mp-1880/SbF3/harm

Harmonic properties

../../_images/fig_bandos_pr235.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos243.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo235.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2212.png

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

Summary

../../_images/fig_times383.png

(a) Computation time