mp-746778/MnHC3O4/harm

Harmonic properties

../../_images/fig_bandos_pr4130.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5593.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4130.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23943.png

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

Summary

../../_images/fig_times7213.png

(a) Computation time