mp-23097-2/K2OsCl4O2/harm

Equation of state

../../_images/fig_bm6434.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12878.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17274.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12878.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212574.png

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

Summary

../../_images/fig_times21816.png

(a) Computation time