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
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