mp-775301-2/LiVSi6O15/harm

Equation of state

../../_images/fig_bm1205.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2445.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2880.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2445.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22266.png

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

Summary

../../_images/fig_times4021.png

(a) Computation time