I wish to run DFT calculations on Quantum Espresso for the calculation of quantum capacitance. I have gone through literature, specifically, "Graphitic carbon nitride decorated with FeNi3 nanoparticles for flexible planar micro-supercapacitor with ultrahigh energy density and quantum storage capacity", wherein (in Figure 4e) they have, in short, mentioned calculation of quantum capacitance and have given equations.

I was wondering on how to go about this. Do I have to perform DOS or bandstructure before proceeding? Happy if anyone can help and guide on how and what Quantum Espresso calculations need to be carried out.

  • $\begingroup$ I gave my +1 long ago but since you haven't signed in for 7 months it's unlikely that you will see anyone's answer to this question, so we'll close it as abandoned but can reopen it as soon as you come back (just leave a comment!). $\endgroup$ Jun 11 at 17:22


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