mp-1190598/K2H2C2O5/harm

Harmonic properties

../../_images/fig_bandos_pr16007.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20423.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16006.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215602.png

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

Summary

../../_images/fig_times26354.png

(a) Computation time