Category talk:Electronic minimization: Difference between revisions
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* Add a more precise definition of "electronic minimization" (from the lecture). | |||
* The page [[Algorithms used in VASP to calculate the electronic groundstate]] describes the class of minimizers based on a combination of the SCF cycle and density mixing. This, however, is not the only class of methods available (there's the direct minimizers as well). | * The page [[Algorithms used in VASP to calculate the electronic groundstate]] describes the class of minimizers based on a combination of the SCF cycle and density mixing. This, however, is not the only class of methods available (there's the direct minimizers as well). | ||
Latest revision as of 12:56, 2 July 2024
- Add a more precise definition of "electronic minimization" (from the lecture).
- The page Algorithms used in VASP to calculate the electronic groundstate describes the class of minimizers based on a combination of the SCF cycle and density mixing. This, however, is not the only class of methods available (there's the direct minimizers as well).
- Several "Theory" pages mentioned here are off-topic:
- Move "k-point integration" elsewhere
- Move "Wrap-around errors" elsewhere
- All "How to" pages mentioned here are off-topic (should be moved elsewhere)
- Subcategory "density of states" is off-topic
- Several (probably all) pages on electronic minimizers need to be reworked. In some of them references like "in the previous section" are used, which are meaningless in a wiki environment. Examples: Efficient single band eigenvalue-minimization and Conjugate gradient optimization.
- Do not use the TAG template to link to non-tag related articles.