mp-8943/PtF4/harm

Equation of state

../../_images/fig_bm614.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1657.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1591.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1657.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21490.png

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

Summary

../../_images/fig_times2481.png

(a) Computation time