Resolving the issue with pop_frequency calculation for polar materials #931
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LO-TO splitting is a signature of polar materials and it can only be observed in phonon dispersion after adding the non-analytical term to the dynamical matrix before solving for phonon frequencies. This is an extra step to be performed in VASP using specific tag LPHON_POLAR along with LPHON_DISPERSION and PHON_NWRITE to write it to output.
amset phonon-frequencyutility cannot read corrected phonon frequencies and eigenvectors as they are written toOUTCARfile but not tovasprun.xmlfile. This modification addresses the issue by allowing the user to provide an additional OUTCAR file containing NAC-corrected phonon frequencies and eigenvectors, without affecting the utility's previous functionality.