mp-761029/Li3V3P8O29/harm

Harmonic properties

../../_images/fig_bandos_pr2936.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3683.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2936.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22756.png

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

Summary

../../_images/fig_times4971.png

(a) Computation time