mp-780724-2/LiSbP2O7/harm

Equation of state

../../_images/fig_bm840.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2001.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2038.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2001.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21824.png

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

Summary

../../_images/fig_times3067.png

(a) Computation time