[Pw_forum] "orbital projected" band structure

Sharma SRK Chaitanya Yamijala sharmajncasr at gmail.com
Tue Sep 15 06:42:52 CEST 2015


Dear Jeff,

Thanks for the explanation and for your time. What you have explained
is true to understand PDOS. But, I need "projected-Bandstructure" not
projected-DOS.

For your information:

For each L there is information inside the PDOS files (i.e. #atm
files) for each 'm' value. The last 3 coloumns if l=1 i.e. for
p-orbitals.


Thank you once again for your time,

Sincerely,

Sharma.









********************************************************
*Chaitanya Sharma,*
*Prof. Pati'*s group,
Chemistry and Physics Materials unit,
JNCASR, BANGLORE,
Lab:: (080-2208) 2581, 2809
https://sites.google.com/site/sharmasrkcyamijala/
*********************************************************

On Mon, Sep 14, 2015 at 3:28 PM, Sharma SRK Chaitanya Yamijala <
sharmajncasr at gmail.com> wrote:

> Dear all,
>
> Can some one guide me on how to achieve orbital projected band structure.
> I have seen projwfc.x and I only k-resolved dos.
>
> Thanking you for your help,
> Sincerely,
> Sharma.
>
>
>
>
>
>
>
> ********************************************************
> *Chaitanya Sharma,*
> *Prof. Pati'*s group,
> Chemistry and Physics Materials unit,
> JNCASR, BANGLORE,
> Lab:: (080-2208) 2581, 2809
> https://sites.google.com/site/sharmasrkcyamijala/
> *********************************************************
>
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