Dear all,
is there any tools to plot the workfunctions from the calculation?
Thanks!
workfunction
Moderators: MMNSchmitt, gonze
Re: workfunction
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.
M.
Matthieu Verstraete
University of Liege, Belgium
University of Liege, Belgium