You can output the potential real-space grid in a netcdf or binary fortran file. Then you need to subtract the potential field at bias, and the one at zero bias. I.e. V(0.5 eV) - V(0 eV), where V = potential field. There are various utilities in the siesta package that lets you do this.
My recommendation: 1. Output to netcdf files, add these flags: SaveElectrostaticPotential T SaveTotalPotential T 2. Create a small python script which reads in the netcdf data and subtracts them. 3. Decide which type of potential profile you need? a) The profile in a plane b) The profile along a line c) Something different However, my recommendation is based on how I would do it, there maybe utilities that can already do this for you. Kind regards Nick 2013/12/4 Sebastian Caicedo D. <[email protected]> > Dear all, > > I'm interested in drawing a potential profile in the transport (just like > the ones in the paper of Brandbyge 2002) for the structure I'm working on, > and also perhaps a plot of 1D charge density, to get an idea of the physics > behind the transport characteristics of my structure. > > So far I haven't been able to do that, and I wonder if any of you could > help me. > > Thanks in advance > Sebastian Caicedo Davila >
