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- A comprehensive description of the PAW method is given here: PAW method.
- Electronic minimization: Algorithms used in VASP to calculate the electronic groundstate.
- Preconditioning of residuals: Preconditioning.
- Simple Davidson iteration scheme: Davidson iteration scheme.
- Single band steepest descent scheme: Single band steepest descent scheme.
- Efficient single band eigenvalue-minimization: Efficient single band eigenvalue-minimization.
- Conjugate gradient optimization: Conjugate gradient optimization.
- Residual minimization scheme, direct inversion in the iterative subspace (RMM-DIIS): RMM-DIIS.
- Theory of density mixing
- Wrap-around errors in FFT meshes - convolutions: Wrap-around errors.
- Integration of k points: k-point integration.
- A description to obtain band decomposed charge densities is given here: Band decomposed charge densities.
- Major control tags for PAW: PAW control tags.
- k-point projection scheme: LKPROJ.
This category has the following 5 subcategories, out of 5 total.
Pages in category "Electronic Minimization"
The following 95 pages are in this category, out of 95 total.