mp-19428-2/K2RbTbV2O8/harm

Harmonic properties

../../_images/fig_bandos_pr13743.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18118.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13743.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213371.png

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

Summary

../../_images/fig_times23048.png

(a) Computation time