Dear User and expert, I am doing GGA+U calculation of AFM NiO. I am using the structure file given in SRC and NiO.inorb as mentioned in user guide.
my NiO.scf file showing gap around 3.7 ev but when i plot the dos gap is showing around 1.3 ev. i used following steps for dos calculation. x lapw1 -up x lapw1 -dn x lapw2 -qtl -up x lapw2 -qtl -dn x tetra -up x tetra -dn am i missing something? any help will be appreciated. Thanks, *Soumen Kumar Bag* *Physical Science Dept.* *IISC*
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