ABACUS (Atomic-orbital Based Ab-initio Computation at UStc) Pseudopot (pseudopotential)-Nao (numerical atomic orbital) Square (APNS) is a project for continuously generating pseudopotential and numerical atomic orbital test data for ABACUS user. The project is based on the ABACUS project, which is a high-performance ab initio simulation software for electronic structure calculation.
APNS is mainly developed and maintained by the ABACUS-AISI (Artificial Intelligence for Science Institute, BEIJING) team.