mp-698318/CuSi2H18C9O2/harm

Harmonic properties

../../_images/fig_bandos_pr4723.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6569.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4723.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24534.png

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

Summary

../../_images/fig_times8384.png

(a) Computation time