[QE-users] problem in running pw2wannier90.x

Raghottam Sattigeri raghottam.s-phy at msubaroda.ac.in
Tue Feb 1 06:46:27 CET 2022


You have given both prefix and seedname and the script does not end with a
"/". Probably this is creating the problem.

On Tue, Feb 1, 2022, 10:34 Soumendra Kumar Das <soumendra.batu at gmail.com>
wrote:

> Dear QE users,
>
> I am running the wannier canculation for Bi2Se3. I have successfully run
> scf, nscf, wannier90.x -pp. But while running pw2wannier90.x I am getting
> this error.
>
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine pw2wannier90 (1):
>      reading inputpp namelist
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
>
> Here is my input filr for pw2wan.
>
> &inputpp
>   outdir     =  'temp2'
>   prefix     =  'Bi2Se3'
>   seedname   =  'wannier'
>   write_amn  =  .true.
>   write_mmn  =  .true.
>   write_unk  =  .true.
>
>
> Please suggest to me what I should do on this. I am using qe-6.5.
> --
> *---------------------------------------*
> *Thanks and Regards*
> *Soumendra Kumar Das*
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20220201/3ccc736e/attachment.html>


More information about the users mailing list