Fermi energy not in midgap
ashish dabral
ashishd... at gmail.com
Tue Aug 1 16:48:45 UTC 2017
Hi,
I have calculated PDOS for semiconducting systems. While plotting them I
realized that for the semiconductor,
the fermi energy is not lying in the midgap. No spin polarization is used.
I just take the fermi energy and
check if the mid of CB min. and VB maximum give me the fermi
energy(mid-gap). There is a slight offset towards
conduction band. The system is definitely semiconducting.
Any pointers?
Thanks
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170801/2acee8ee/attachment.htm>
More information about the CP2K-user
mailing list