mp-27754/WCl4O/harm

Equation of state

../../_images/fig_bm5798.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11885.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15920.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11885.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211596.png

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

Summary

../../_images/fig_times20167.png

(a) Computation time