This is the fdf that I have used... On Thu, Jan 25, 2018 at 11:40 AM, Nick Papior <nickpap...@gmail.com> wrote:
> Dear Suman, > > Without data (plots) or fdf file it is very difficult to help you. > It could be that your smearing parameter is too large. > > > 2018-01-24 15:13 GMT+01:00 Suman Chowdhury <sumanchowdhur...@gmail.com>: > >> 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.* >> >> > > > -- > Kind regards Nick > -- *Dr. Suman Chowdhury* *Assistant Professor Dept. of Physics, Bangabasi College Kolkata- 700009, West Bengal, India.*
SiC.fdf
Description: Binary data
