[Wien] Wien Digest, Vol 37, Issue 2
Prateep Bisht
prateepb at yahoo.com
Fri May 23 15:41:02 CEST 2008
Respected Wien2k Users,
Could I use the LDA+U potential for "In" atom without spinpolarize calculation. As I tried the InN for test case I have find the band gap is zero and crystal field spliting occures. Is it possible to remove the crystal field splitting in the case of InN ZB phase.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080523/c5c87cfe/attachment.html
More information about the Wien
mailing list