<div dir="ltr"><div dir="ltr">I quit the group by inattention, here is the original and the response of plotting DOS by M.Marco ------------------------------ Mohamed: Dear all cp2k users, I have a question regarding plotting of PDOS obtained from CP2K. When plotting the data from files containing PDOS the plot looks very sharp. Is There a code to make spectra look nice, more naturally and smooth ? Thank you in advance, Mohamed ------------------------------- Hello, Check out the python scripts provided by Dr. Deskins on the following link: <a href="http://wiki.wpi.edu/deskinsgroup/Density_of_States" target="_blank">http://wiki.wpi.edu/deskinsgroup/Density_of_States</a> get-smearing-pdos.py script Regards, Marco ------------------------------ Thanks Marco for your reply, I tried with this script, but I do not get the output file 'smeared.dat'. is that this script is available with all versions of cp2k? or I need to introduce something to the PDOS section thank you very much --------------------------------- Hello, You need to have the other python script (pdos.py) in the working directory in which you are running the get-smearing-pdos.py script. For example in Linux it would be something like: mv pdos.txt pdos.py mv get-smearing-pdos.txt get-smearing-pdos.py <pre>python get-smearing-pdos.py ALPHA.pdos BETA.pdos </pre> Hopefully that works. Regards, Marco -------------------------- it works very well, thank you very much. </div></div>