mp-975/SF6/harm

Harmonic properties

../../_images/fig_bandos_pr482.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos431.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo482.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2408.png

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

Summary

../../_images/fig_times733.png

(a) Computation time