Hi, Leila. You can use the Denchar (one of the Siesta utils) to generate the charge density distribution. In the input file of you will define the region in the space that you want to calculate the charge density and the number of discretization points, so you can build your own XYZ grid and choose the points that are important.
Good luck! Yours, Weslley. -- Weslley Souza Patrocinio Pesquisador Departamento de Nanotecnologia Centro de Pesquisas Avançadas Wernher von Braun e-mail: [email protected] skype: weslley.vonbraun
