mp-24234-2/MoH8S2N2O2/harm

Harmonic properties

../../_images/fig_bandos_pr12376.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16607.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12376.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212075.png

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

Summary

../../_images/fig_times20999.png

(a) Computation time