The confusing of the results of DOS calculated by cp2k (the Fermi level is not in the band gap)

Rizwan Nabi rizwan... at gmail.com
Tue Jan 16 05:53:13 UTC 2018


Dear 
I am also trying to get clear pdos plot from the cp2k consultations but i 
am facing some problems. Would you please tell me how you get all the three 
i.e k1, k2 and k3 in one plot together, since program prints here in your 
case all the three pdos separately for individual atoms, similarly in my 
system five pdos files are printed, as my system is having 5 different 
atoms. Now i am bit confused how to get total pdos plot showing all the 
plots in one plot only. I am attaching pdos snapshot that i have got, 
please suggest me how to make it more clear and appealing. i have smeared 
them all and then plotted in origin-8.0 software. 
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