mp-696752-2/KPH2O4/harm

Harmonic properties

../../_images/fig_bandos_pr4920.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6868.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4920.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24729.png

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

Summary

../../_images/fig_times8731.png

(a) Computation time