mp-8491/LiInP2O7/harm

Harmonic properties

../../_images/fig_bandos_pr1830.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1850.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1830.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21653.png

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

Summary

../../_images/fig_times2800.png

(a) Computation time