Improved convergence in block copolymer self-consistent field theory by Anderson mixing.
A modification to real space polymeric self-consistent field theory algorithms that greatly improves the convergence properties is presented. The method is based on Anderson mixing [D. G. Anderson, J. Assoc. Comput. Mach. 12, 547 (1965)], and each iteration computed takes negligibly longer to perform than with other methods, but the number of iterations required to reach a high accuracy solution is greatly reduced. No a priori knowledge of possible phases is required to apply this method. We apply our approach to a standard diblock copolymer melt, and demonstrate iteration reductions of more than a factor of 5 in some cases.
Thompson
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Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA. rthompson@lanl.gov
Rasmussen
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Lookman
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