Band Structure
Posted: Mon Dec 24, 2012 1:48 pm
Hi,
i wana to calculate band structure with spin orbit coupling.i can not do correct calculation beacase my figure of band structure is incorrect.
i need some information about this questions:1-band structure with spin orbit i need 3 dataset (in first scf calculation.2-band structure-3 band structure with spin orbit)is it correct?2.is it nessessory to use spin variables in first dataset?
Would you please guide me?
Best regards.
Mina.
i wana to calculate band structure with spin orbit coupling.i can not do correct calculation beacase my figure of band structure is incorrect.
i need some information about this questions:1-band structure with spin orbit i need 3 dataset (in first scf calculation.2-band structure-3 band structure with spin orbit)is it correct?2.is it nessessory to use spin variables in first dataset?
Would you please guide me?
Best regards.
Mina.