Recent content by Muhammadfahad

Hello everyone Currently, I am trying to optimize CuO unit cell and CuO(1 1 1) through using gaussian interface and DFT calculation method. can somebody guide me the appropriate parameters in order to do that because so far all the basis sets and functional have failed to work so if you could...

Hello everyone I am Muhammad Fahad, a postgraduate student at the Chinese Academy of Sciences. I am interested in the molecular mechanic study of different materials, their reaction mechanisms and innate properties. Currently, I am doing an experimental and computational study of Perovskites...