z2pack problem related to overlap matrices

[Dominik Gresch]

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?

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