mp-39770/Zr2P3H4NO12/harm

Harmonic properties

../../_images/fig_bandos_pr10280.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14220.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10280.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210030.png

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

Summary

../../_images/fig_times17765.png

(a) Computation time