mp-867519/MoH18C5N4O4/harm

Harmonic properties

../../_images/fig_bandos_pr1325.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1244.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1325.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21181.png

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

Summary

../../_images/fig_times1991.png

(a) Computation time