Where can i find atomic coordination of anatase TiO2 for DFT calculation in Quantum espersso inorder to find electronic structure?

I'm using Quantum espresso to calculate the band/electronic structure and so on, while I'd tried VNL (virtual Nano Lab) to use it database to get SCF … , I faced some errors in running , so I...

04 April 2019 4,121 4 View