mp-19428/K2RbTbV2O8/harm

Equation of state

../../_images/fig_bm6862.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13742.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18117.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13742.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213370.png

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

Summary

../../_images/fig_times23047.png

(a) Computation time