mp-697914/ZrP2H6O10/harm

Harmonic properties

../../_images/fig_bandos_pr4698.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6526.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4698.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24509.png

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

Summary

../../_images/fig_times8331.png

(a) Computation time