[Wien] Problem in band structure calculations
Subhra Kulshrestha
kuls_gwl2 at yahoo.com
Thu Sep 9 13:27:46 CEST 2010
Respected Prof. P. Blaha and all wien users,
Sir,
1.
I have tried to compute the band structure of DySb (spin-up)
using LSDA+U with U=0.5 Ry. The band
structure of the same also shows doubling of bands. Is it
due to spin-orbit contribution or something wrong ?
Regards and thanks,
Subhra Kulshrestha
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