mp-19453-2/Te2MoO7/harm

Equation of state

../../_images/fig_bm6678.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13377.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17729.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13377.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213017.png

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

Summary

../../_images/fig_times22527.png

(a) Computation time