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When using Quantum Espresso to perform phonon calculations, one can specify a grid of q-point using ldisp=.true. (Monkhorst-Pack grid)

If I ask for a AxBxC grid, the code will reduce this grid taking under consideration the symmetry. Some of these points will then have a higher weight factor.

I want to calculate thermodynamics properties, so I should consider these weighting factors in my average, however QE does not print them anywhere (I believe).

Am I wrong here, or should I retrieve the weights myself?

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  • $\begingroup$ I have just seen that before diagonalising the dynamical matrix it is written: "Number of q in the star = X" which gives you the weight, should I close the question or answer it myself? $\endgroup$
    – Okano
    Oct 13, 2022 at 11:02
  • $\begingroup$ Okano, please do answer it yourself! $\endgroup$ Jun 11, 2023 at 17:10

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