[DFTB-Plus-User] plotting DOS and BAND with fermi energy

孙萍萍 pps265616 at 126.com
Tue Mar 25 08:49:44 CET 2014


I still have a question, I make a test DOS calculation, the fermi level in the detail.out is -3.7902eV, after I plotted the DOS figure,
the bandgap are in a range of -0.5~2 eV, the fermi level is not in the bandgap, I don't know why and urgent to get your help.



At 2014-03-25 15:36:10,"孙萍萍" <pps265616 at 126.com> wrote:

I am still curious to know how can I rigidly shift the bands where I like, cause the data of my system are numberous,
PS: I plot the DOS and Band with origin.
Thank you again for your help.


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20140325/6c1349a2/attachment-0001.html>


More information about the DFTB-Plus-User mailing list