Pseudopotentials for core level excitations

The database of fully relativistic pseudopotentials (VPS) and pseudo-atomic orbitals (PAO), which can be used for calculations of core level excitations, are available as Database (2019) for core excitations at the following website:

    https://t-ozaki.issp.u-tokyo.ac.jp/vps_pao_core2019/
The data for B, C, N, O, Si, S, Ge, Pt elements are available. When you calculate absolute binding energies of core levels in bulk and gaseous systems, which can be measured in X-ray photoemission spectroscopy (XPS), the VPS and PAO files have to be used. See also the section 'Absolute binding energies of core levels: XPS core level energies'.