I want to plot the relationship between free energy and temperature. I want to consider two plots, when phonons are considered and when phonons are not considered how the free energy changes with temperature. I have already performed phonon calculations on my system using vasp-dfpt. All ideas are welcom.

  • $\begingroup$ I gave my +1 long ago, but please show us the calculations that you have performed (both input and output files). It's hard for us to answer without knowing what data you have. $\endgroup$ Dec 19, 2023 at 19:53
  • $\begingroup$ @NikeDattani I have calculated E-V data and phonon calculations to get the frequencies. I don't think is possible to upload the files here, right? $\endgroup$ Dec 20, 2023 at 20:33


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