mp-10378/Cs3Sb/harm

Harmonic properties

../../_images/fig_bandos_pr546.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos474.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo546.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2466.png

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

Summary

../../_images/fig_times811.png

(a) Computation time