[Wien] TELNES and problem of SO

bruce.tian brucetian8080 at gmail.com
Wed Apr 11 14:48:37 CEST 2012


Dear all:

Thanks for Gavin' comments and Prof. Blaha's help!

1. I tried different cases and found that TELNES3 of TiN works well. But
for the cases involving spin polarization, such as Ni, NiO, x TELNES3
doesn't work. Hope this can help.

2. The mbj and SO calculation of NiO are still conflict. Is there any
improvement?

Thanks!

best regards
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