Iterative diagonalization in augmented plane wave based methods in electronic structure calculations
From MaRDI portal
Publication:2655698
Recommendations
- Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations
- Preconditioned conjugate gradient method for the sparse generalized eigenvalue problem in electronic structure calculations
- Iterative diagonalization of symmetric matrices in mixed precision and its application to electronic structure calculations
- Solving large nonlinear generalized eigenvalue problems from density functional theory calculations in parallel
- Rapid iterative method for electronic-structure eigenproblems using localised basis functions
Cites work
- A Jacobi–Davidson Iteration Method for Linear Eigenvalue Problems
- A new method for diagonalising large matrices
- Electronic structure calculations of solids using the WIEN2k package for material sciences
- scientific article; zbMATH DE number 4213315 (Why is no real title available?)
- Jacobi-Davidson type methods for generalized eigenproblems and polynomial eigenproblems
- Rapid iterative method for electronic-structure eigenproblems using localised basis functions
- Solving large nonlinear generalized eigenvalue problems from density functional theory calculations in parallel
- The Davidson Method
- The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
Cited in
(18)- Electronic structure calculations for plane-wave codes without diagonalization
- Fast solution of Schrödinger's equation using linear combinations of plane waves
- High-performance generation of the Hamiltonian and overlap matrices in FLAPW methods
- WIEN2k
- Iterative diagonalization of symmetric matrices in mixed precision and its application to electronic structure calculations
- Iteratively generated pseudopotentials in electronic structure calculations
- Elliptic preconditioner for accelerating the self-consistent field iteration in Kohn-Sham density functional theory
- Block iterative eigensolvers for sequences of correlated eigenvalue problems
- Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations
- An approximate eigensolver for self-consistent field calculations
- Fast iterative interior eigensolver for millions of atoms
- Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations
- Preconditioning orbital minimization method for planewave discretization
- An adaptive planewave method for electronic structure calculations
- Solving large nonlinear generalized eigenvalue problems from density functional theory calculations in parallel
- A projector augmented wave (PAW) code for electronic structure calculations. II: Pwpaw for periodic solids in a plane wave basis
- Preconditioning systems arising from the KKR Green function method using block-circulant matrices
- Rapid iterative method for electronic-structure eigenproblems using localised basis functions
This page was built for publication: Iterative diagonalization in augmented plane wave based methods in electronic structure calculations
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2655698)
