I am conducting phonon calculations for the CsPbI3 perovskite structure in quantum espresso. How can a convergence test be performed for phonons? Which parameter should be checked in the output file to ensure convergence? Do we need to verify the convergence of frequencies at specific q-points?
Anuradha Chhillar
This can be done by decreasing the temperature and increasing pressure of the system.
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Epr - Copenhagen
Anuradha Chhillar Thank you for your answer but can you please explain a little bit about which parameter needs to be changed in the input file and correspondingly which parameters to check the convergence in the output file?
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