mp-18605/RbLaW2O8/harm

Harmonic properties

../../_images/fig_bandos_pr13566.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17928.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13566.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213194.png

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

Summary

../../_images/fig_times22810.png

(a) Computation time