Synopsys: interface3D(grid,gate,region,…..,)

interface3D is the NanoTCAD ViDES class whose aim is to interface the module devoted to the solution of the transport equation and the module

**. The number of arguments of interface3D are not fixed, but depends on the complexity of the device the user wants to simulate.***focused on the solution of the Poisson equation in the 3D domain***grid class must be compulsory be passed**.The other arguments to be passed can be gate and region classes. The order of the arguments in the list is not important.

The attribute of the interface3D class are the following:

**Phi : (array of double; dimension Np)**it includes the electrostatic potential defined in each point of the 3D grid**normpoisson : (double)**tollerance of the NR internal cycle in solve_Poisson**tolldomn : (double)**tollerance of the linear solver domn.**free_charge : (array of double; dimension Np)**the free charge defined in each grid point, to be included in the right term of the Poisson equation.**fixed_charge : (array of double; dimension Np)**the fixed charge defined in each grid point, to be included in the right term of the Poisson equation.**normd : (double) :**tollerance of the outer cycle of the solve_self_consistent function.**Phiold : (array of double; dimension Np)**the electrostatic potential computed at the beginning of the self-consistent solution of the NEGF-Poisson equation.**modespace : (string)**if equal to “yes”, solve_self_consistent compute NEGF within the mode space approach (if available)**MPI : (string)**if equal to “yes”, solve_self_consistent compute NEGF with MPI (if available)*only*within the real space, parallelizing over the energies.**MPI_kt : (string)**if equal to “yes”, solve_self_consistent compute NEGF with MPI (if available)*only*within the real space, parallelizing over the Brillouin zone.**eps : (array of double; dimension Np)**the relative dielectric constant defined in correspondence of each grid point.**boundary_conditions: (array of double; dimension Np)**the boundary conditions defined in correspondence of each grid point. In particular:- if boudary_conditions is smaller than 1000, Dirichlet boundary conditions are imposed in correspondence of the grid point (i.e the grid point is in correspondence of a metal gate) boundary_conditions is equal to the Fermi level of the gate.
- If boundary_conditions=1001, the grid points belongs to the surface with x = xmin, where xmin is the least abscissa along x, and where null Neumann boundary conditions are imposed.
- If boundary_conditions=1002, the grid points belongs to the surface with x = xmax, where xmax is the largest abscissa along x, and where null Neumann boundary conditions are imposed.
- If boundary_conditions=1003, the grid points belongs to the surface with y = ymin, where ymin is the least abscissa along y, and where null Neumann boundary conditions are imposed.
- If boundary_conditions=1004, the grid points belongs to the surface with y = ymax, where ymax is the largest abscissa along y, and where null Neumann boundary conditions are imposed.
- If boundary_conditions=1005, the grid points belongs to the surface with z = zmin, where zmin is the least abscissa along z, and where null Neumann boundary conditions are imposed.
- If boundary_conditions=1006, the grid points belongs to the surface with z = zmax, where zmax is the largest abscissa along z, and where null Neumann boundary conditions are imposed.
- If boundary_conditions=2000, the grid points belong to the inner of the structure and the Poisson equation is solved.