Total energy in the OUTCAR file
Posted: Mon Jul 01, 2013 1:09 pm
Dear VASP users,
In the OUTCAR file there is free energy total and energy without entropy.What is this free energy total?Is it the sum of all energies like Fermi energy,coulomb energy,exchange and correlation energy etc?
In the OUTCAR file there is free energy total and energy without entropy.What is this free energy total?Is it the sum of all energies like Fermi energy,coulomb energy,exchange and correlation energy etc?