mp-698296/UH12C4SN2O9/harm

Harmonic properties

../../_images/fig_bandos_pr4721.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6565.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4721.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24532.png

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

Summary

../../_images/fig_times8380.png

(a) Computation time