mp-996959-2/LiAuO2/harm

Equation of state

../../_images/fig_bm326.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr907.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos834.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo907.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2798.png

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

Summary

../../_images/fig_times1351.png

(a) Computation time