[Wannier] wrong projection of wannier functions

Poonam Kaushik poonamkaushik40 at gmail.com
Thu Sep 10 12:09:55 CEST 2020


Dear Experts,
I just want to is I am asking something wrong? Is this issue is not
answerable or I did something wrong ?.
I'll very thankful for any response.

warm regards.
Poonam Sharma





-------------------------------------------------------------------------------------------------
Poonam Sharma
Research Scholar
Department of Physics
Indian Institute of Technology Bombay
Mumbai - 400076
India.



On Mon, Sep 7, 2020 at 2:01 AM Poonam Kaushik <poonamkaushik40 at gmail.com>
wrote:

> Dear All,
> I am new here.
> I am trying to produce the wannier functions in QE6.5 using wannier_ham.x.
> Calculations are spin polarised and  I am getting the wrong projections
> corresponding to some of the atoms also this is happening in the spin1 case
> only in spin2 case everything is fine. After trying a lot I am not able to
> understand why this is happening. Can anyone please help me to understand
> the reason, and how to resolve this issue?
>
> Thanks and regards,
> Poonam Sharma
>
>
>
>
>
> -------------------------------------------------------------------------------------------------
> Poonam Sharma
> Research Scholar
> Department of Physics
> Indian Institute of Technology Bombay
> Mumbai - 400076
> India.
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20200910/76ba96df/attachment.html>


More information about the Wannier mailing list