mp-20105/LiInMo2O8/harm

Harmonic properties

../../_images/fig_bandos_pr13432.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17804.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13432.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213069.png

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

Summary

../../_images/fig_times22622.png

(a) Computation time