mp-9178/CdSe2O5/harm

Harmonic properties

../../_images/fig_bandos_pr1381.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1297.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1381.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21235.png

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

Summary

../../_images/fig_times2079.png

(a) Computation time