Re: [Wannier] Errors when using wannier90 interface with VASP

2021-10-06 Thread Jonathan Yates
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

[Wannier] Errors when using wannier90 interface with VASP

2021-10-06 Thread 邱 国涛
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