mp-630880-2/LiNd2TlMo4O16/harm

Equation of state

../../_images/fig_bm2752.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5626.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8056.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5626.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25427.png

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

Summary

../../_images/fig_times10143.png

(a) Computation time