mp-699213/CsZn2P2HO8/harm

Harmonic properties

../../_images/fig_bandos_pr4750.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6608.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4750.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24561.png

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

Summary

../../_images/fig_times8424.png

(a) Computation time