mp-14288/Sr3P4/harm

Harmonic properties

../../_images/fig_bandos_pr14743.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19114.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14743.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214361.png

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

Summary

../../_images/fig_times24499.png

(a) Computation time