mp-1194650/CsH3CN2O/harm

Harmonic properties

../../_images/fig_bandos_pr15879.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20290.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15878.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215474.png

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

Summary

../../_images/fig_times26165.png

(a) Computation time