mp-26981/LiMnP2O7/harm

Equation of state

../../_images/fig_bm6027.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12246.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16416.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12246.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211945.png

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

Summary

../../_images/fig_times20774.png

(a) Computation time