mp-1194001/Pr4PClO8/harm

Harmonic properties

../../_images/fig_bandos_pr15849.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20257.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15848.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215444.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times26118.png

(a) Computation time