mp-768207/Li2SbPCO7/harm

Harmonic properties

../../_images/fig_bandos_pr2811.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3490.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2811.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22632.png

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

Summary

../../_images/fig_times4738.png

(a) Computation time