Atomic energy vs. Total energy
Posted: Wed May 29, 2013 7:19 am
Dear VASP,
I ran a relax calculation. I'm quite confused about the difference between the atomic energy = 14981eV and energy without entropy = -116eV. Also, why is the atomic energy a positive number?
Thanks in advance.
An ignorant student
I ran a relax calculation. I'm quite confused about the difference between the atomic energy = 14981eV and energy without entropy = -116eV. Also, why is the atomic energy a positive number?
Thanks in advance.
An ignorant student