mp-24507/Na6Zn3P4H6O19/harm

Harmonic properties

../../_images/fig_bandos_pr12432.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16719.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12432.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212131.png

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

Summary

../../_images/fig_times21126.png

(a) Computation time