mp-1179500/ScF3/harm

Harmonic properties

../../_images/fig_bandos_pr16126.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20550.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16125.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215721.png

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

Summary

../../_images/fig_times26518.png

(a) Computation time