Dear Guotao,
Did you try what the error message from wannier90 suggested, and increase
search_shells? Depending on the dimensions of your until cell you might need to
make it fairly large. Note that in the most recent release the default value is
36, not 12 (as in version 2)
If that doesn’t
Dear wannier-lists, I am currently using VASP with wannier90 to build wannier function for a nanoribbon structures. However, some errors occurs during the process. At the beginning I used K-mesh equals to 1 8 1 and the *.wout file shows the error like: Unable to satisfy B1 with any of the first