mp-555127/KCa10V7O28/harm

Harmonic properties

../../_images/fig_bandos_pr8848.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12473.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8848.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28609.png

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

Summary

../../_images/fig_times15521.png

(a) Computation time