mp-1020616/RbMgPO4/harm

Harmonic properties

../../_images/fig_bandos_pr108.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos124.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo108.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2107.png

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

Summary

../../_images/fig_times183.png

(a) Computation time