mp-622521/BaNd2Mo4O16/harm

Harmonic properties

../../_images/fig_bandos_pr5826.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8494.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5826.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25622.png

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

Summary

../../_images/fig_times10617.png

(a) Computation time