mp-17502-2/SrVPO6/harm

Equation of state

../../_images/fig_bm6976.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13937.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18324.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13937.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213565.png

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

Summary

../../_images/fig_times23347.png

(a) Computation time