mp-707900/PrH20S4N5O16/harm

Harmonic properties

../../_images/fig_bandos_pr4278.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5961.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4278.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24091.png

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

Summary

../../_images/fig_times7598.png

(a) Computation time