JDFTx  1.7.0
Energies Class Reference

Electronic energy components. More...

#include <Energies.h>

Public Member Functions

double F () const
 Helmholtz energy (Etot-TS)
double G () const
 Grand free energy (F-muN)
 Energies ()
 initialize all to 0.
void print (FILE *fp=globalLog) const
 print energies to logPrintf / stream

Public Attributes

EnergyComponents E
 All components of the internal energy (excluding TS and muN)
double TS
 Fillings entropy.
double muN
 Fixed electron chemical potential Lagrange multiplier.
double Eband
 band structure energy (tr Hsub)

Detailed Description

Electronic energy components.

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