Dear all,
in the explanation, what I understood is:
Total energy + Electronic entropic energy = Free energy with TS not 0, then use extrapolation for TS ->0 to get ENERGY| Total FORCE_EVAL ( QS ) energy (a.u.)
However, in numerical, it is not the case if you check the numbers in the example output.
The question is, what does the TS(entropic term) -> 0 mean here? directly set TS = 0 or use any special extrapolation technique?