Category:Electronic minimization: Difference between revisions
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**Efficient single band eigenvalue-minimization: {{TAG|Efficient single band eigenvalue-minimization}}. | **Efficient single band eigenvalue-minimization: {{TAG|Efficient single band eigenvalue-minimization}}. | ||
**Conjugate gradient optimization: {{TAG|Conjugate gradient optimization}}. | **Conjugate gradient optimization: {{TAG|Conjugate gradient optimization}}. | ||
**Residual minimization scheme, direct inversion in the iterative subspace (RMM-DIIS): {{TAG|RMM-DIIS}}. | |||
== How to == | == How to == | ||
*A description to obtain band decomposed charge densities is given here: {{TAG|Band decomposed charge densities}}. | *A description to obtain band decomposed charge densities is given here: {{TAG|Band decomposed charge densities}}. | ||
Revision as of 12:54, 18 March 2019
Theory
- A comprehensive description of the PAW method is given here: PAW method.
- Electronic minimization: Algorithms used in VASP to calculate the electronic groundstate.
- 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.
How to
- A description to obtain band decomposed charge densities is given here: Band decomposed charge densities.
- Major control tags for PAW: PAW control tags.
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.