mp-1190751/Cs2H2C2O5/harm

Harmonic properties

../../_images/fig_bandos_pr16016.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20433.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16015.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215611.png

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

Summary

../../_images/fig_times26368.png

(a) Computation time