mp-746364-2/CrH12PdN4O4/harm

Harmonic properties

../../_images/fig_bandos_pr4129.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5592.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4129.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23942.png

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

Summary

../../_images/fig_times7212.png

(a) Computation time