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ABACUS Pseudopot-Nao Square

About

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.

Author information

APNS is mainly developed and maintained by the ABACUS-AISI (Artificial Intelligence for Science Institute, BEIJING) team.

abacus-pseudopot-nao-square's People

Contributors

kirk0830 avatar

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