def test_vanadium_sc_hf_level_shift(): with assert_raises(ValueError): check_vanadium_sc_hf(PlainSCFSolver(threshold=1e-10, level_shift=-0.1))
def test_vanadium_sc_hf(): with assert_raises(NoSCFConvergence): check_vanadium_sc_hf(ODASCFSolver(threshold=1e-10, maxiter=10))
def test_vanadium_sc_hf(): with assert_raises(NoSCFConvergence): check_vanadium_sc_hf(PlainSCFSolver(threshold=1e-10, maxiter=10))