def METHOD_NAME(self):
    mf = dft.KRKS(cell, cell.make_kpts([2,1,1]))
    mf.xc = 'b88,'
    mf = scf.newton(mf)
    mf.conv_tol_grad = 1e-4
    mf.kernel()
    self.assertAlmostEqual(mf.e_tot, -10.446717855794008, 8)