mp-24227-2/H8PtN2Cl6/harm

Equation of state

../../_images/fig_bm6113.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12370.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16599.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12370.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212069.png

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

Summary

../../_images/fig_times20991.png

(a) Computation time