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
Wed Jan 17 06:13:57 UTC 2018


Hi Matt W

I have a very basic question regarding the PDOS in cp2k. How can we find 
out whether the Fermi level is shifted in PDOS file? And second question is 
that how can we say that Fermi level is shifting either towards +ve region 
or negative region in the PDOS plot? I have PDOS plot but i am not able to 
find out Fermi level. Can you help me in this regard? I am attaching 
snapshot of the PDOS plot also.

Inconvenience caused is regretted!
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