mp-676038-2/Ga5P3S3/harm

Equation of state

../../_images/fig_bm2582.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5284.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7549.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5284.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25089.png

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

Summary

../../_images/fig_times9512.png

(a) Computation time