mp-28280/K5V3O10/harm

Harmonic properties

../../_images/fig_bandos_pr11791.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15797.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11791.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211502.png

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

Summary

../../_images/fig_times20008.png

(a) Computation time