mp-19123/Rb2LiVO4/harm

Equation of state

../../_images/fig_bm6834.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13687.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18057.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13687.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213315.png

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

Summary

../../_images/fig_times22975.png

(a) Computation time