Decomposed total energy/potential
Posted: Wed Jan 07, 2015 5:37 am
Hi,
Is it possible to get the decomposed contributions to the total energy/potential from a VASP calculation? i.e., the quantities Vee, Vne, Vnn etc..?
Thanks.
Is it possible to get the decomposed contributions to the total energy/potential from a VASP calculation? i.e., the quantities Vee, Vne, Vnn etc..?
Thanks.