mp-687091/Rb2U2Mo3O16/harm

Harmonic properties

../../_images/fig_bandos_pr5038.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7099.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5038.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24843.png

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

Summary

../../_images/fig_times8993.png

(a) Computation time