Category:Electronic occupancy: Difference between revisions
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Within the [[PAW method]] there is the occupation <math>f_k</math> for the plane-wave part and the on-site occupation matrix <math>\rho</math> that characterize the [[Electronic ground-state properties|electronic state]]. Below we list tags and sections that can be used to influence the occupation, besides the obvious influence of the specific [[Ionic minimization|structure]] and [[XC functional|exchange-correlation effects]]. | Within the [[PAW method]] there is the occupation <math>f_k</math> for the plane-wave part and the on-site occupation matrix <math>\rho</math> that characterize the [[Electronic ground-state properties|electronic state]]. Below we list tags and sections that can be used to influence the occupation, besides the obvious influence of the specific [[Ionic minimization|structure]] and [[XC functional|exchange-correlation effects]]. | ||
[[Category:Electronic ground-state property]][[Category:Electronic minimization]] | |||
Revision as of 10:13, 17 October 2024
Within the PAW method there is the occupation [math]\displaystyle{ f_k }[/math] for the plane-wave part and the on-site occupation matrix [math]\displaystyle{ \rho }[/math] that characterize the electronic state. Below we list tags and sections that can be used to influence the occupation, besides the obvious influence of the specific structure and exchange-correlation effects.
Pages in category "Electronic occupancy"
The following 16 pages are in this category, out of 16 total.