Traceback (most recent call last): File "../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner", line 458, in a, c, cohesive_energy = get_lattice_constant(symbol, model, maxiter=500) File "../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner", line 396, in get_lattice_constant raise RuntimeError( RuntimeError: Lattice converged to a = 4.593098597472364 Angstroms and c = 7.51773649644862 Angstroms (c/a = 1.636746), which means the distance between an atom and its nearest neighbor in an adjacent layer is 4.600138630107767 Angstroms. The model cutoff computed was 4.599999997057051 Angstroms. Since the smallest interlayer atom distance is greater than the model_cutoff, the minimization has converged to a state where there are no longer interlayer forces, indicating the lattice is unstable. Command exited with non-zero status 1 {"realtime":96.60,"usertime":146.54,"systime":166.54,"memmax":97804,"memavg":0}