[Wannier] Exiting....... kmesh_get_automatic

[Stepan Tsirkin]

Dear Zafer,

The user manual says:
2.4.11 integer :: search_shells

Specifies the number of shells of neighbours over which to search in attempting to determine an automatic solution to the B1 condition Eq. 2.1. Larger values than the default may be required in special cases e.g. for very long thin unit cells.

The default value is 36. 


Probably you are using an older version that has a lower default value. Try setting search_shells=36   or 50 or  increase it until the problem is solved

Regards,
Stepan Tsirkin

> On 18 May 2020, at 10:02, Zafer Kandemir <zaferkandemir35 at gmail.com <mailto:zaferkandemir35 at gmail.com>> wrote:
> 
> Dear Wannier users and developers,
>  
> I'm using wannier90 and pwscf for calculation on a hexagonal structure. I attached my wannier input file *.win.
> When I want to do the -pp operation with wannier90, I obtain this error :
> __
>  | The b-vectors are chosen automatically                                     |
>   
>  Unable to satisfy B1 with any of the first  12 shells
>  Your cell might be very long, or you may have an irregular MP grid
>  Try increasing the parameter search_shells in the win file (default=12)
>   
>  Exiting.......
>  kmesh_get_automatic
> __
> 
> Best regards
> 
> --
> Zafer Kandemir
> Postdoctoral Researcher - Theoretical Physicist
> Mechanical Engineering Department
> Eskisehir Technical University
> 26555 Tepebasi-ESKISEHIR/TURKEY
> ----------------------------------------
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