mp-24229/Na2CaH10C2O11/harm

Harmonic properties

../../_images/fig_bandos_pr12371.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16600.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12371.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212070.png

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

Summary

../../_images/fig_times20992.png

(a) Computation time