Fig. 8
From: LAGNet: better electron density prediction for LCAO-based data and drug-like substances
These panels show the main differences between PW-based electron density on a uniform grid and LCAO-based electron density on the standard grid. The two grid layouts produce different distributions of distances between atoms and probe points. In addition, PW data use pseudopotentials, while LCAO data include full core orbitals with all electrons. This difference leads to distinct distributions of electron density amplitudes