When conducting phonon calculations in VASP using DFPT (Density Functional Perturbation Theory), how do the results obtained using KPOINTS and QPOINTS files compare?

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    $\begingroup$ +1 but please see: mattermodeling.meta.stackexchange.com/q/421/5 $\endgroup$ Commented Mar 25 at 8:25
  • $\begingroup$ Aren't they completely two different concept? Afaik, k-points grid is used to sample electronic Brillouin zone (Bloch wavevectors) while q-point grid is used to sample phonon Brillouin zone (phonon wavevectors). This question might help you in terms of choosing q-points $\endgroup$ Commented Mar 25 at 15:31
  • $\begingroup$ @AbdulMuhaymin while running vasp calculations should we use QPOINTS file instead of KPOINTS along with INCAR,POSCAR and POTCAR? $\endgroup$ Commented Mar 26 at 6:03


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