diff --git a/parser/parser-vasp/parser_vasprun.py b/parser/parser-vasp/parser_vasprun.py index 2bb242283057426b60713b74c0127e6df79fca28..e1102973d02b80049bb848c46a424b47228be068 100644 --- a/parser/parser-vasp/parser_vasprun.py +++ b/parser/parser-vasp/parser_vasprun.py @@ -200,6 +200,7 @@ class VasprunContext(object): if name == "basis": conv = convert_unit_function("angstrom","m") cell = getVector(cellEl, lambda x: conv(float(x))) + backend.addArrayValues("simulation_cell", np.asarray(cell)) elif name =="rec_basis": pass else: