mp-698432/CrSb2H12C8O4/harm

Harmonic properties

../../_images/fig_bandos_pr4735.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6584.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4735.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24546.png

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

Summary

../../_images/fig_times8399.png

(a) Computation time