mp-573196/Cs3Li2GaMo4O16/harm

Harmonic properties

../../_images/fig_bandos_pr6707.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9645.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6707.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26497.png

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

Summary

../../_images/fig_times12045.png

(a) Computation time