mp-27033/Li2SnP2O7/harm

Harmonic properties

../../_images/fig_bandos_pr12251.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16421.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12251.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211950.png

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

Summary

../../_images/fig_times20779.png

(a) Computation time