mp-1191763/KPb2C2O6F/harm

Harmonic properties

../../_images/fig_bandos_pr15748.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20106.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15747.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215343.png

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

Summary

../../_images/fig_times25935.png

(a) Computation time