[Wannier] How to resolve the issue "wannier90.uHu has not the right number of bands" which arise during the calculation of orbital magnetic moment using postwannier90?

[Stepan Tsirkin]

Hi Abid,

did you use uHu_formatted=True in Wannier90 ?  or, remove the 
formatted=uHu tag to have it as a binary. Will it work this way?

If that does not solve the problem, may be a bug in WannierBerri, please 
post a message on the corresponding list: 
https://physik.lists.uzh.ch/sympa/info/wannier-berri

Regards,

Stepan.

On 03.03.21 05:44, Abid Rehman wrote:
> Hi Wannier90 developers and Users,
> As you know vasp2wannier90  doesn't generate the *wannier90.uHu* file. 
> For this i used wannierBerri code to generate it from wannier90.mmn, 
> wannier90.amn files. Using the *wannierberri.mmn2uHu*  module, I 
> successfully generated the w*annier90.uHu* file using the command-line 
> *python3 -m wannierberri.mmn2uHu wannier90  formatted=uHu*. But  when 
> I use this file in postwannier90 to calculate orbital magnetization, 
> it gives an error like that: *wannier90.uHu has not the right number 
> of bands*.
> Let me mention that the number bands in my wannier90.eign file is 256. 
> In my wannier90.win file: *num_bands =  256* and *num_wann =   188*.  
> The generated wannier90.uHu via wannierBerri also has 256 bands. Then 
> why this error is happening. I don't know how to resolve it.
> Please help me in this regard.
> Best Reds
> Abid
>
> pic.jpg
>
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