How to plot Electronic Charge Density and HOMO-LUMO using SIESTA tool ?

 

This lecture deals with the the application of siesta tools to plot electronic charge density and HOMO-LUMO. The use of rho2xsf is discussed in details alongwith some glims of DENCHAR post processing tool for charge densty analysis. The application of denchar for charge density plot was already detailed by Dr Arun Kumar https://www.youtube.com/watch?v=3sYsO... ). Only the use of xcrysden has been discussed as ploting tool, as the instalation process of xcrysden has already been included in previous video. Some new tools like aurgustLab ( http://www.arguslab.com/arguslab.com/... ) for HOMO-LUMO ploting and Panoply ( https://www.giss.nasa.gov/tools/panoply/ ) for charge density ploting of netCDF file, are also introduced. The details application one can learn from related help files.