DOS normalization factor  [SOLVED]

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antonio
Posts: 52
Joined: Tue Apr 23, 2013 6:16 pm

DOS normalization factor

Post by antonio » Fri Jun 21, 2013 5:49 pm

Dear all,

what are the units of the PDOS in the DOS_AT???? files ? I don't think they are simply states/energy because if I integrate the total DOS up to the Fermi level I get a value bigger than the number of electrons I have in the system.

Thanks a lot in advance for your kind reply.

best

Antonio

ljludwig
Posts: 77
Joined: Fri Jun 08, 2012 5:19 am

Re: DOS normalization factor  [SOLVED]

Post by ljludwig » Thu Dec 05, 2013 2:41 am

The DoS uses several smearing technique, which may make it "over-complete", like coherent states. Thus I personally think it is quite OK if you normalize them using the total # of electrons in the system.

antonio
Posts: 52
Joined: Tue Apr 23, 2013 6:16 pm

Re: DOS normalization factor

Post by antonio » Thu Jan 23, 2014 4:58 pm

OK, thanks a lot for your answer.

Best

Antonio

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