mp-864766/NaMgSO4F/harm

Harmonic properties

../../_images/fig_bandos_pr1547.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1459.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1547.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21392.png

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

Summary

../../_images/fig_times2311.png

(a) Computation time