mp-1191037/AgAsSe3F6/harm

Harmonic properties

../../_images/fig_bandos_pr16049.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20466.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16048.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215644.png

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

Summary

../../_images/fig_times26409.png

(a) Computation time