EAC-Net Benchmark Dataset: Charge Density Files and VASP Inputs for Training and Evaluation

This dataset accompanies the manuscript "EAC-Net: Predicting real-space charge density via equivariant atomic contributions" (arXiv:2508.04052). It contains DFT-computed charge density files in HDF5 format for four benchmark systems (amorphous Si, Al surface, Al-Mg alloy, and liquid water), with explicit train/validation/test splits corresponding to Figure 2 of the manuscript. Also included are VASP input files for the high-entropy alloy zero-shot evaluation in Figure 3e–f. A detailed description of the data format, file organization, and train/test splits is provided in README.md.