mp-28163/K2PdF4/harm

Harmonic properties

../../_images/fig_bandos_pr11734.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15738.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11734.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211445.png

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

Summary

../../_images/fig_times19928.png

(a) Computation time