mp-703444/B5H12NO12/harm

Harmonic properties

../../_images/fig_bandos_pr4426.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6181.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4426.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24239.png

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

Summary

../../_images/fig_times7868.png

(a) Computation time