[Pw_forum] DOS at Ef

[Ngoc Linh Nguyen]

Olga Sedelnikova wrote:
> Dear Users,
>
> I need to calculate the value of DOS at Ef. But I could not find it in 
> the out files of pw.x
Are you sure? In pw.x calculated output file (both scf and relax), you 
can see the Fermi energy value by typing grep -e "Fermi energy" 
output_file_name.out
> (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.

Good luck,

Linh
>
>
> Best regards,
>
> Olga Sedelnikova
> ------------------------------------------------------------------------
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>   


-- 
-----------------------------------------------------
 Nguyen Ngoc Linh, PhD Student
 c/o:   SISSA & CNR-INFM Democritos,
        via Beirut 2-4, 34014 Trieste (Italy)
 email: nnlinh at sissa.it
 phone: +39 04 03787 319
 skype: ngoclinh84phys
-----------------------------------------------------
"The physics is theoretical but the fun is real"