mp-676410/LuAgS2/harm

Equation of state

../../_images/fig_bm2590.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5302.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7587.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5302.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25107.png

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

Summary

../../_images/fig_times9556.png

(a) Computation time