mp-572921/Cs2Ga3As5O18/harm

Harmonic properties

../../_images/fig_bandos_pr6702.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9640.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6702.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26492.png

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

Summary

../../_images/fig_times12037.png

(a) Computation time