mp-27462/AlPS4/harm

Equation of state

../../_images/fig_bm5932.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12109.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16193.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12109.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211810.png

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

Summary

../../_images/fig_times20512.png

(a) Computation time