{
    "$id": "https://schemas.httk.org/defs/v0.1/workflows/vasp-static",
    "title": "VASP static calculation",
    "description": "This workflow declaration defines the httk vasp-static workflow: it performs a single-point total-energy evaluation of a fixed structure with VASP.\nIt defines the meaning of its roles: input role initial_structure is a structures entry containing the structure to evaluate.\nOutput role total_energy is a records entry containing the total energy of the structure.",
    "x-httk-definition": {
        "kind": "workflow_declaration",
        "format": "0.1",
        "version": "0.1.0",
        "name": "vasp-static",
        "label": "vasp_static_workflow_httk"
    },
    "inputs": [
        {
            "name": "initial_structure",
            "entry_type": "structures",
            "ref": "https://schemas.optimade.org/defs/v1.3/entrytypes/optimade/structures",
            "description": "The structure to evaluate."
        }
    ],
    "outputs": [
        {
            "name": "total_energy",
            "entry_type": "records",
            "ref": "https://schemas.httk.org/defs/v0.1/properties/core/total_energy",
            "description": "The total energy of the structure."
        }
    ]
}