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 | [[Category:Electronic ground-state properties]][[Category:Electronic minimization]] | ||
Latest revision as of 10:13, 17 October 2024
Within the PAW method there is the occupation for the plane-wave part and the on-site occupation matrix 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.