mp-554548/BaMo2Se2O11/harm

Harmonic properties

../../_images/fig_bandos_pr9020.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12721.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9020.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28782.png

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

Summary

../../_images/fig_times15799.png

(a) Computation time