[Wien] (no subject)

[genghua]

Dear everyone
      when I caculate doped anatase Tio2 with B,I found that there are intense
optical absorption at 0~1eV ,that is uncorrect! which is in bandgap region.
   
      
      so I anylyzed the case.output2,I found there is bandgap betwween 188 band and 189,there are 313 band .but why  intense optical absorption at 0~1eV ? in case.injoint,I select lower and upper band index with 1,313.is it right?

 density of state is very similar to undoped anatase,although the intensity 
of density of state become higher than undoped anatase.

     what shoud I do ?could you offer me some  suggestions?
　　　　　　　　genghua
　　　　　　　　hgeng at iccas.ac.cn
　　　　　　　　　　2004-02-09