mp-720904-2/BaH8PtC4N4O4/harm

Harmonic properties

../../_images/fig_bandos_pr4316.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6080.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4316.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24129.png

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

Summary

../../_images/fig_times7719.png

(a) Computation time