mp-23363/NaAlCl4/harm

Harmonic properties

../../_images/fig_bandos_pr12641.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17018.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12641.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212338.png

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

Summary

../../_images/fig_times21476.png

(a) Computation time