mp-19052/K3VO4/harm

Equation of state

../../_images/fig_bm6830.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13675.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18048.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13675.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213303.png

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

Summary

../../_images/fig_times22960.png

(a) Computation time