mp-17161/K6CdO4/harm

Harmonic properties

../../_images/fig_bandos_pr14207.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18594.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14207.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213835.png

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

Summary

../../_images/fig_times23738.png

(a) Computation time