mp-697913/HfP2H6O10/harm

Harmonic properties

../../_images/fig_bandos_pr4697.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6525.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4697.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24508.png

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

Summary

../../_images/fig_times8330.png

(a) Computation time