mp-616561/FeC5O5/harm

Harmonic properties

../../_images/fig_bandos_pr6032.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8879.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6032.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25823.png

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

Summary

../../_images/fig_times11048.png

(a) Computation time