RESCU: a real space electronic structure method (Q729415): Difference between revisions

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+Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
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+Self-consistent-field calculations using Chebyshev-filtered subspace iteration
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+ARPACK Users' Guide
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+Thick-restart Lanczos method for electronic structure calculations
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+Electronic structure calculations for plane-wave codes without diagonalization
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+Pole-based approximation of the Fermi-Dirac function
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+Templates for the Solution of Algebraic Eigenvalue Problems
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+Bounding the spectrum of large Hermitian matrices
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+Toward the Optimal Preconditioned Eigensolver: Locally Optimal Block Preconditioned Conjugate Gradient Method
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+Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation
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+Elliptic Preconditioner for Accelerating the Self-Consistent Field Iteration in Kohn--Sham Density Functional Theory
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+Finite Elastic Strain of Cubic Crystals
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