mp-27405-2/SnAsF7/harm

Harmonic properties

../../_images/fig_bandos_pr12079.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16157.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12079.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211781.png

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

Summary

../../_images/fig_times20468.png

(a) Computation time