[Wannier] Extra bands in Frozen window

[SRKC Sharma Yamijala]

Dear all,

I am getting extra bands in the frozen window energy range, which I suppose
shouldn't come according to the definition of the window. I have observed
this behavior consistently in my system (BaRuO3 in 4H phase, i.e. hexagonal
symmetry) when I tried to project d-orbitals on to Ru atoms.

I have attached the drive-links containing the required files for wannier90
along with the original bandstructure (unscaled.agr) from espresso for
reference. In the attached files I have performed the calculations with
4*4*4 mesh, but, I have observed the same behavior even with 12*12*12 mesh.

Could you please let me know, where I am going wrong?

Thanking you,
Sincerely,
Sharma.

 baruo3.amn
<https://docs.google.com/file/d/0B7l7TJgy0hzhWnh0YUdKbVRhbms/edit?usp=drive_web>

 baruo3.eig
<https://docs.google.com/file/d/0B7l7TJgy0hzhZHVIdHF5OHZCUVk/edit?usp=drive_web>

 baruo3.mmn
<https://docs.google.com/file/d/0B7l7TJgy0hzhVGFlVXhTTEdlVjQ/edit?usp=drive_web>

 baruo3.nnkp
<https://docs.google.com/file/d/0B7l7TJgy0hzhUXlxWnpLcUhlZWM/edit?usp=drive_web>

 baruo3.win
<https://docs.google.com/file/d/0B7l7TJgy0hzhc09LQUM5VW1pS1E/edit?usp=drive_web>

 baruo3.wout
<https://docs.google.com/file/d/0B7l7TJgy0hzhWVFiSjVNa196c2s/edit?usp=drive_web>

 baruo3_band.agr
<https://docs.google.com/file/d/0B7l7TJgy0hzhaWZUUUxickpVdVU/edit?usp=drive_web>

 unscaled.agr
<https://docs.google.com/file/d/0B7l7TJgy0hzhRTFTc2hXNk1VckE/edit?usp=drive_web>








********************************************************
*Chaitanya Sharma,*
*Prof. Pati'*s group,
Chemistry and Physics Materials unit,
JNCASR, BANGLORE,
Lab:: (080-2208) 2581, 2809
https://sites.google.com/site/sharmasrkcyamijala/
*********************************************************
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