mp-1025377-2/CdAg2I4/harm

Harmonic properties

../../_images/fig_bandos_pr17161.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21544.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17160.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216703.png

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

Summary

../../_images/fig_times27990.png

(a) Computation time