plotting PDOS

mohamed khuili khuili... at
Tue May 13 10:30:45 UTC 2014

I quit the group by inattention, here is the original and the response of  plotting 
DOS by M.Marco

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,




Check out the python scripts provided by Dr. Deskins on the following link: script



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



You need to have the other python script ( in the working directory 
in which you are running the script. 
For example in Linux it would be something like:
mv pdos.txt
mv get-smearing-pdos.txt

python ALPHA.pdos BETA.pdos  

Hopefully that works.


it works very well, thank you very much.

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