mp-733468/K2PHO4/harm

Harmonic properties

../../_images/fig_bandos_pr4063.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5444.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4063.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23876.png

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

Summary

../../_images/fig_times7058.png

(a) Computation time