[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


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100909/0c1f074b/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 938355-27746.gif
Type: image/gif
Size: 21812 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100909/0c1f074b/attachment.gif>


More information about the Wien mailing list