The coding is something like this.
# Set up configuration
bulk_configuration = BulkConfiguration(
bravais_lattice=FaceCenteredCubic(5.4*Angstrom),
elements=[Gallium, Arsenic],
cartesian_coordinates=[[ 0. , 0. , 0. ],
[ 1.413425, 1.413425, 1.413425]]*Angstrom
)
calculator = LCAOCalculator(
numerical_accuracy_parameters=NumericalAccuracyParameters(
k_point_sampling=(4, 4, 4))
)
bulk_configuration.setCalculator(calculator)
#calculate the stress
stress = Stress(bulk_configuration)
nlprint(stress)
After simulation, 3x3 matrices appeared. There was no something like "Stress = 4.12111" .