mp-28256-2/V2Se9/harm

Equation of state

../../_images/fig_bm5746.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11778.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15788.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11778.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211489.png

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

Summary

../../_images/fig_times19991.png

(a) Computation time