mp-555349/La2CO5/harm

Equation of state

../../_images/fig_bm4496.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8907.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12561.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8907.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28668.png

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

Summary

../../_images/fig_times15617.png

(a) Computation time