My Community

Hi there

I performed some calculations of the magnetic anisotropy of nanowires.

I did this by turning on spin orbit with

LNONCOLLINEAR = .TRUE.
LSORBIT = .TRUE.

and noted the total energy in OUTCAR for different magnetization directions (the difference then giving the magnetic anisotropy energy).

However, I did *not* include LORBMOM = .TRUE. in the INCAR.

I understand that direction-dependent orbital moments go hand-in-hand with magnetocrystalline anisotropy. It would be nice to have these moments but I can live without them.

My question is this: Does the omission of LORBMOM = .TRUE. affect the total energy that I obtain? Or does LORBMOM only affect whether the orbital moments are *printed out* so that the total energy is unaffected?

Basically I need to know whether or not the anisotropy energies are inaccurate because I left out LORBMOM.

Thanks

Ben

LORBOM just affects whether the local orbital moments are printed out or not, the results themselves do not change.