[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?

Abid Rehman rehmanustc at gmail.com
Wed Mar 3 05:44:27 CET 2021


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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