I have recently encountered paper where the authors have formulated Kohn-Sham equations using the finite-element package deal.II. It stated in paper

DFT-FE was significantly faster than QE for all the systems considered, with speedups for smaller system sizes (2550–6034 electrons) to speedups for larger system sizes (14,322–20,470 electrons)

Did anybody try this package? Can somebody comment on the theory and resulting scaling of speed. As package is recently developed, what are the challenges that will come on practical side over properties of materials in future?



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