{
    "dataset": "qe-scf-gamma-kindex-mc3d",
    "code": "quantum-espresso",
    "task": "scf-kpoint-convergence",
    "pseudopotentials": "SSSP PBEsol",
    "spin": "none",
    "mesh_shift": [
        0,
        0,
        0
    ],
    "rows": 17757,
    "structures_total": 18220,
    "structures_without_converged_mesh": 463,
    "k_index_base": 1,
    "k_index_min": 1,
    "k_index_max": 42,
    "min_k_distance_inv_angstrom": 0.03,
    "reciprocal_lattice_convention": "solid-state, includes 2*pi (AiiDA-QuantumESPRESSO / VASP KSPACING k-distance)",
    "convergence_criterion": "first of 3 consecutive ladder meshes whose total energies agree within 1 meV/atom; energy only, no force criterion",
    "columns": [
        "source_db_id",
        "k_index",
        "k_dist_interval",
        "k_mesh"
    ],
    "files": {
        "convergence_summary.csv": {
            "sha256": "295e8365bb5a31b323d7ffb877bd2015061ff6c02b89273ec5c0c716133b48ac",
            "rows": 17757
        },
        "CIF_files.tar.gz": {
            "sha256": "4f11f7c424e93af8c7074e55978eacd91ec618b79b09356f4586e279e79e1544",
            "cif_members": 18220
        },
        "README.md": {
            "sha256": "dd3544151531e7d922d16071e57dd66382724be31caf3eab3334ec1060605275"
        },
        "LICENSE": {
            "sha256": "9ba9550ad48438d0836ddab3da480b3b69ffa0aac7b7878b5a0039e7ab429411"
        }
    }
}