I'm a beginner in DFT and Im using quantum espreso.

I've seen the difference of hydrostatic pressure being used as a criteria for converging my k-point grid and plane-wave cut-off values.

I would like to know the accepted threshold of Hydrostatic pressure (in kbar [as in quantum espresso]) difference used as a convergence criteria.

  • 4
    $\begingroup$ Please, take a look to similar questions: here, here, here and here. $\endgroup$
    – Camps
    Jan 19, 2021 at 13:59
  • $\begingroup$ As suggested by the related convergence questions Camps posted, the answer is likely going to be "it depends on what you are trying to compute". With some additional detail on your use case, I think this would be an interesting question. $\endgroup$
    – Tyberius
    Jun 23, 2021 at 21:49
  • $\begingroup$ Just to clarify: if you add more detail to the question, it can be re-opened. $\endgroup$ Jun 23, 2021 at 22:26