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 = 3.9936312408897496 Angstroms and c = 6.8220496419246 Angstroms (c/a = 1.708232), which means the distance between an atom and its nearest neighbor in an adjacent layer is 4.117214328316064 Angstroms. The model cutoff computed was 3.999999990463257 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":120.65,"usertime":177.80,"systime":211.49,"memmax":88972,"memavg":0}