I am predominantly a chemist researching electron energy loss spectroscopy, though have recently expressed some interest in spectral modelling. An area that perplexes me somewhat is applying broadening to a spectrum . For example, if I calculate a spectrum such that:
Energy Intensity
0...
I've been using CASTEP via materials studio but want to use it directly in linux. How do you go about compiling it ? I've got the disc darsbury sent me but teh readme file is inpenetrable. Help would be greatly appreciated. Thanks