mp-1200253/CsMoN3O11/harm

Harmonic properties

../../_images/fig_bandos_pr15538.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19937.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15537.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215133.png

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

Summary

../../_images/fig_times25682.png

(a) Computation time