Topic: FHI-aims program

Be prepared: FHI-aims is needed (educational version is installed on VM)

Lecture slides

Practice

• FHI-aims tutorial

Reading

• S Levchenko, X Ren, J Wieferink, R Johanni, P Rinke, V Blum, M Scheffler, Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework, Comp Phys Comm 192, 60 (2015) – pdf
• V Blum, R Gehrke, F Hanke, P Havu, V Havu, X Ren, K Reuter, M Scheffler, Ab initio molecular simulations with numeric atom-centered orbitals, Comp Phys Comm 180, 2175 (2009)