[Pw_forum] Efermi in band structure calculations

[Sanjeev Gupta]

you have to give small smearing.

best
SKG

On Thu, Nov 29, 2012 at 9:54 AM, C <correlation at tut.by> wrote:

>  hm... there is no 'Fermi' in scf.out file
>
> and therefore grep Fermi scf.out (of course I use here  the file name used
> in my calculations)
> does not give me anything
>
> maybe I need to add some parameter to the input file before calculations
> to get Efermi in  the output?
>
> ___
> Sergey
>
>
> On 11/29/2012 2:27 AM, zahra vatankhah wrote:
>
> 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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Dept. of Physics
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