[Pw_forum] DOS at Ef

[Giovanni Cantele]

> 
>> (neither for scf -  nor for nscf - calculations) or in the out files 
>> of PP codes (dos.x and projwfc.x.).
>> How can I find this value?
> Using dos.x, you can obtain the Ef value by using its definition basing 
> on number occupied electrons, but, in my opinion, this way is not such 
> accurate.



Can someone comment on that?
I would say that, based on the fact that dos.x is run
after an nscf calculation where a very dense grid in k space is used, this should be
more accurate than other approaches.

giovanni


--

Giovanni Cantele, PhD
CNR-SPIN and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910 - Fax:   +39 081 676346
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele
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