[Wien] Help about mBJ
hüsnü kara
husnukara34 at gmail.com
Wed Mar 29 12:43:18 CEST 2017
Dear Wien Users,
I study on magnetic quaternary-Heusler alloys. I did band structure
calculations with GGA and GGA+mBJ approximations. I concluded that bandgaps
with GGA+mBJ are smaller than ones with GGA. So could I tell that GGA+mBJ
approximation is not appopriate for quaternary-Heusler alloys?
Best Regards,
Hüsnü Kara
---
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170329/2390a846/attachment.html>
More information about the Wien
mailing list