mp-18911/LiVP2O7/harm

Equation of state

../../_images/fig_bm6812.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13639.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18005.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13639.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213267.png

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

Summary

../../_images/fig_times22908.png

(a) Computation time