PPAFM example data: C60, FAD, FFPB, Pentacene, Phtalocyanine, PTCDA

Example input data for probe-particle (PP) atomic force microscopy (AFM) simulations. Included files: CO_tip_densities.tar.gz: the total and delta electron densities for a CO tip. hartree-density.tar.gz: the hartree potential (LOCPOT.xsf), electron density (CHGCAR.xsf), and xyz geometry with point charges (mol.xyz) for 6 example molecules: C60 fullerene, formic acid dimer (FAD), 4-(4-(2,3,4,5,6- pentafluorophenylethynyl)-2,3,5,6- tetrafluorophenylethynyl) phenylethynylbenzene (FFPB), pentacene, phtalocyanine, perylene carboxylic anhydride (PTCDA). dft-afm.tar.gz: DFT-calculated forces for the CO-tip for all of the example molecules. Saved as numpy npz files that containt the force arrays under the key 'force' and the physical extent of the region in Ångstöms under the key 'scan_window'.