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) | |