mp-558982/HgC2O2F3/harm

Harmonic properties

../../_images/fig_bandos_pr7826.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10986.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7826.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27589.png

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

Summary

../../_images/fig_times13804.png

(a) Computation time