Unit cell relaxation with the SCFT of block copolymers

We employ the pseudo-spectral implementation of the self-consistent field theory (SCFT) of linear block copolymer melts to model their equilibrium phase behavior. Here we focus on \textit{unit cell} calculations in which saddle-point configurations are determined iteratively through the simultaneous relaxation of the potential fields and the shape of the simulation volume, which is a parallelepiped of arbitrary dimension. The former is accomplished through either an explicit Euler or semi-implicit Seidel type relaxation of the potential fields. Relaxational cell shape dynamics are dictated by the deviatoric stress tensor, which we compute according to the Parrinello-Rahman-Ray technique recently adapted to SCFT by Barrat and coworkers. Defect-free structures may be obtained by using an initial configuration that is constrained to a particular crystallographic symmetry.