mp-773050/Li2CrO4/harm

Harmonic properties

../../_images/fig_bandos_pr2340.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2705.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2340.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22161.png

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

Summary

../../_images/fig_times3839.png

(a) Computation time