mp-757203-2/NaPH4SO8/harm

Harmonic properties

../../_images/fig_bandos_pr3136.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4100.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3136.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22955.png

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

Summary

../../_images/fig_times5418.png

(a) Computation time