Category:Electronic minimization: Difference between revisions
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**Residual minimization scheme, direct inversion in the iterative subspace (RMM-DIIS): {{TAG|RMM-DIIS}}. | **Residual minimization scheme, direct inversion in the iterative subspace (RMM-DIIS): {{TAG|RMM-DIIS}}. | ||
**[[Density Mixing|Theory of density mixing]] | **[[Density Mixing|Theory of density mixing]] | ||
*Integration of k points: {{TAG|k-point integration}}. | *Integration of k points: {{TAG|k-point integration}}. | ||
Revision as of 16:14, 9 February 2021
Theory
- 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
- Integration of k points: k-point integration.
How to
- A description to obtain band decomposed charge densities is given here: Band decomposed charge densities.
- k-point projection scheme: LKPROJ.
Subcategories
This category has the following 2 subcategories, out of 2 total.
Pages in category "Electronic minimization"
The following 32 pages are in this category, out of 32 total.