mp-15074/SrP2Ir2/harm

Harmonic properties

../../_images/fig_bandos_pr14583.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18962.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14583.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214202.png

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

Summary

../../_images/fig_times24277.png

(a) Computation time