Density of State of Insulator

ljludwig · Post by **ljludwig** » Wed Jun 20, 2012 7:03 pm

Hi！In order to calculate the electronic density of state of an insulator, I followed the help file of "prtdos":

First do an scf calculation, then set iscf=-3 and prtdos.

However, even if the scf calculation leads to a band gap, and a good plot of band structure, it does not show a gap in DoS.

Is there anything possibly wrong?

What's more, another issue: the prtdos =1,2 have quite different features. Which of them shall I trust?

Thank you very much in advance.