mp-756478/WO3/harm

Equation of state

../../_images/fig_bm1552.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3312.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4385.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3312.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23131.png

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

Summary

../../_images/fig_times5734.png

(a) Computation time