[Wannier] Req. wrong crystal field splittings and Maximum Im/Re Ratio

[Soumyadeep]

Dear All,

   I am calculating Wannier functions for BaFe2As2 material. I get 
reasonably well matched interpolated band structure with DFT. But 
crystal field splittings (on-site Hamiltonian matrix elements) and 
Maximum Im/Re Ratio of Wannier functions are wrong (too large). All the 
files attached.

   How can I rectify these errors. Kindly help.

with many thanks and best regards
Soumyadeep
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Soumyadeep Ghosh,
Senior Research Fellow,
Homi Bhabha National Institute (HBNI),
Raja Ramanna Centre for Advanced Technology, Indore, India-452013
Mob: (+91)9424664553
User Lab: 0731244-2580
Email: soumyadeepghosh35 at gmail.com, soumyadeep at rrcat.gov.in
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