mp-559155/LiMg4V3O12/harm

Harmonic properties

../../_images/fig_bandos_pr7872.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11047.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7872.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27635.png

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

Summary

../../_images/fig_times13870.png

(a) Computation time