mp-561407-2/RbGaS2/harm

Equation of state

../../_images/fig_bm3893.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7388.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10405.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7388.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27152.png

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

Summary

../../_images/fig_times13095.png

(a) Computation time