mp-18463/RbZnPO4/harm

Harmonic properties

../../_images/fig_bandos_pr13878.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18278.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13878.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213506.png

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

Summary

../../_images/fig_times23268.png

(a) Computation time