Configurational Entropy in standard relaxation
Posted: Mon Jul 10, 2023 6:32 pm
Dear Admin,
As a result of a dft calculation using vasp, we get a typical result (see attachment) as shown.
My question is weather the TOTEN includes configurational entropy?
exactly which entropy is vasp talking about?
Thanks
As a result of a dft calculation using vasp, we get a typical result (see attachment) as shown.
My question is weather the TOTEN includes configurational entropy?
exactly which entropy is vasp talking about?
Thanks