mp-760228/CrOF4/harm

Harmonic properties

../../_images/fig_bandos_pr2874.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3586.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2874.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22695.png

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

Summary

../../_images/fig_times4860.png

(a) Computation time