Can anyone please explain, what is the physical meaning of band.conf, mesh.conf and pdos.conf in phonon calculation? if it is possible please explain about tags used in it.

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    $\begingroup$ This is a very broad question, have you looked at the documentation online? For example, grandcentral.apam.columbia.edu:5555/documentation/phonopy/… ; which bits are you confused by? $\endgroup$ Commented Mar 10, 2022 at 23:44
  • $\begingroup$ thank you for the link. My confusion is regarding the tags used in band and mesh files. @PhilHasnip $\endgroup$ Commented Mar 11, 2022 at 4:31
  • $\begingroup$ This question appears to be abandoned. It can be reopened if OP provides further clarification. $\endgroup$
    – Tyberius
    Commented Sep 3, 2022 at 2:22