[Wien] problem in bnad structure plot of spin orbit calculation

Soumyajit Sarkar soumyajit at bose.res.in
Wed Jul 29 06:46:40 CEST 2009


Dear users

I am doing some scf calculation including spin orbit, the output is okey. The system has some finite
orbital moment (~ 0.1), but the band strucutre does not show any kind of spilitng due to the spin
orbit effect. Band structure is exactly same for GGA and GGA+SO calculation. Can any one please tell
what is the procedure to calculate band structure for spin orbit calculation .
I have tried in exactly the same procedure as it is described in user guide.
Thanks in advance

Soumyajit Sarkar



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