project-14/soc-scf-trajectories

SOC-SCF Trajectories Spatially resolved electronic response histories from periodic, spin–orbit-coupled (SOC), noncollinear Quantum ESPRESSO calculations, collected with GPU-accelerated conventional DFT by Project-14. Release status: The complete SOC-SCF field corpus is mirrored on Hugging Face. All 1,368 raw shards have been verified against their recorded sizes and SHA-256 checksums. See RAW_STATUS.json for the completed inventory. What is here Unit Count… See the full description on the dataset page: https://huggingface.co/datasets/project-14/soc-scf-trajectories.

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