mp-705314/Li3V3P8O29/harm

Harmonic properties

../../_images/fig_bandos_pr4440.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6219.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4440.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24253.png

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

Summary

../../_images/fig_times7906.png

(a) Computation time