mp-558381/PtCI2O/harm

Harmonic properties

../../_images/fig_bandos_pr8009.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11266.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8009.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27771.png

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

Summary

../../_images/fig_times14124.png

(a) Computation time