mp-1222/CrSi2/harm

Equation of state

../../_images/fig_bm258.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr731.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos593.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo731.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2635.png

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

Summary

../../_images/fig_times1039.png

(a) Computation time