head Test calculation: Lattice invariance shear of cubic crystal % Set convergence tolerance for CG fact,gtol,1e-16 % read in material definitions mate,dire 'Cu(fcc)' 0 2 2 2 0 2 2 2 0 1 29 0 0 0 1 % read in constitutive information cons,kim,EMT_Asap_MetalGlass_CuMgZr__MO_655725647552_002 % Find optimal lattice parameters and reset lattice opti,,1 end stop