[QE-users] pw2wannier90 issue

Mayuri Bora mayu219 at tezu.ernet.in
Tue Jun 1 11:49:49 CEST 2021


I am still waiting for the reply.

Thank You


> Dear QE user
>
> I am trying to interface wannier and QE with pw2wannier90.x. I am getting
> continuous error in direct lattice mismatch. The output as shown below-
>
>   Spin CASE ( non-collinear )
>
>   Wannier mode is: standalone
>
>   -----------------
>   *** Reading nnkp
>   -----------------
>
>   Checking info from wannier.nnkp file
>
>   Something wrong!
>   rlatt(i,j) =  8.335061334110377E-002  at(i,j)=   1.00000000000000
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine pw2wannier90 (4):
>      Direct lattice mismatch
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
>
> I will be thankful if i get some help in this regard.
>
> regards
> Mayuri
>
>
> Mayuri Bora
> INSPIRE Fellow
> Advanced Functional Material Laboratory
> Tezpur University
> Napaam
> http://www.tezu.ernet.in/afml/
>
>
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Mayuri Bora
INSPIRE Fellow
Advanced Functional Material Laboratory
Tezpur University
Napaam
http://www.tezu.ernet.in/afml/


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