mp-1195650/Na2CaH4C2O8/harm

Harmonic properties

../../_images/fig_bandos_pr15527.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19915.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15526.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215122.png

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

Summary

../../_images/fig_times25658.png

(a) Computation time