head Test calculation: Lattice invariance shear of cubic crystal % Set convergence tolerance for CG fact,gtol,1e-16 % read in material definitions mate,dire 'Si(diamond)' 0 1.5 1.5 1.5 0 1.5 1.5 1.5 0 2 14 0 0 0 14 0.75 0.75 0.75 1 1 % read in constitutive information cons,kim,Four_Body_Mistriotis_Flytzanis_Farantos_Si__MO_080526771943_000 % Find optimal lattice parameters and reset lattice opti,,1 end stop