workfunction

MULTIBINIT, aTDEP, ANADDB, optics, cut3d, mrg* postprocessors

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ntuxi
Posts: 10
Joined: Thu Mar 25, 2010 10:26 am

workfunction

Post by ntuxi » Fri Nov 19, 2010 3:42 am

Dear all,
is there any tools to plot the workfunctions from the calculation?


Thanks!

mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: workfunction

Post by mverstra » Sun Mar 13, 2011 9:32 pm

No, you have to plot the potential yourself (e.g. prt1dm 1), find the vacuum level, and subtract the Fermi level yourself. Then you can also correct for the finite size error in the Fermi energy. There are a few posts on the forum about the latter.

M.
Matthieu Verstraete
University of Liege, Belgium

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