mp-614185-2/PbS2N2/harm

Equation of state

../../_images/fig_bm3150.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6002.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8840.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6002.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25795.png

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

Summary

../../_images/fig_times10997.png

(a) Computation time