mp-735777/PrC19S6N9O2/harm

Harmonic properties

../../_images/fig_bandos_pr4105.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5539.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4105.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23918.png

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

Summary

../../_images/fig_times7156.png

(a) Computation time