plotting Density Of States

Nikita vakul... at gmail.com
Thu Jul 19 05:29:34 CEST 2012


Dear all cp2k users and developers,

I have a question regarding plotting of DOS obtained from CP2K. When 
plotting the data from files containing DOS the plot looks very sharp (like 
any spectra obtained from any chemistry packages and in order to make 
spectra look nice and more naturally one should smooth them by using 
gaussian broadening functions or similar). Could you please tell me if one 
needs to smooth obtained DOS with gaussians or similar functions or not? 

Thank you in advance,
BR

Nikita
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20120718/f5847ac1/attachment.html>


More information about the CP2K-user mailing list