mp-1190417/YVSe2O8/harm

Harmonic properties

../../_images/fig_bandos_pr15983.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20392.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15982.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215578.png

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

Summary

../../_images/fig_times26316.png

(a) Computation time