[Wien] Anomalous behavior
sikander Azam
sikander.physicst at gmail.com
Wed Apr 20 09:28:04 CEST 2016
Dear All
I am getting some unique results, in NiO when I doped Eu with less than 30
K-points the optical properties shows semiconductor natur while the
electronic structure giving me metallic nature. But when I increase the
K-points i.e. increase it from 30 to 1000 or more then I totally get the
metallic nature.
I don't know why?
Regards
Azam
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160420/8956eac6/attachment.html>
More information about the Wien
mailing list