Request: Driver for ABACUS calculator

[QuantumMisaka]

ABACUS is an open-source DFT package using both PW and LCAO as basis, which is developing by research group of Lixin He from USTC, Xinguo Ren from IPCAS, Mohan Chen from PKU, and also AI for Science Institute. This electronic structure software support LDA, GGA(PBE), mGGA(SCAN) and Hybrid Functional (HSE, PBE0) calculation, and by using LCAO basis, the calculation efficiency have large improvement in large system which can be more than hundreds and thousands of atoms.

From my personal usage, ABACUS have much efficiency improvement by VASP. Additionally, the input files of ABACUS is much easier than CP2K, and in most of magnetic system, ABACUS showed better SCF performance than CP2K, which is good to use in heterogenous catalysis calculation. I'm also developing ASE workflow for using ABACUS.

English doc : https://abacus.deepmodeling.com/en/latest/
Chinese doc: https://mcresearch.gitee.io/abacus-user-guide/

Now, ABACUS have interface with ASE https://gitlab.com/1041176461/ase-abacus, and also dpdata. It is not hard for us to implement ABACUS as a driver in GDPy code.