Molecular dynamics of GeO2: Car-Parrinello simulations in the range 10-4000 K

First-principles molecular dynamics simulations have been carried out for a relatively large system consisting of 240 GeO 2 atoms at 4000 K. We have finally covered the range 3000-4000 K, completing a long simulations process aimed to obtain a high temperature GeO 2 system entirely by ab-initio simulations in the whole range 10-4000 K