mp-558244/AsI2F6/harm

Harmonic properties

../../_images/fig_bandos_pr7981.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11220.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7981.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27743.png

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

Summary

../../_images/fig_times14072.png

(a) Computation time