Dear all, Recently I am calculating the work functions or fermi levels of different metals. However, my results seem to be incorrect. For example, I got the fermi level for Au as -3.68eV, which greatly differs from previous theoretically or experimentally reported values, which range from -4.8eV to -5.3eV. Also I got the fermi level for Pt as -3.99eV, also largely differing from correct values.
I want to know what might be the possible reasons for incorrect fermi levels, and when calculating fermi levels, what are the important/relevant parameters? I am calculating very thin metal films (tens of atom layers), and I found the number of layers an important parameter. Also I want to know whether the fermi levels of bulk and thin film metal differs a lot. Thank you for your attention. BR/Yujia
