is because you have not specified MAGMOM tag in x.y.z for each atom.

More information are needed about what you consider as wrong in the output. But I can immediately see that you are using PBEsol which was not implemented in VASP 4.

Mostafa