mp-15865/RbScAsO4F/harm

Harmonic properties

../../_images/fig_bandos_pr14350.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18732.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14350.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213975.png

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

Summary

../../_images/fig_times23941.png

(a) Computation time