mp-24144/Na5ScH4C4O14/harm

Harmonic properties

../../_images/fig_bandos_pr12350.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16570.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12350.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212049.png

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

Summary

../../_images/fig_times20956.png

(a) Computation time