mp-18591-2/KZnPO4/harm

Harmonic properties

../../_images/fig_bandos_pr13562.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17924.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13562.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213190.png

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

Summary

../../_images/fig_times22806.png

(a) Computation time