[Pw_forum] Projected Bands Using QE

Guido Fratesi fratesi at mater.unimib.it
Tue Apr 8 12:09:20 CEST 2014


Also: espresso/PP/examples/example02/reference/kpdos_dw.png
HTH
Guido

On 04/08/2014 10:26 AM, Thomas Brumme wrote:
> Using projwfc.x you can set the input parameter kresolveddos to .true.
>
>  From INPUT_PROJWFC.txt
>
> kresolveddos     LOGICAL
> Default:     .false.
>
>      if .true. the k-resolved DOS is computed: not summed over
>      all k-points but written as a function of the k-point index.
>      In this case all k-point weights are set to unity
>
> I never used this but this should be what you're searching for...
>
> Thomas
>
>
> On 04/07/2014 07:58 PM, Ajit Kumar Jena wrote:
>> Dear all,
>>             Can any one please help me, how to do atomic projections
>> for band structures like we do for  projected DOS. I am sorry if it is
>> very trivial .
>>
>>
>>
>> Thanks & Regards,
>> Ajit,
>> IIT Madras
>



More information about the users mailing list