mp-557432-2/GeClO2F5/harm

Equation of state

../../_images/fig_bm4276.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8436.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11847.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8436.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28198.png

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

Summary

../../_images/fig_times14801.png

(a) Computation time