[Wannier] Error: Unable to satisfy B1

[Junfeng Qiao]

Hi Rajdeep,

The lattice constant along the z-direction is much larger than x and y in your 
structure. As the the output suggested, you can increase search_shells to a 
much larger value. It worked for me. 

Junfeng Qiao

On Tuesday, May 22, 2018 8:32:47 PM CST Rajdeep Banerjee wrote:
> Dear all,
>             I was trying to generate seedname.nnkp file and I am getting
> the following error:
> 
> 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)
> 
> System:
> Orthorhombic unit cell with 14 Angstrom vacuum in z-direction.
> 
> I have tried the following:
> 1. Increased the precision of the lattice parameters
> 2. Decreased tolerance kmesh_tol
> 
> But the error persists. I am attaching the input file for your convenience.
> Thanks in advance!
> 
> best regards,