JDFTx  1.2.0
Energies Struct Reference

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)
 

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