mp-780184/Na2Cr4O13/harm

Harmonic properties

../../_images/fig_bandos_pr1969.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1981.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1969.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21792.png

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

Summary

../../_images/fig_times3001.png

(a) Computation time