[Wannier] Error: Unable to satisfy B1

Rajdeep Banerjee rajdeep.jzs at gmail.com
Tue May 22 14:32:47 CEST 2018


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,
-- 
Rajdeep Banerjee
PhD student
JNCASR, Bangalore
India
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