mp-25196/VCuO4/harm

Equation of state

../../_images/fig_bm5998.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12203.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16339.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12203.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211902.png

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

Summary

../../_images/fig_times20694.png

(a) Computation time