mp-761011/Li3V3P8O29/harm

Harmonic properties

../../_images/fig_bandos_pr2934.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3674.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2934.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22754.png

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

Summary

../../_images/fig_times4962.png

(a) Computation time