- [x] Set the simple example - @ondrejkrejci - [x] Calculate in VASP - @ondrejkrejci - [x] convert CHGCAR and LOCPOT to xsf with v2xsf (standard for PPAFM) - @ondrejkrejci - [x] Calculate with FHI-aims - @ondrejkrejci - [ ] Calculate with CP2K - @yakutovicha