Hi,

Which version of Wannier90 are you using? For VASP I would recommend using the modified Wannier90 1.2 that you can find here.

Other than that, I think your Wannier90 input file is missing the 'shell_list 1' input. You can find working input files for the Bi example with VASP here.

Hi,

Thank you for sharing the z2pack! I'm writing this because I have encountered a problem when I would like to reproduce the Be examples.

I have prepared the wannier90 input files in the directory named input and INCAR, CHGCAR, POSCAR. When I use ./ex_Bi.py, there is error message as attached in the Bi_err file.

(ex_Bi.py is from the example page of z2pack website)

The attached file contains the wannier90 input and all the vasp input.

Could you help me fix the problem?