Category:Electronic ground-state properties: Difference between revisions
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At the end of an [[:Category:Electronic minimization|electronic minimization]], VASP obtained a converged set of orbitals. | |||
From the orbitals, we compute the corresponding density via [[k-point integration]]. | |||
The orbitals and the density reveal important insights into material properties and are often the first step towards analyzing and understanding a material. | |||
== Properties of orbitals == | == Properties of orbitals == | ||
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* k-point integration | * k-point integration | ||
* BANDGAP | * BANDGAP | ||
Revision as of 09:35, 11 June 2024
At the end of an electronic minimization, VASP obtained a converged set of orbitals. From the orbitals, we compute the corresponding density via k-point integration. The orbitals and the density reveal important insights into material properties and are often the first step towards analyzing and understanding a material.
Properties of orbitals
Subcategories
This category has the following 7 subcategories, out of 7 total.