mp-672184/RuC4I2O4/harm

Harmonic properties

../../_images/fig_bandos_pr5382.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7753.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5382.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25187.png

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

Summary

../../_images/fig_times9742.png

(a) Computation time