[Pw_forum] defect state

[kazempoor at ph.iut.ac.ir]

Dear All
I investigate the oxygen vacancy in TiO2.When I plot the band structure I saw that new band falls very very closed to the CBM,but this is not clear from Dos. On the other hand for charged oxygen vacancy the defect state fall in the conduction band that is not obvious   to detect.How can I find and see which one is defect state?It is nessecary to mention that the states fall above the conduction band might have empty occupations(for example o++ in TiO2).
I would be most grateful if anyone tell me what is the true method  for observation of defect states.
thanks  a lot
Ali Kazempour
Physics Department, Isfahan University of Technology