mp-27462-2/AlPS4/harm

Harmonic properties

../../_images/fig_bandos_pr12110.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16194.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12110.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211811.png

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

Summary

../../_images/fig_times20513.png

(a) Computation time