[Pw_forum] Efermi in band structure calculations

zahra vatankhah vatankhah.z at gmail.com
Thu Nov 29 08:27:17 CET 2012


Hello,
The value of Efermi is in the output of scf run. you can type : grep Fermi
scf.out , (where scf.out is the name of the output file of scf run) and get
the Efermi.

Vatankhah

On Thu, Nov 29, 2012 at 4:28 AM, C <correlation at tut.by> wrote:

> Hello,
> I was going through tutorial about making band structure calculations.
> (it is available here
> http://people.sissa.it/~degironc/QE-Tutorial/tutorial_pwscf_ex.pdf)
>
> Could somebody please help me to understand how the author chose the
> values in these entries.
>
> Efermi > 6.337
> deltaE, reference E (for tics) 1.0, 6.337
>
>   __
> Sergey
>
>
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>
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