mp-14364-2/Cs2LiAsO4/harm

Equation of state

../../_images/fig_bm7391.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14771.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19141.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14771.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214389.png

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

Summary

../../_images/fig_times24534.png

(a) Computation time