mp-6146-2/LiNbZnO4/harm

Equation of state

../../_images/fig_bm3320.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6283.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9146.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6283.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26073.png

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

Summary

../../_images/fig_times11397.png

(a) Computation time