mp-1190911/Rb3V5O14/harm

Harmonic properties

../../_images/fig_bandos_pr16030.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20446.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16029.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215625.png

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

Summary

../../_images/fig_times26385.png

(a) Computation time