Energy in OUTCAR
Posted: Fri May 17, 2013 8:03 am
Sir,
There are three types of energies in OUTCAR file, TOTEN, energy without entropy and energy(sigma->0), What these energies actually signifies, Which energy should be noted as ground state energy?
There are three types of energies in OUTCAR file, TOTEN, energy without entropy and energy(sigma->0), What these energies actually signifies, Which energy should be noted as ground state energy?