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)  | |