mp-28256/V2Se9/harm

Harmonic properties

../../_images/fig_bandos_pr11777.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15787.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11777.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211488.png

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

Summary

../../_images/fig_times19990.png

(a) Computation time