mp-796331/MoO5/harm

Harmonic properties

../../_images/fig_bandos_pr2017.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2085.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2017.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21840.png

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

Summary

../../_images/fig_times3116.png

(a) Computation time