mp-773494/CsH5S2N2O6/harm

Harmonic properties

../../_images/fig_bandos_pr2363.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2743.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2363.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22184.png

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

Summary

../../_images/fig_times3878.png

(a) Computation time