mp-1105268/Ba3RhC3N3/harm

Harmonic properties

../../_images/fig_bandos_pr16209.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20662.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16208.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215802.png

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

Summary

../../_images/fig_times26685.png

(a) Computation time