[DFTB-Plus-User] How to get HOMO and LUMO in waveplot?

孙萍萍 pps265616 at 126.com
Wed Dec 4 07:59:43 CET 2013


Dear all,
  I don't know how to plot the LUMO and HOMO for a big system, which contains  915 atoms 6 kinds of elements.
 According to the PlottedLevels ?
How should I set  PlottedLevels = { ? } can I respectively get LUMO and HOMO for my system?
Besides, in my band.out file, I can not find the occupation.
I hope to get your help.
Sincerely hoping to get your reply.
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