Empty atom

The empty atom is used to allocate basis orbitals to a vacant region such as vacancy and interstitial region. The pseudopotential for the empty atom is a flat zero potential. One can allocate any basis functions for the empty atom. How to define the empty atom and allocate basis function for the empty atom can be found in the manual. It is also noted that the number of valence electrons is zero. The empty atom is compatible with all the functionalities of OpenMX.


Pseudo potential

• E.vps