mp-27926/AsClF8/harm

Harmonic properties

../../_images/fig_bandos_pr11958.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16014.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11958.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211661.png

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

Summary

../../_images/fig_times20288.png

(a) Computation time