mp-560082-2/Ho2Ge2O7/harm

Equation of state

../../_images/fig_bm4010.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7754.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10874.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7754.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27517.png

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

Summary

../../_images/fig_times13675.png

(a) Computation time