mp-976313/K3VS2O10/harm

Harmonic properties

../../_images/fig_bandos_pr1036.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos969.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1036.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2904.png

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

Summary

../../_images/fig_times1551.png

(a) Computation time