mp-625281/UH2O4/harm

Harmonic properties

../../_images/fig_bandos_pr5872.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8583.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5872.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25668.png

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

Summary

../../_images/fig_times10717.png

(a) Computation time