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subspace

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juRS

real-space / juRS

Real-space grid Density Functional Theory for large systems

grid density-functional-theory finite-difference iterative-methods conjugate-gradient lattice subspace kohn-sham equidistant cartesian high-order-methods projector-augmented-wave eigenvalueproblems wave-functions full-potential single-particle

Updated Apr 27, 2021
Fortran

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