mp-26600-2/MoP2O8/harm

Harmonic properties

../../_images/fig_bandos_pr12233.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16391.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12233.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211932.png

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

Summary

../../_images/fig_times20749.png

(a) Computation time