mp-703308/CsGaP3HO10/harm

Harmonic properties

../../_images/fig_bandos_pr4420.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6169.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4420.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24233.png

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

Summary

../../_images/fig_times7856.png

(a) Computation time