mp-776431/BeCrO4/harm

Harmonic properties

../../_images/fig_bandos_pr2283.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2576.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2283.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22104.png

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

Summary

../../_images/fig_times3702.png

(a) Computation time