Dear SIESTA User, Recently I am getting some confusing results by using SIESTA. While plotting a band structure I am getting a band gap which is quite large. However, when I am trying to plot its corresponding total partial density of states (PDOS), I can clearly see that there is no existence of any band gap. But interestingly the component PDOS are giving the required band gap. The problem is with the total PDOS. Do any of you have any idea about these kinds of results...
-- *Dr. Suman Chowdhury* *Assistant Professor Dept. of Physics, Bangabasi College Kolkata- 700009, West Bengal, India.* * Ph no-+91-9830512232*
