mp-15339/Sr3As4/harm

Harmonic properties

../../_images/fig_bandos_pr14627.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19006.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14627.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214246.png

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

Summary

../../_images/fig_times24333.png

(a) Computation time