mp-780724/LiSbP2O7/harm

Harmonic properties

../../_images/fig_bandos_pr2000.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2037.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2000.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21823.png

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

Summary

../../_images/fig_times3066.png

(a) Computation time