symmetrize_stresses

emmet.core.elasticity.symmetrize_stresses(stresses, strains, structure, symprec=SETTINGS.SYMPREC, tol=0.002)

Symmetrize stresses by averaging over all symmetry operations.

Return type:

list[Stress]

Parameters:

• stresses (list[Stress])

• strains (list[Strain])

• structure (Structure)

• tol (float)

Args:

stresses: stresses to be symmetrized strains: strains corresponding to the stresses structure: materials structure symprec: symmetry operation precision tol: tolerance for comparing strains and also for determining whether the

deformation corresponds to the train is independent. The elastic workflow use a minimum strain of 0.005, so the default tolerance of 0.002 should be able to distinguish different strain states.

Returns: symmetrized stresses