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

Zafer Kandemir zaferkandemir35 at gmail.com
Mon May 18 10:02:55 CEST 2020


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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