workfunction
Posted: Fri Nov 19, 2010 3:42 am
Dear all,
is there any tools to plot the workfunctions from the calculation?
Thanks!
is there any tools to plot the workfunctions from the calculation?
Thanks!
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.