ERKALE
ERKALE - DFT from Hel
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energy_t Struct Reference

Energy info. More...

#include <scf.h>

Public Attributes

double Ecoul
 Coulombic energy.
 
double Ekin
 Kinetic energy.
 
double Enuca
 Nuclear attraction energy.
 
double Exc
 Exchange(-correlation) energy.
 
double Eone
 One-electron contribution.
 
double Eel
 Total electronic energy.
 
double Enucr
 Nuclear repulsion energy.
 
double Enl
 Non-local energy.
 
double Esic
 Self-interaction energy.
 
double E
 Total energy.
 

Detailed Description

Energy info.


The documentation for this struct was generated from the following file: