mp-974586/Rb2MgH4/harm

Harmonic properties

../../_images/fig_bandos_pr1021.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos949.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1021.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2890.png

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

Summary

../../_images/fig_times1522.png

(a) Computation time