mp-28369-2/GeH3Cl/harm

Equation of state

../../_images/fig_bm5765.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11827.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15839.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11827.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211538.png

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

Summary

../../_images/fig_times20064.png

(a) Computation time