<div dir="ltr"><div><div><div><div>Dear wannier's owners and developers, <br></div>I have posted one question earlier, but I have not heard any response about it. My question is that I have run wannier90.x -pp to generate the overlaps seedname.nnkp before running pw2wannier90.x. However, they are not generated. I have found the below message<br><br>Unable to satisfy B1 with any of the first 12 shells<br> Your cell might be very long, or you may have an irregular MP grid<br> Try increasing the parameter search_shells in the win file (default=12)<br> <br> Exiting.......<br> kmesh_get_automatic<br><br></div> I have looked for similar cases in the mailing list and found one suggestion to set kmesh_tol=0.00001 by Dr Jonathan Yate. Do I need to add this command to my seedname.win file? I did add it to my
seedname.win file, but I got the same error message. I also tried to reduce the number of kponits chosen if this was the reason, but I still have the same problem. Would you please
help me with it? I will appreciate any feedback as I feel that I miss
something. Many thanks in advance<br><br></div>I appreciate your time<br></div>Zeina </div>