mp-2412/LiP5/harm

Harmonic properties

../../_images/fig_bandos_pr13200.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17593.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13200.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212856.png

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

Summary

../../_images/fig_times22286.png

(a) Computation time