mp-696221/KAlH8N4/harm

Equation of state

../../_images/fig_bm2412.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4879.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6806.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4879.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24688.png

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

Summary

../../_images/fig_times8663.png

(a) Computation time