mp-6686-2/K2NaInF6/harm

Equation of state

../../_images/fig_bm3227.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6122.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8988.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6122.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25913.png

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

Summary

../../_images/fig_times11177.png

(a) Computation time