mp-29193-2/Nb2Se4O13/harm

Equation of state

../../_images/fig_bm5581.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11433.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15426.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11433.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211149.png

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

Summary

../../_images/fig_times19493.png

(a) Computation time