mp-561681/CsSO3/harm

Harmonic properties

../../_images/fig_bandos_pr7436.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10463.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7436.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27200.png

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

Summary

../../_images/fig_times13169.png

(a) Computation time