In a new paper , the method is applied to several surface science problems which are challenging to describe using the slab method, such as:
- The calculation of the work function of transition metals
- The calculation of surface states in noble metals and topological insulators
- The calculation of surface band gaps
- Band alignment in thin-film semiconductor Si|Ge heterostructures
- Electric field on the adsorption of iodine atoms on Pt(111)
For all these systems, the results obtained with the surface Green’s-function method demonstrate the accuracy of the approach and establish the Green’s-function approach to surface calculations as a superior tool compared to more traditional approaches to surface modeling.
Have a look at the tutorial on how to perform Green’s Function surface calculations.
 S. Smidstrup, D. Stradi, J. Wellendorff, P. Khomyakov, U. Vej-Hansen, M-E. Lee, T. Ghosh, E. Jonsson, H. Jonsson and K. Stokbro, "First-principles Green’s-function method for surface calculations: a pseudopotential localized basis set approach", Phys. Rev. B 96, 195309 (2017), arXiv:1707.02141 [cond-mat.mtrl-sci]