mp-649950/RuC3Br2O3/harm

Harmonic properties

../../_images/fig_bandos_pr5318.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7625.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5318.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25123.png

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

Summary

../../_images/fig_times9596.png

(a) Computation time