mp-1191502/VInSe2O8/harm

Harmonic properties

../../_images/fig_bandos_pr15734.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20094.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15733.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215329.png

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

Summary

../../_images/fig_times25917.png

(a) Computation time