mp-558879/OsOF4/harm

Harmonic properties

../../_images/fig_bandos_pr8110.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11407.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8110.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27872.png

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

Summary

../../_images/fig_times14288.png

(a) Computation time