mp-24195/MgP2H16O10/harm

Harmonic properties

../../_images/fig_bandos_pr12361.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16591.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12361.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212060.png

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

Summary

../../_images/fig_times20979.png

(a) Computation time