mp-560210/CaH2C2O4/harm

Harmonic properties

../../_images/fig_bandos_pr7780.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10923.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7780.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27543.png

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

Summary

../../_images/fig_times13730.png

(a) Computation time