LORBMOM and band structure calculations
Posted: Tue Jan 27, 2009 1:43 pm
Hi
I performed calculation of the PbTe taking into account spin orbit coupling.
I've read on a forum that parameter LORBMOM = TRUE affect whether the orbital moments are *printed out* in OUTCAR.
But during bands structure calculations I noticed that this parameter affects on band gap and conduction bands.
Can somebody tell me how it is possible?
Thanks
Marta
I performed calculation of the PbTe taking into account spin orbit coupling.
I've read on a forum that parameter LORBMOM = TRUE affect whether the orbital moments are *printed out* in OUTCAR.
But during bands structure calculations I noticed that this parameter affects on band gap and conduction bands.
Can somebody tell me how it is possible?
Thanks
Marta