mp-10517-2/LiScP2O7/harm

Harmonic properties

../../_images/fig_bandos_pr597.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos520.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo597.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2514.png

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

Summary

../../_images/fig_times876.png

(a) Computation time