mp-773510-2/TiV2CrO10/harm

Equation of state

../../_images/fig_bm1151.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2366.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2746.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2366.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22187.png

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

Summary

../../_images/fig_times3881.png

(a) Computation time