def shiftxc(calc, xc, energy_only=False):
if isinstance(xc, str):
xc = XCFunctional(xc, calc.wfs.nspins)
elif isinstance(xc, dict):
xc = XCFunctional(xc.copy(), calc.wfs.nspins)
xc.set_non_local_things(calc.density, calc.hamiltonian, calc.wfs,
calc.atoms, energy_only=energy_only)
calc.hamiltonian.xc.set_functional(xc)
calc.hamiltonian.xc.set_positions(
calc.atoms.get_scaled_positions() % 1.0)
for setup in calc.wfs.setups:
setup.xc_correction.xc.set_functional(xc)
if xc.mgga:
setup.xc_correction.initialize_kinetic(setup.data)
