Hi,
Which version of Wannier90 are you using? For VASP I would recommend using the modified Wannier90 1.2 that you can find here http://z2pack.ethz.ch/doc/2.1/tutorial/installation.html#setting-up-first-principles-codes.
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 https://github.com/Z2PackDev/Z2Pack/tree/master/2.1.x/examples/fp/Bi_vasp/input.
Best regards, Dominik
On 18.08.2017 05:22, 潘祈叡 wrote:
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?