Dear All,

          I have calculated the density of states of a semicondutor. I have tried to correlate the bands with the corresponding s or p states. I had come across several papers where they are explaining so and so eV bands comes from some states. For ex: A paper explained 0.4 to 18 ev bands consists from 5s and 5p states. My calculation results doesn't give me corresponding states. I have tried all different options but no luck. None of the options explains which band correspond to particular states. It will be of great help if you guys help me out .

Thanks