Data repository for the "Ab initio Auxiliary Field Quantum Monte Carlo in the Thermodynamic Limit" paper, containing all the mean-field inputs, AFQMC python scripts, raw data and plotting scripts. We only provide one sample script for AFQMC calculations with RHF and UHF, respectively, since the AFQMC scripts are modular and can be easily adapted to different systems just by changing the input integral file path.
The corresponding correlation-consistent basis sets for Ca, Cu and Ni can be found in their corresponding SCF inputs in the scf_inputs folder.