mp-630859/Mn2C7S2O7/harm

Harmonic properties

../../_images/fig_bandos_pr5622.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8052.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5622.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25423.png

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

Summary

../../_images/fig_times10139.png

(a) Computation time