[Wien] How to set U in LDA+U when computing the energy gap of HgTe

[心 陈]

Dear users:
       An article in PRB says: the energy gap of HgTe is -0.3  .I use LDA+U to plot the energy band through adjusting U.But I didn't find the overclapping of maximum valance band and the minimum conductivity band.They are just combining.I think the energy gap is zero.But not -0.3.   What could I do? The method of LDA+U is well for HgTe or HgSe?What'the value of U?
       Thank you for advance.
 
                                                                                Mary
 
 
 		
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