DFT-FE

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Official website https://www.sciencedirect.com/science/article/pii/S0010465519302309

Source code repository https://github.com/dftfeDevelopers/dftfe

Cited in

(19)

• DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations
• Large scale \textit{ab-initio} simulations of dislocations
• Treecode-accelerated Green iteration for Kohn-Sham density functional theory
• NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations
• ABINIT
• NWChem
• Libxc
• BigDFT
• FFTPACK
• CASTEP
• ClusterES
• RESCU
• CheFSI
• SPARC
• ElaStic
• Dalton
• The \textsc{deal.II} finite element library: design, features, and insights
• Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory
• Q-Chem

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