mp-17035/K3ScP2O8/harm

Harmonic properties

../../_images/fig_bandos_pr14167.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18565.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14167.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213795.png

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

Summary

../../_images/fig_times23685.png

(a) Computation time