mp-1192277/MnC5IO5/harm

Harmonic properties

../../_images/fig_bandos_pr15782.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20147.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15781.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215377.png

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

Summary

../../_images/fig_times25987.png

(a) Computation time