[Wien] SO

Karima Karim karimaphy at yahoo.fr
Fri Jun 24 12:32:22 CEST 2016


Dear all
 I have calculated the band structure of PaO2 in the antiferromgnetic with GGAand with GGA+U I get a metallic 
when, I use GGA+U+SO, I got a very good value for gap between a maximum band valence and minimum band conductor , Iget a semicondictor   .
I HAVE question about the  spin orbit coupling (CSO) 
Is the reason for the a gap is  spin orbit coupling ( spin orbit gives us the gap) 
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