mp-18037-2/LiNbZnO4/harm

Equation of state

../../_images/fig_bm6868.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13753.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18132.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13753.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213381.png

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

Summary

../../_images/fig_times23066.png

(a) Computation time